NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
type: datablock
alternative label: 2SOC
link to mmcif: 2SOC.cif.gz
link to pdbml: 2SOC.xml.gz
link to pdbml noatom: 2SOC-noatom.xml.gz
link to pdbml extatom: 2SOC-extatom.xml.gz
link to doi: doi:10.2210/pdb2SOC/pdb
datablock name: 2SOC-noatom
has atom sites category: atom sitesCategory
has atom type category: atom typeCategory
has audit author category: audit authorCategory
has audit conform category: audit conformCategory
has cell category: cellCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has database 2 category: database 2Category
has database PDB matrix category: database PDB matrixCategory
has entity category: entityCategory
has entity name com category: entity name comCategory
has entity poly category: entity polyCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has exptl category: exptlCategory
has pdbx audit revision category category: pdbx audit revision categoryCategory
has pdbx audit revision details category: pdbx audit revision detailsCategory
has pdbx audit revision group category: pdbx audit revision groupCategory
has pdbx audit revision history category: pdbx audit revision historyCategory
has pdbx audit revision item category: pdbx audit revision itemCategory
has pdbx database related category: pdbx database relatedCategory
has pdbx database status category: pdbx database statusCategory
has pdbx entity src syn category: pdbx entity src synCategory
has pdbx nmr ensemble category: pdbx nmr ensembleCategory
has pdbx nmr exptl category: pdbx nmr exptlCategory
has pdbx nmr exptl sample conditions category: pdbx nmr exptl sample conditionsCategory
has pdbx nmr refine category: pdbx nmr refineCategory
has pdbx nmr spectrometer category: pdbx nmr spectrometerCategory
has pdbx poly seq scheme category: pdbx poly seq schemeCategory
has pdbx struct assembly category: pdbx struct assemblyCategory
has pdbx struct assembly gen category: pdbx struct assembly genCategory
has pdbx struct mod residue category: pdbx struct mod residueCategory
has pdbx struct oper list category: pdbx struct oper listCategory
has pdbx validate close contact category: pdbx validate close contactCategory
has pdbx validate torsion category: pdbx validate torsionCategory
has struct category: structCategory
has struct asym category: struct asymCategory
has struct biol category: struct biolCategory
has struct conf category: struct confCategory
has struct conf type category: struct conf typeCategory
has struct conn category: struct connCategory
has struct conn type category: struct conn typeCategory
has struct keywords category: struct keywordsCategory
has struct ref category: struct refCategory
has struct ref seq category: struct ref seqCategory
has symmetry category: symmetryCategory

2SOC
type: atom sites
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
atom sites.entry id: 2SOC
atom sites.fract transf matrix11: 1
atom sites.fract transf matrix12: 0
atom sites.fract transf matrix13: 0
atom sites.fract transf matrix21: 0
atom sites.fract transf matrix22: 1
atom sites.fract transf matrix23: 0
atom sites.fract transf matrix31: 0
atom sites.fract transf matrix32: 0
atom sites.fract transf matrix33: 1
atom sites.fract transf vector1: 0
atom sites.fract transf vector2: 0
atom sites.fract transf vector3: 0

2SOC
referenced by atom sites: 2SOC
referenced by cell: 2SOC
referenced by database PDB matrix: 2SOC
type: entry
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
entry.id: 2SOC
referenced by exptl: 2SOC,SOLUTION NMR
referenced by struct: 2SOC
referenced by struct keywords: 2SOC
referenced by symmetry: 2SOC
referenced by pdbx database status: 2SOC
referenced by pdbx nmr ensemble: 2SOC
referenced by pdbx nmr refine: 2SOC,1

http://rdf.wwpdb.org/pdb/2SOC/atom_type/C
type: atom type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
atom type.symbol: C

http://rdf.wwpdb.org/pdb/2SOC/atom_type/H
type: atom type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
atom type.symbol: H

http://rdf.wwpdb.org/pdb/2SOC/atom_type/N
type: atom type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
atom type.symbol: N

http://rdf.wwpdb.org/pdb/2SOC/atom_type/O
type: atom type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
atom type.symbol: O

http://rdf.wwpdb.org/pdb/2SOC/atom_type/S
type: atom type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
atom type.symbol: S

http://rdf.wwpdb.org/pdb/2SOC/audit_author/1
type: audit author
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
audit author.pdbx ordinal: 1
audit author.name: Melacini, G.

http://rdf.wwpdb.org/pdb/2SOC/audit_author/2
type: audit author
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
audit author.pdbx ordinal: 2
audit author.name: Zhu, Q.

http://rdf.wwpdb.org/pdb/2SOC/audit_author/3
type: audit author
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
audit author.pdbx ordinal: 3
audit author.name: Goodman, M.

mmcif pdbx.dic,5.381
type: audit conform
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
audit conform.dict name: mmcif_pdbx.dic
audit conform.dict version: 5.381
audit conform.dict location: http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic

2SOC
type: cell
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
cell.entry id: 2SOC
cell.z PDB: 1
cell.angle alpha: 90
cell.angle beta: 90
cell.angle gamma: 90
cell.length a: 1
cell.length b: 1
cell.length c: 1

CYS
type: chem comp
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
chem comp.id: CYS
chem comp.formula: C3 H7 N O2 S
chem comp.formula weight: 121.158
chem comp.mon nstd flag: y
chem comp.name: CYSTEINE
chem comp.type: L-peptide linking
link to chem comp: CYS
referenced by chem comp atom: HXT,CYS
referenced by chem comp bond: OXT,HXT,CYS
referenced by entity poly seq: 1,CYS,7
referenced by chem comp atom: N,CYS
referenced by chem comp atom: CA,CYS
referenced by chem comp atom: C,CYS
referenced by chem comp atom: O,CYS
referenced by chem comp atom: CB,CYS
referenced by chem comp atom: SG,CYS
referenced by chem comp atom: OXT,CYS
referenced by chem comp atom: H,CYS
referenced by chem comp atom: H2,CYS
referenced by chem comp atom: HA,CYS
referenced by chem comp atom: HB2,CYS
referenced by chem comp atom: HB3,CYS
referenced by chem comp atom: HG,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: N,H,CYS
referenced by chem comp bond: N,H2,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: CA,CB,CYS
referenced by chem comp bond: CA,HA,CYS
referenced by chem comp bond: C,O,CYS
referenced by chem comp bond: C,OXT,CYS
referenced by chem comp bond: CB,SG,CYS
referenced by chem comp bond: CB,HB2,CYS
referenced by chem comp bond: CB,HB3,CYS
referenced by chem comp bond: SG,HG,CYS
referenced by entity poly seq: 1,CYS,2

DPN
type: chem comp
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
chem comp.id: DPN
chem comp.formula: C9 H11 N O2
chem comp.formula weight: 165.189
chem comp.name: D-PHENYLALANINE
chem comp.type: D-peptide linking
link to chem comp: DPN
referenced by chem comp atom: HZ,DPN
referenced by chem comp bond: CZ,HZ,DPN
referenced by entity poly seq: 1,DPN,1
referenced by chem comp atom: N,DPN
referenced by chem comp atom: CA,DPN
referenced by chem comp atom: C,DPN
referenced by chem comp atom: O,DPN
referenced by chem comp atom: OXT,DPN
referenced by chem comp atom: CB,DPN
referenced by chem comp atom: CG,DPN
referenced by chem comp atom: CD1,DPN
referenced by chem comp atom: CD2,DPN
referenced by chem comp atom: CE1,DPN
referenced by chem comp atom: CE2,DPN
referenced by chem comp atom: CZ,DPN
referenced by chem comp atom: H,DPN
referenced by chem comp atom: H2,DPN
referenced by chem comp atom: HA,DPN
referenced by chem comp atom: HXT,DPN
referenced by chem comp atom: HB2,DPN
referenced by chem comp atom: HB3,DPN
referenced by chem comp atom: HD1,DPN
referenced by chem comp atom: HD2,DPN
referenced by chem comp atom: HE1,DPN
referenced by chem comp atom: HE2,DPN
referenced by chem comp bond: N,CA,DPN
referenced by chem comp bond: N,H,DPN
referenced by chem comp bond: N,H2,DPN
referenced by chem comp bond: CA,C,DPN
referenced by chem comp bond: CA,CB,DPN
referenced by chem comp bond: CA,HA,DPN
referenced by chem comp bond: C,O,DPN
referenced by chem comp bond: C,OXT,DPN
referenced by chem comp bond: OXT,HXT,DPN
referenced by chem comp bond: CB,CG,DPN
referenced by chem comp bond: CB,HB2,DPN
referenced by chem comp bond: CB,HB3,DPN
referenced by chem comp bond: CG,CD1,DPN
referenced by chem comp bond: CG,CD2,DPN
referenced by chem comp bond: CD1,CE1,DPN
referenced by chem comp bond: CD1,HD1,DPN
referenced by chem comp bond: CD2,CE2,DPN
referenced by chem comp bond: CD2,HD2,DPN
referenced by chem comp bond: CE1,CZ,DPN
referenced by chem comp bond: CE1,HE1,DPN
referenced by chem comp bond: CE2,CZ,DPN
referenced by chem comp bond: CE2,HE2,DPN

DTR
type: chem comp
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
chem comp.id: DTR
chem comp.formula: C11 H12 N2 O2
chem comp.formula weight: 204.225
chem comp.name: D-TRYPTOPHAN
chem comp.type: D-peptide linking
link to chem comp: DTR
referenced by chem comp atom: HXT,DTR
referenced by chem comp bond: OXT,HXT,DTR
referenced by entity poly seq: 1,DTR,4
referenced by chem comp atom: N,DTR
referenced by chem comp atom: CA,DTR
referenced by chem comp atom: CB,DTR
referenced by chem comp atom: CG,DTR
referenced by chem comp atom: CD1,DTR
referenced by chem comp atom: NE1,DTR
referenced by chem comp atom: CE2,DTR
referenced by chem comp atom: CZ2,DTR
referenced by chem comp atom: CH2,DTR
referenced by chem comp atom: CZ3,DTR
referenced by chem comp atom: CE3,DTR
referenced by chem comp atom: CD2,DTR
referenced by chem comp atom: C,DTR
referenced by chem comp atom: O,DTR
referenced by chem comp atom: OXT,DTR
referenced by chem comp atom: H,DTR
referenced by chem comp atom: H2,DTR
referenced by chem comp atom: HA,DTR
referenced by chem comp atom: HB2,DTR
referenced by chem comp atom: HB3,DTR
referenced by chem comp atom: HD1,DTR
referenced by chem comp atom: HE1,DTR
referenced by chem comp atom: HZ2,DTR
referenced by chem comp atom: HH2,DTR
referenced by chem comp atom: HZ3,DTR
referenced by chem comp atom: HE3,DTR
referenced by chem comp bond: N,CA,DTR
referenced by chem comp bond: N,H,DTR
referenced by chem comp bond: N,H2,DTR
referenced by chem comp bond: CA,CB,DTR
referenced by chem comp bond: CA,C,DTR
referenced by chem comp bond: CA,HA,DTR
referenced by chem comp bond: CB,CG,DTR
referenced by chem comp bond: CB,HB2,DTR
referenced by chem comp bond: CB,HB3,DTR
referenced by chem comp bond: CG,CD1,DTR
referenced by chem comp bond: CG,CD2,DTR
referenced by chem comp bond: CD1,NE1,DTR
referenced by chem comp bond: CD1,HD1,DTR
referenced by chem comp bond: NE1,CE2,DTR
referenced by chem comp bond: NE1,HE1,DTR
referenced by chem comp bond: CE2,CZ2,DTR
referenced by chem comp bond: CE2,CD2,DTR
referenced by chem comp bond: CZ2,CH2,DTR
referenced by chem comp bond: CZ2,HZ2,DTR
referenced by chem comp bond: CH2,CZ3,DTR
referenced by chem comp bond: CH2,HH2,DTR
referenced by chem comp bond: CZ3,CE3,DTR
referenced by chem comp bond: CZ3,HZ3,DTR
referenced by chem comp bond: CE3,CD2,DTR
referenced by chem comp bond: CE3,HE3,DTR
referenced by chem comp bond: C,O,DTR
referenced by chem comp bond: C,OXT,DTR

LYS
type: chem comp
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
chem comp.id: LYS
chem comp.formula: C6 H15 N2 O2 1
chem comp.formula weight: 147.195
chem comp.mon nstd flag: y
chem comp.name: LYSINE
chem comp.type: L-peptide linking
link to chem comp: LYS
referenced by chem comp atom: HXT,LYS
referenced by chem comp bond: OXT,HXT,LYS
referenced by entity poly seq: 1,LYS,5
referenced by chem comp atom: N,LYS
referenced by chem comp atom: CA,LYS
referenced by chem comp atom: C,LYS
referenced by chem comp atom: O,LYS
referenced by chem comp atom: CB,LYS
referenced by chem comp atom: CG,LYS
referenced by chem comp atom: CD,LYS
referenced by chem comp atom: CE,LYS
referenced by chem comp atom: NZ,LYS
referenced by chem comp atom: OXT,LYS
referenced by chem comp atom: H,LYS
referenced by chem comp atom: H2,LYS
referenced by chem comp atom: HA,LYS
referenced by chem comp atom: HB2,LYS
referenced by chem comp atom: HB3,LYS
referenced by chem comp atom: HG2,LYS
referenced by chem comp atom: HG3,LYS
referenced by chem comp atom: HD2,LYS
referenced by chem comp atom: HD3,LYS
referenced by chem comp atom: HE2,LYS
referenced by chem comp atom: HE3,LYS
referenced by chem comp atom: HZ1,LYS
referenced by chem comp atom: HZ2,LYS
referenced by chem comp atom: HZ3,LYS
referenced by chem comp bond: N,CA,LYS
referenced by chem comp bond: N,H,LYS
referenced by chem comp bond: N,H2,LYS
referenced by chem comp bond: CA,C,LYS
referenced by chem comp bond: CA,CB,LYS
referenced by chem comp bond: CA,HA,LYS
referenced by chem comp bond: C,O,LYS
referenced by chem comp bond: C,OXT,LYS
referenced by chem comp bond: CB,CG,LYS
referenced by chem comp bond: CB,HB2,LYS
referenced by chem comp bond: CB,HB3,LYS
referenced by chem comp bond: CG,CD,LYS
referenced by chem comp bond: CG,HG2,LYS
referenced by chem comp bond: CG,HG3,LYS
referenced by chem comp bond: CD,CE,LYS
referenced by chem comp bond: CD,HD2,LYS
referenced by chem comp bond: CD,HD3,LYS
referenced by chem comp bond: CE,NZ,LYS
referenced by chem comp bond: CE,HE2,LYS
referenced by chem comp bond: CE,HE3,LYS
referenced by chem comp bond: NZ,HZ1,LYS
referenced by chem comp bond: NZ,HZ2,LYS
referenced by chem comp bond: NZ,HZ3,LYS

PHE
type: chem comp
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
chem comp.id: PHE
chem comp.formula: C9 H11 N O2
chem comp.formula weight: 165.189
chem comp.mon nstd flag: y
chem comp.name: PHENYLALANINE
chem comp.type: L-peptide linking
link to chem comp: PHE
referenced by chem comp atom: HXT,PHE
referenced by chem comp bond: OXT,HXT,PHE
referenced by entity poly seq: 1,PHE,3
referenced by chem comp atom: N,PHE
referenced by chem comp atom: CA,PHE
referenced by chem comp atom: C,PHE
referenced by chem comp atom: O,PHE
referenced by chem comp atom: CB,PHE
referenced by chem comp atom: CG,PHE
referenced by chem comp atom: CD1,PHE
referenced by chem comp atom: CD2,PHE
referenced by chem comp atom: CE1,PHE
referenced by chem comp atom: CE2,PHE
referenced by chem comp atom: CZ,PHE
referenced by chem comp atom: OXT,PHE
referenced by chem comp atom: H,PHE
referenced by chem comp atom: H2,PHE
referenced by chem comp atom: HA,PHE
referenced by chem comp atom: HB2,PHE
referenced by chem comp atom: HB3,PHE
referenced by chem comp atom: HD1,PHE
referenced by chem comp atom: HD2,PHE
referenced by chem comp atom: HE1,PHE
referenced by chem comp atom: HE2,PHE
referenced by chem comp atom: HZ,PHE
referenced by chem comp bond: N,CA,PHE
referenced by chem comp bond: N,H,PHE
referenced by chem comp bond: N,H2,PHE
referenced by chem comp bond: CA,C,PHE
referenced by chem comp bond: CA,CB,PHE
referenced by chem comp bond: CA,HA,PHE
referenced by chem comp bond: C,O,PHE
referenced by chem comp bond: C,OXT,PHE
referenced by chem comp bond: CB,CG,PHE
referenced by chem comp bond: CB,HB2,PHE
referenced by chem comp bond: CB,HB3,PHE
referenced by chem comp bond: CG,CD1,PHE
referenced by chem comp bond: CG,CD2,PHE
referenced by chem comp bond: CD1,CE1,PHE
referenced by chem comp bond: CD1,HD1,PHE
referenced by chem comp bond: CD2,CE2,PHE
referenced by chem comp bond: CD2,HD2,PHE
referenced by chem comp bond: CE1,CZ,PHE
referenced by chem comp bond: CE1,HE1,PHE
referenced by chem comp bond: CE2,CZ,PHE
referenced by chem comp bond: CE2,HE2,PHE
referenced by chem comp bond: CZ,HZ,PHE

THO
type: chem comp
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
chem comp.id: THO
chem comp.formula: C4 H11 N O2
chem comp.formula weight: 105.136
chem comp.name: REDUCED THREONINE
chem comp.type: L-peptide linking
link to chem comp: THO
referenced by chem comp atom: HO,THO
referenced by chem comp bond: O,HO,THO
referenced by entity poly seq: 1,THO,8
referenced by chem comp atom: N,THO
referenced by chem comp atom: CA,THO
referenced by chem comp atom: CB,THO
referenced by chem comp atom: CG2,THO
referenced by chem comp atom: OG1,THO
referenced by chem comp atom: C,THO
referenced by chem comp atom: O,THO
referenced by chem comp atom: H,THO
referenced by chem comp atom: H2,THO
referenced by chem comp atom: HA,THO
referenced by chem comp atom: HB,THO
referenced by chem comp atom: HG21,THO
referenced by chem comp atom: HG22,THO
referenced by chem comp atom: HG23,THO
referenced by chem comp atom: HG1,THO
referenced by chem comp atom: HC1,THO
referenced by chem comp atom: HC2,THO
referenced by chem comp bond: N,CA,THO
referenced by chem comp bond: N,H,THO
referenced by chem comp bond: N,H2,THO
referenced by chem comp bond: CA,CB,THO
referenced by chem comp bond: CA,C,THO
referenced by chem comp bond: CA,HA,THO
referenced by chem comp bond: CB,CG2,THO
referenced by chem comp bond: CB,OG1,THO
referenced by chem comp bond: CB,HB,THO
referenced by chem comp bond: CG2,HG21,THO
referenced by chem comp bond: CG2,HG22,THO
referenced by chem comp bond: CG2,HG23,THO
referenced by chem comp bond: OG1,HG1,THO
referenced by chem comp bond: C,O,THO
referenced by chem comp bond: C,HC1,THO
referenced by chem comp bond: C,HC2,THO

THR
type: chem comp
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
chem comp.id: THR
chem comp.formula: C4 H9 N O3
chem comp.formula weight: 119.119
chem comp.mon nstd flag: y
chem comp.name: THREONINE
chem comp.type: L-peptide linking
link to chem comp: THR
referenced by chem comp atom: HXT,THR
referenced by chem comp bond: OXT,HXT,THR
referenced by entity poly seq: 1,THR,6
referenced by chem comp atom: N,THR
referenced by chem comp atom: CA,THR
referenced by chem comp atom: C,THR
referenced by chem comp atom: O,THR
referenced by chem comp atom: CB,THR
referenced by chem comp atom: OG1,THR
referenced by chem comp atom: CG2,THR
referenced by chem comp atom: OXT,THR
referenced by chem comp atom: H,THR
referenced by chem comp atom: H2,THR
referenced by chem comp atom: HA,THR
referenced by chem comp atom: HB,THR
referenced by chem comp atom: HG1,THR
referenced by chem comp atom: HG21,THR
referenced by chem comp atom: HG22,THR
referenced by chem comp atom: HG23,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: N,H,THR
referenced by chem comp bond: N,H2,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: CA,CB,THR
referenced by chem comp bond: CA,HA,THR
referenced by chem comp bond: C,O,THR
referenced by chem comp bond: C,OXT,THR
referenced by chem comp bond: CB,OG1,THR
referenced by chem comp bond: CB,CG2,THR
referenced by chem comp bond: CB,HB,THR
referenced by chem comp bond: OG1,HG1,THR
referenced by chem comp bond: CG2,HG21,THR
referenced by chem comp bond: CG2,HG22,THR
referenced by chem comp bond: CG2,HG23,THR

N,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: N
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: N,H,CYS

CA,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: CA
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,CYS
referenced by chem comp bond: N,CA,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: CA,CB,CYS

C,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: C
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,CYS
referenced by chem comp bond: CA,C,CYS
referenced by chem comp bond: C,O,CYS

O,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: O
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,CYS

CB,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: CB
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,CYS
referenced by chem comp bond: CA,CB,CYS
referenced by chem comp bond: CB,SG,CYS
referenced by chem comp bond: CB,HB2,CYS

SG,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: SG
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S
referenced by chem comp bond: SG,HG,CYS
referenced by chem comp bond: CB,SG,CYS

OXT,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: OXT
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,CYS
referenced by chem comp bond: C,OXT,CYS

H,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: H
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,CYS

H2,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: H2
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,CYS

HA,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: HA
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,CYS

HB2,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: HB2
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,CYS

HB3,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: HB3
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,CYS

HG,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: HG
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: SG,HG,CYS

HXT,CYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: CYS
chem comp atom.atom id: HXT
chem comp atom.comp id: CYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,CYS

N,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: N
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,DPN
referenced by chem comp bond: N,CA,DPN
referenced by chem comp bond: N,H,DPN

CA,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CA
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,DPN
referenced by chem comp bond: N,CA,DPN
referenced by chem comp bond: CA,C,DPN
referenced by chem comp bond: CA,CB,DPN

C,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: C
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,DPN
referenced by chem comp bond: CA,C,DPN
referenced by chem comp bond: C,O,DPN

O,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: O
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,DPN

OXT,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: OXT
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,DPN
referenced by chem comp bond: C,OXT,DPN

CB,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CB
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,DPN
referenced by chem comp bond: CA,CB,DPN
referenced by chem comp bond: CB,CG,DPN
referenced by chem comp bond: CB,HB2,DPN

CG,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CG
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,DPN
referenced by chem comp bond: CB,CG,DPN
referenced by chem comp bond: CG,CD1,DPN

CD1,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CD1
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD1,DPN
referenced by chem comp bond: CG,CD1,DPN
referenced by chem comp bond: CD1,CE1,DPN

CD2,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CD2
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD2,DPN
referenced by chem comp bond: CG,CD2,DPN
referenced by chem comp bond: CD2,CE2,DPN

CE1,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CE1
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE1,HE1,DPN
referenced by chem comp bond: CD1,CE1,DPN
referenced by chem comp bond: CE1,CZ,DPN

CE2,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CE2
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE2,HE2,DPN
referenced by chem comp bond: CD2,CE2,DPN
referenced by chem comp bond: CE2,CZ,DPN

CZ,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: CZ
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ,HZ,DPN
referenced by chem comp bond: CE2,CZ,DPN
referenced by chem comp bond: CE1,CZ,DPN

H,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: H
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,DPN

H2,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: H2
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,DPN

HA,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HA
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,DPN

HXT,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HXT
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,DPN

HB2,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HB2
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,DPN

HB3,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HB3
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,DPN

HD1,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HD1
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD1,DPN

HD2,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HD2
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD2,DPN

HE1,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HE1
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE1,HE1,DPN

HE2,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HE2
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE2,HE2,DPN

HZ,DPN
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
chem comp atom.atom id: HZ
chem comp atom.comp id: DPN
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CZ,HZ,DPN

N,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: N
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,DTR
referenced by chem comp bond: N,CA,DTR
referenced by chem comp bond: N,H,DTR

CA,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CA
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,DTR
referenced by chem comp bond: N,CA,DTR
referenced by chem comp bond: CA,CB,DTR
referenced by chem comp bond: CA,C,DTR

CB,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CB
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,DTR
referenced by chem comp bond: CA,CB,DTR
referenced by chem comp bond: CB,CG,DTR
referenced by chem comp bond: CB,HB2,DTR

CG,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CG
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,DTR
referenced by chem comp bond: CB,CG,DTR
referenced by chem comp bond: CG,CD1,DTR

CD1,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CD1
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD1,DTR
referenced by chem comp bond: CG,CD1,DTR
referenced by chem comp bond: CD1,NE1,DTR

NE1,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: NE1
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NE1,HE1,DTR
referenced by chem comp bond: CD1,NE1,DTR
referenced by chem comp bond: NE1,CE2,DTR

CE2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CE2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE2,CD2,DTR
referenced by chem comp bond: NE1,CE2,DTR
referenced by chem comp bond: CE2,CZ2,DTR

CZ2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CZ2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ2,HZ2,DTR
referenced by chem comp bond: CE2,CZ2,DTR
referenced by chem comp bond: CZ2,CH2,DTR

CH2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CH2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CH2,HH2,DTR
referenced by chem comp bond: CZ2,CH2,DTR
referenced by chem comp bond: CH2,CZ3,DTR

CZ3,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CZ3
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ3,HZ3,DTR
referenced by chem comp bond: CH2,CZ3,DTR
referenced by chem comp bond: CZ3,CE3,DTR

CE3,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CE3
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE3,HE3,DTR
referenced by chem comp bond: CZ3,CE3,DTR
referenced by chem comp bond: CE3,CD2,DTR

CD2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: CD2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE3,CD2,DTR
referenced by chem comp bond: CG,CD2,DTR
referenced by chem comp bond: CE2,CD2,DTR

C,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: C
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,DTR
referenced by chem comp bond: CA,C,DTR
referenced by chem comp bond: C,O,DTR

O,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: O
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,DTR

OXT,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: OXT
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,DTR
referenced by chem comp bond: C,OXT,DTR

H,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: H
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 53
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,DTR

H2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: H2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 54
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,DTR

HA,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HA
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 55
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,DTR

HB2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HB2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 56
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,DTR

HB3,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HB3
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 57
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,DTR

HD1,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HD1
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 58
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD1,DTR

HE1,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HE1
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 59
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NE1,HE1,DTR

HZ2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HZ2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 60
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CZ2,HZ2,DTR

HH2,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HH2
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 61
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CH2,HH2,DTR

HZ3,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HZ3
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 62
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CZ3,HZ3,DTR

HE3,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HE3
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 63
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE3,HE3,DTR

HXT,DTR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DTR
chem comp atom.atom id: HXT
chem comp atom.comp id: DTR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 64
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,DTR

N,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: N
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 65
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,LYS
referenced by chem comp bond: N,CA,LYS
referenced by chem comp bond: N,H,LYS

CA,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: CA
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 66
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,LYS
referenced by chem comp bond: N,CA,LYS
referenced by chem comp bond: CA,C,LYS
referenced by chem comp bond: CA,CB,LYS

C,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: C
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 67
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,LYS
referenced by chem comp bond: CA,C,LYS
referenced by chem comp bond: C,O,LYS

O,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: O
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 68
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,LYS

CB,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: CB
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 69
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,LYS
referenced by chem comp bond: CA,CB,LYS
referenced by chem comp bond: CB,CG,LYS
referenced by chem comp bond: CB,HB2,LYS

CG,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: CG
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 70
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,HG3,LYS
referenced by chem comp bond: CB,CG,LYS
referenced by chem comp bond: CG,CD,LYS
referenced by chem comp bond: CG,HG2,LYS

CD,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: CD
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 71
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD,HD3,LYS
referenced by chem comp bond: CG,CD,LYS
referenced by chem comp bond: CD,CE,LYS
referenced by chem comp bond: CD,HD2,LYS

CE,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: CE
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 72
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE,HE3,LYS
referenced by chem comp bond: CD,CE,LYS
referenced by chem comp bond: CE,NZ,LYS
referenced by chem comp bond: CE,HE2,LYS

NZ,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: NZ
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 73
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: NZ,HZ3,LYS
referenced by chem comp bond: CE,NZ,LYS
referenced by chem comp bond: NZ,HZ1,LYS
referenced by chem comp bond: NZ,HZ2,LYS

OXT,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: OXT
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 74
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,LYS
referenced by chem comp bond: C,OXT,LYS

H,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: H
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 75
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,LYS

H2,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: H2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 76
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,LYS

HA,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HA
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 77
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,LYS

HB2,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HB2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 78
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,LYS

HB3,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HB3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 79
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,LYS

HG2,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HG2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 80
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG2,LYS

HG3,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HG3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 81
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG,HG3,LYS

HD2,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HD2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 82
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD2,LYS

HD3,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HD3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 83
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD,HD3,LYS

HE2,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HE2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 84
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE2,LYS

HE3,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HE3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 85
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE,HE3,LYS

HZ1,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HZ1
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 86
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NZ,HZ1,LYS

HZ2,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HZ2
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 87
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NZ,HZ2,LYS

HZ3,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HZ3
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 88
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: NZ,HZ3,LYS

HXT,LYS
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: LYS
chem comp atom.atom id: HXT
chem comp atom.comp id: LYS
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 89
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,LYS

N,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: N
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 90
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,PHE
referenced by chem comp bond: N,CA,PHE
referenced by chem comp bond: N,H,PHE

CA,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CA
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 91
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,PHE
referenced by chem comp bond: N,CA,PHE
referenced by chem comp bond: CA,C,PHE
referenced by chem comp bond: CA,CB,PHE

C,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: C
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 92
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,PHE
referenced by chem comp bond: CA,C,PHE
referenced by chem comp bond: C,O,PHE

O,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: O
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 93
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,PHE

CB,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CB
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 94
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB3,PHE
referenced by chem comp bond: CA,CB,PHE
referenced by chem comp bond: CB,CG,PHE
referenced by chem comp bond: CB,HB2,PHE

CG,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CG
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 95
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG,CD2,PHE
referenced by chem comp bond: CB,CG,PHE
referenced by chem comp bond: CG,CD1,PHE

CD1,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CD1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 96
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD1,HD1,PHE
referenced by chem comp bond: CG,CD1,PHE
referenced by chem comp bond: CD1,CE1,PHE

CD2,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CD2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 97
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CD2,HD2,PHE
referenced by chem comp bond: CG,CD2,PHE
referenced by chem comp bond: CD2,CE2,PHE

CE1,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CE1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 98
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE1,HE1,PHE
referenced by chem comp bond: CD1,CE1,PHE
referenced by chem comp bond: CE1,CZ,PHE

CE2,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CE2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 99
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CE2,HE2,PHE
referenced by chem comp bond: CD2,CE2,PHE
referenced by chem comp bond: CE2,CZ,PHE

CZ,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: CZ
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx ordinal: 100
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CZ,HZ,PHE
referenced by chem comp bond: CE2,CZ,PHE
referenced by chem comp bond: CE1,CZ,PHE

OXT,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: OXT
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 101
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,PHE
referenced by chem comp bond: C,OXT,PHE

H,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: H
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 102
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,PHE

H2,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: H2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 103
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,PHE

HA,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HA
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 104
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,PHE

HB2,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HB2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 105
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB2,PHE

HB3,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HB3
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 106
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB3,PHE

HD1,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HD1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 107
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD1,HD1,PHE

HD2,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HD2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 108
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CD2,HD2,PHE

HE1,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HE1
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 109
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE1,HE1,PHE

HE2,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HE2
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 110
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CE2,HE2,PHE

HZ,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HZ
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 111
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CZ,HZ,PHE

HXT,PHE
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
chem comp atom.atom id: HXT
chem comp atom.comp id: PHE
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 112
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,PHE

N,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: N
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 113
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,THO
referenced by chem comp bond: N,CA,THO
referenced by chem comp bond: N,H,THO

CA,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: CA
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 114
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,THO
referenced by chem comp bond: N,CA,THO
referenced by chem comp bond: CA,CB,THO
referenced by chem comp bond: CA,C,THO

CB,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: CB
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 115
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,THO
referenced by chem comp bond: CA,CB,THO
referenced by chem comp bond: CB,CG2,THO
referenced by chem comp bond: CB,OG1,THO

CG2,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: CG2
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 116
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG2,HG23,THO
referenced by chem comp bond: CB,CG2,THO
referenced by chem comp bond: CG2,HG21,THO
referenced by chem comp bond: CG2,HG22,THO

OG1,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: OG1
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 117
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OG1,HG1,THO
referenced by chem comp bond: CB,OG1,THO

C,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: C
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 118
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,HC2,THO
referenced by chem comp bond: CA,C,THO
referenced by chem comp bond: C,O,THO
referenced by chem comp bond: C,HC1,THO

O,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: O
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 119
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: O,HO,THO
referenced by chem comp bond: C,O,THO

H,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: H
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 120
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,THO

H2,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: H2
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 121
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,THO

HA,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HA
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 122
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,THO

HB,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HB
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 123
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,THO

HG21,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HG21
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 124
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG21,THO

HG22,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HG22
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 125
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG22,THO

HG23,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HG23
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 126
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG23,THO

HG1,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HG1
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 127
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OG1,HG1,THO

HC1,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HC1
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 128
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C,HC1,THO

HC2,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HC2
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 129
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: C,HC2,THO

HO,THO
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THO
chem comp atom.atom id: HO
chem comp atom.comp id: THO
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 130
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: O,HO,THO

N,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: N
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 131
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N
referenced by chem comp bond: N,H2,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: N,H,THR

CA,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: CA
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 132
chem comp atom.pdbx stereo config: S
chem comp atom.type symbol: C
referenced by chem comp bond: CA,HA,THR
referenced by chem comp bond: N,CA,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: CA,CB,THR

C,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: C
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 133
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: C,OXT,THR
referenced by chem comp bond: CA,C,THR
referenced by chem comp bond: C,O,THR

O,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: O
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 134
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: C,O,THR

CB,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: CB
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 135
chem comp atom.pdbx stereo config: R
chem comp atom.type symbol: C
referenced by chem comp bond: CB,HB,THR
referenced by chem comp bond: CA,CB,THR
referenced by chem comp bond: CB,OG1,THR
referenced by chem comp bond: CB,CG2,THR

OG1,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: OG1
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 136
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OG1,HG1,THR
referenced by chem comp bond: CB,OG1,THR

CG2,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: CG2
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 137
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C
referenced by chem comp bond: CG2,HG23,THR
referenced by chem comp bond: CB,CG2,THR
referenced by chem comp bond: CG2,HG21,THR
referenced by chem comp bond: CG2,HG22,THR

OXT,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: OXT
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 138
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O
referenced by chem comp bond: OXT,HXT,THR
referenced by chem comp bond: C,OXT,THR

H,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: H
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 139
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H,THR

H2,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: H2
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 140
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: N,H2,THR

HA,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: HA
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 141
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CA,HA,THR

HB,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: HB
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 142
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CB,HB,THR

HG1,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: HG1
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 143
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OG1,HG1,THR

HG21,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: HG21
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 144
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG21,THR

HG22,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: HG22
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 145
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG22,THR

HG23,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: HG23
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 146
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: CG2,HG23,THR

HXT,THR
type: chem comp atom
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: THR
chem comp atom.atom id: HXT
chem comp atom.comp id: THR
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx ordinal: 147
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H
referenced by chem comp bond: OXT,HXT,THR

N,CA,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,CYS
reference to chem comp atom: CA,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,CYS
reference to chem comp atom: H,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,CYS
reference to chem comp atom: H2,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,CYS
reference to chem comp atom: C,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,CYS
reference to chem comp atom: CB,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,CYS
reference to chem comp atom: HA,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,CYS
reference to chem comp atom: O,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,CYS
reference to chem comp atom: OXT,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,SG,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,CYS
reference to chem comp atom: SG,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: SG
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,CYS
reference to chem comp atom: HB2,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,CYS
reference to chem comp atom: HB3,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

SG,HG,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: SG,CYS
reference to chem comp atom: HG,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: SG
chem comp bond.atom id 2: HG
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,CYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OXT,CYS
reference to chem comp atom: HXT,CYS
reference to chem comp: CYS
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: CYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,DPN
reference to chem comp atom: CA,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,DPN
reference to chem comp atom: H,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,DPN
reference to chem comp atom: H2,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,DPN
reference to chem comp atom: C,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,DPN
reference to chem comp atom: CB,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,DPN
reference to chem comp atom: HA,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,DPN
reference to chem comp atom: O,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,DPN
reference to chem comp atom: OXT,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OXT,DPN
reference to chem comp atom: HXT,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,DPN
reference to chem comp atom: CG,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,DPN
reference to chem comp atom: HB2,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,DPN
reference to chem comp atom: HB3,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,DPN
reference to chem comp atom: CD1,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,CD2,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,DPN
reference to chem comp atom: CD2,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,CE1,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD1,DPN
reference to chem comp atom: CE1,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: CE1
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD1,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD1,DPN
reference to chem comp atom: HD1,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,CE2,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD2,DPN
reference to chem comp atom: CE2,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE2
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD2,HD2,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD2,DPN
reference to chem comp atom: HD2,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE1,CZ,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE1,DPN
reference to chem comp atom: CZ,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: CZ
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE1,HE1,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE1,DPN
reference to chem comp atom: HE1,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,CZ,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE2,DPN
reference to chem comp atom: CZ,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,HE2,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE2,DPN
reference to chem comp atom: HE2,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: HE2
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ,HZ,DPN
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CZ,DPN
reference to chem comp atom: HZ,DPN
reference to chem comp: DPN
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: HZ
chem comp bond.comp id: DPN
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,DTR
reference to chem comp atom: CA,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,DTR
reference to chem comp atom: H,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,DTR
reference to chem comp atom: H2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,DTR
reference to chem comp atom: CB,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,DTR
reference to chem comp atom: C,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,DTR
reference to chem comp atom: HA,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,DTR
reference to chem comp atom: CG,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,DTR
reference to chem comp atom: HB2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,DTR
reference to chem comp atom: HB3,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,DTR
reference to chem comp atom: CD1,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,CD2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,DTR
reference to chem comp atom: CD2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,NE1,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD1,DTR
reference to chem comp atom: NE1,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: NE1
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD1,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD1,DTR
reference to chem comp atom: HD1,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE1,CE2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: NE1,DTR
reference to chem comp atom: CE2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: NE1
chem comp bond.atom id 2: CE2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NE1,HE1,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: NE1,DTR
reference to chem comp atom: HE1,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: NE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,CZ2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE2,DTR
reference to chem comp atom: CZ2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE2,CD2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE2,DTR
reference to chem comp atom: CD2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CD2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ2,CH2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CZ2,DTR
reference to chem comp atom: CH2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CZ2
chem comp bond.atom id 2: CH2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ2,HZ2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CZ2,DTR
reference to chem comp atom: HZ2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CZ2
chem comp bond.atom id 2: HZ2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CH2,CZ3,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CH2,DTR
reference to chem comp atom: CZ3,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CH2
chem comp bond.atom id 2: CZ3
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 56
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CH2,HH2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CH2,DTR
reference to chem comp atom: HH2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CH2
chem comp bond.atom id 2: HH2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 57
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ3,CE3,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CZ3,DTR
reference to chem comp atom: CE3,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CZ3
chem comp bond.atom id 2: CE3
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 58
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ3,HZ3,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CZ3,DTR
reference to chem comp atom: HZ3,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CZ3
chem comp bond.atom id 2: HZ3
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 59
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE3,CD2,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE3,DTR
reference to chem comp atom: CD2,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CE3
chem comp bond.atom id 2: CD2
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 60
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE3,HE3,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE3,DTR
reference to chem comp atom: HE3,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: CE3
chem comp bond.atom id 2: HE3
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 61
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,DTR
reference to chem comp atom: O,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 62
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,DTR
reference to chem comp atom: OXT,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 63
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,DTR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OXT,DTR
reference to chem comp atom: HXT,DTR
reference to chem comp: DTR
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: DTR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 64
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,LYS
reference to chem comp atom: CA,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 65
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,LYS
reference to chem comp atom: H,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 66
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,LYS
reference to chem comp atom: H2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 67
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,LYS
reference to chem comp atom: C,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 68
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,LYS
reference to chem comp atom: CB,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 69
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,LYS
reference to chem comp atom: HA,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 70
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,LYS
reference to chem comp atom: O,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 71
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,LYS
reference to chem comp atom: OXT,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 72
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,LYS
reference to chem comp atom: CG,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 73
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,LYS
reference to chem comp atom: HB2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 74
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,LYS
reference to chem comp atom: HB3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 75
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,LYS
reference to chem comp atom: CD,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 76
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG2,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,LYS
reference to chem comp atom: HG2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 77
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,HG3,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,LYS
reference to chem comp atom: HG3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 78
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,CE,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD,LYS
reference to chem comp atom: CE,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: CE
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 79
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD2,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD,LYS
reference to chem comp atom: HD2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 80
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD,HD3,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD,LYS
reference to chem comp atom: HD3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 81
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,NZ,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE,LYS
reference to chem comp atom: NZ,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: NZ
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 82
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE2,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE,LYS
reference to chem comp atom: HE2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 83
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE,HE3,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE,LYS
reference to chem comp atom: HE3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 84
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NZ,HZ1,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: NZ,LYS
reference to chem comp atom: HZ1,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: HZ1
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 85
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NZ,HZ2,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: NZ,LYS
reference to chem comp atom: HZ2,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: HZ2
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 86
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

NZ,HZ3,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: NZ,LYS
reference to chem comp atom: HZ3,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: HZ3
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 87
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,LYS
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OXT,LYS
reference to chem comp atom: HXT,LYS
reference to chem comp: LYS
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: LYS
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 88
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,PHE
reference to chem comp atom: CA,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 89
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,PHE
reference to chem comp atom: H,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 90
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,PHE
reference to chem comp atom: H2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 91
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,PHE
reference to chem comp atom: C,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 92
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,PHE
reference to chem comp atom: CB,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 93
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,PHE
reference to chem comp atom: HA,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 94
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,PHE
reference to chem comp atom: O,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 95
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,PHE
reference to chem comp atom: OXT,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 96
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,PHE
reference to chem comp atom: CG,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 97
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB2,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,PHE
reference to chem comp atom: HB2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 98
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB3,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,PHE
reference to chem comp atom: HB3,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 99
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG,CD1,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,PHE
reference to chem comp atom: CD1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 100
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CG,CD2,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG,PHE
reference to chem comp atom: CD2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 101
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,CE1,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD1,PHE
reference to chem comp atom: CE1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: CE1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 102
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD1,HD1,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD1,PHE
reference to chem comp atom: HD1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 103
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CD2,CE2,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD2,PHE
reference to chem comp atom: CE2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 104
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CD2,HD2,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CD2,PHE
reference to chem comp atom: HD2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 105
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE1,CZ,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE1,PHE
reference to chem comp atom: CZ,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: CZ
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 106
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

CE1,HE1,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE1,PHE
reference to chem comp atom: HE1,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: HE1
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 107
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,CZ,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE2,PHE
reference to chem comp atom: CZ,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 108
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CE2,HE2,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CE2,PHE
reference to chem comp atom: HE2,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: HE2
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 109
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CZ,HZ,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CZ,PHE
reference to chem comp atom: HZ,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: HZ
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 110
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,PHE
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OXT,PHE
reference to chem comp atom: HXT,PHE
reference to chem comp: PHE
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: PHE
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 111
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,THO
reference to chem comp atom: CA,THO
reference to chem comp: THO
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 112
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,THO
reference to chem comp atom: H,THO
reference to chem comp: THO
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 113
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,THO
reference to chem comp atom: H2,THO
reference to chem comp: THO
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 114
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,THO
reference to chem comp atom: CB,THO
reference to chem comp: THO
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 115
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,THO
reference to chem comp atom: C,THO
reference to chem comp: THO
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 116
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,THO
reference to chem comp atom: HA,THO
reference to chem comp: THO
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 117
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,THO
reference to chem comp atom: CG2,THO
reference to chem comp: THO
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 118
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG1,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,THO
reference to chem comp atom: OG1,THO
reference to chem comp: THO
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG1
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 119
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,THO
reference to chem comp atom: HB,THO
reference to chem comp: THO
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 120
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG2,THO
reference to chem comp atom: HG21,THO
reference to chem comp: THO
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 121
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG2,THO
reference to chem comp atom: HG22,THO
reference to chem comp: THO
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 122
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG2,THO
reference to chem comp atom: HG23,THO
reference to chem comp: THO
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 123
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG1,HG1,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OG1,THO
reference to chem comp atom: HG1,THO
reference to chem comp: THO
chem comp bond.atom id 1: OG1
chem comp bond.atom id 2: HG1
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 124
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,THO
reference to chem comp atom: O,THO
reference to chem comp: THO
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 125
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,HC1,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,THO
reference to chem comp atom: HC1,THO
reference to chem comp: THO
chem comp bond.atom id 1: C
chem comp bond.atom id 2: HC1
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 126
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,HC2,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,THO
reference to chem comp atom: HC2,THO
reference to chem comp: THO
chem comp bond.atom id 1: C
chem comp bond.atom id 2: HC2
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 127
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O,HO,THO
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: O,THO
reference to chem comp atom: HO,THO
reference to chem comp: THO
chem comp bond.atom id 1: O
chem comp bond.atom id 2: HO
chem comp bond.comp id: THO
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 128
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,CA,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,THR
reference to chem comp atom: CA,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 129
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,THR
reference to chem comp atom: H,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 130
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N,H2,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: N,THR
reference to chem comp atom: H2,THR
reference to chem comp: THR
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 131
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,C,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,THR
reference to chem comp atom: C,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 132
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,CB,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,THR
reference to chem comp atom: CB,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 133
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CA,HA,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CA,THR
reference to chem comp atom: HA,THR
reference to chem comp: THR
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 134
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C,O,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,THR
reference to chem comp atom: O,THR
reference to chem comp: THR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 135
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C,OXT,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: C,THR
reference to chem comp atom: OXT,THR
reference to chem comp: THR
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 136
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,OG1,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,THR
reference to chem comp atom: OG1,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: OG1
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 137
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,CG2,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,THR
reference to chem comp atom: CG2,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG2
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 138
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CB,HB,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CB,THR
reference to chem comp atom: HB,THR
reference to chem comp: THR
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 139
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OG1,HG1,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OG1,THR
reference to chem comp atom: HG1,THR
reference to chem comp: THR
chem comp bond.atom id 1: OG1
chem comp bond.atom id 2: HG1
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 140
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG21,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG21,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG21
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 141
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG22,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG22,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG22
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 142
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CG2,HG23,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: CG2,THR
reference to chem comp atom: HG23,THR
reference to chem comp: THR
chem comp bond.atom id 1: CG2
chem comp bond.atom id 2: HG23
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 143
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

OXT,HXT,THR
type: chem comp bond
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp atom: OXT,THR
reference to chem comp atom: HXT,THR
reference to chem comp: THR
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.comp id: THR
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 144
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

primary
type: citation
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
citation.id: primary
citation.country: US
citation.journal abbrev: Biochemistry
citation.journal id ASTM: BICHAW
citation.journal id CSD: 0033
citation.journal id ISSN: 0006-2960
citation.journal volume: 36
citation.page first: 1233
citation.page last: 1241
citation.pdbx database id DOI: 10.1021/bi962497o
citation.pdbx database id pub med: 9063871
citation.title: Multiconformational NMR analysis of sandostatin (octreotide): equilibrium between beta-sheet and partially helical structures.
citation.year: 1997
link to doi: doi:10.1021/bi962497o
link to pubmed: pubmed:9063871
references: pubmed:9063871
referenced by citation author: primary,Goodman, M.,3
referenced by citation author: primary,Melacini, G.,1
referenced by citation author: primary,Zhu, Q.,2

http://rdf.wwpdb.org/pdb/2SOC/citation/1
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citation.id: 1
citation.country: DK
citation.journal abbrev: Acta Crystallogr.,Sect.D
citation.journal id ASTM: ABCRE6
citation.journal id CSD: 0766
citation.journal id ISSN: 0907-4449
citation.journal volume: 51
citation.page first: 48
citation.title: Structure of Octreotide, a Somatostatin Analogue
citation.year: 1995
referenced by citation author: 1,Pfaffli, P.J.,11
referenced by citation author: 1,Pohl, E.,4
referenced by citation author: 1,Heine, A.,5
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referenced by citation author: 1,Huber, W.,10

primary,Melacini, G.,1
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primary,Zhu, Q.,2
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1,Pfaffli, P.J.,11
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2SOC,PDB
type: database 2
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
database 2.database code: 2SOC
database 2.database id: PDB
database 2.pdbx DOI: 10.2210/pdb2soc/pdb
database 2.pdbx database accession: pdb_00002soc

D 1000178641,WWPDB
type: database 2
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
database 2.database code: D_1000178641
database 2.database id: WWPDB

2SOC
type: database PDB matrix
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
database PDB matrix.entry id: 2SOC
database PDB matrix.origx11: 1
database PDB matrix.origx12: 0
database PDB matrix.origx13: 0
database PDB matrix.origx21: 0
database PDB matrix.origx22: 1
database PDB matrix.origx23: 0
database PDB matrix.origx31: 0
database PDB matrix.origx32: 0
database PDB matrix.origx33: 1
database PDB matrix.origx vector1: 0
database PDB matrix.origx vector2: 0
database PDB matrix.origx vector3: 0

http://rdf.wwpdb.org/pdb/2SOC/entity/1
type: entity
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
entity.id: 1
entity.formula weight: 1022.263
entity.pdbx description: SANDOSTATIN
entity.pdbx number of molecules: 1
entity.src method: man
entity.type: polymer
referenced by entity name com: http://rdf.wwpdb.org/pdb/2SOC/entity_name_com/1
referenced by entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
referenced by struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
referenced by struct ref: http://rdf.wwpdb.org/pdb/2SOC/struct_ref/1
referenced by pdbx entity src syn: 1,1

http://rdf.wwpdb.org/pdb/2SOC/entity_name_com/1
type: entity name com
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity: http://rdf.wwpdb.org/pdb/2SOC/entity/1
entity name com.entity id: 1
entity name com.name: OCTREOTIDE

http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
type: entity poly
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reference to entity: http://rdf.wwpdb.org/pdb/2SOC/entity/1
entity poly.entity id: 1
entity poly.nstd linkage: no
entity poly.nstd monomer: yes
entity poly.pdbx seq one letter code: (DPN)CF(DTR)KTC(THO)
entity poly.pdbx seq one letter code can: FCFWKTCX
entity poly.pdbx strand id: A
entity poly.type: polypeptide(L)
referenced by entity poly seq: 1,THO,8
referenced by entity poly seq: 1,DPN,1
referenced by entity poly seq: 1,CYS,2
referenced by entity poly seq: 1,PHE,3
referenced by entity poly seq: 1,DTR,4
referenced by entity poly seq: 1,LYS,5
referenced by entity poly seq: 1,THR,6
referenced by entity poly seq: 1,CYS,7

1,DPN,1
type: entity poly seq
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: DPN
reference to entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DPN
entity poly seq.num: 1
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DPN,1

1,CYS,2
type: entity poly seq
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reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 2
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,2

1,PHE,3
type: entity poly seq
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to chem comp: PHE
reference to entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: PHE
entity poly seq.num: 3
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,PHE,3

1,DTR,4
type: entity poly seq
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reference to chem comp: DTR
reference to entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: DTR
entity poly seq.num: 4
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,DTR,4

1,LYS,5
type: entity poly seq
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reference to chem comp: LYS
reference to entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: LYS
entity poly seq.num: 5
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,LYS,5

1,THR,6
type: entity poly seq
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reference to chem comp: THR
reference to entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: THR
entity poly seq.num: 6
entity poly seq.hetero: n
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1,CYS,7
type: entity poly seq
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reference to chem comp: CYS
reference to entity poly: http://rdf.wwpdb.org/pdb/2SOC/entity_poly/1
entity poly seq.entity id: 1
entity poly seq.mon id: CYS
entity poly seq.num: 7
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,CYS,7

1,THO,8
type: entity poly seq
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reference to chem comp: THO
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entity poly seq.entity id: 1
entity poly seq.mon id: THO
entity poly seq.num: 8
entity poly seq.hetero: n
referenced by pdbx poly seq scheme: A,1,THO,8

2SOC,SOLUTION NMR
type: exptl
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
exptl.entry id: 2SOC
exptl.method: SOLUTION NMR

Structure model,1,4
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Structure model,4
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Structure model,2,4
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Structure model,3,4
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Structure model,4,4
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Structure model,5,4
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Structure model,6,5
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Structure model,5
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Structure model,7,5
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Structure model,8,5
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Structure model,1,1
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Structure model,1
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Structure model,1,2
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Structure model,2
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Structure model,2,3
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Structure model,3
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Structure model,3,4
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Structure model,4,4
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Structure model,5,4
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Structure model,6,5
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Structure model,7,5
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Structure model,1,4
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Structure model,2,4
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Structure model,3,4
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Structure model,4,4
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Structure model,5,4
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Structure model,6,4
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Structure model,7,4
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Structure model,8,4
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Structure model,9,4
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Structure model,10,4
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Structure model,11,4
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pdbx audit revision item.data content type: Structure model
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Structure model,12,4
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pdbx audit revision item.data content type: Structure model
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pdbx audit revision item.revision ordinal: 4
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Structure model,13,4
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pdbx audit revision item.data content type: Structure model
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Structure model,14,4
type: pdbx audit revision item
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pdbx audit revision item.data content type: Structure model
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Structure model,15,5
type: pdbx audit revision item
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pdbx audit revision item.data content type: Structure model
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Structure model,16,5
type: pdbx audit revision item
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pdbx audit revision item.data content type: Structure model
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pdbx audit revision item.item: _atom_site.label_atom_id

representative structure,1SOC,PDB
type: pdbx database related
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx database related.content type: representative structure
pdbx database related.db id: 1SOC
pdbx database related.db name: PDB

2SOC
type: pdbx database status
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
pdbx database status.entry id: 2SOC
pdbx database status.pdb format compatible: Y
pdbx database status.process site: BNL
pdbx database status.recvd initial deposition date: 1996-11-26
pdbx database status.status code: REL

1,1
type: pdbx entity src syn
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity: http://rdf.wwpdb.org/pdb/2SOC/entity/1
pdbx entity src syn.entity id: 1
pdbx entity src syn.pdbx src id: 1
pdbx entity src syn.details: DONATED BY SANDOZ. IT INCLUDES THE ACTIVE SEQUENCE OF SOMATOSTATIN PHE-TRP-LYS-THR
pdbx entity src syn.pdbx alt source flag: sample

2SOC
type: pdbx nmr ensemble
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
pdbx nmr ensemble.entry id: 2SOC
pdbx nmr ensemble.conformers calculated total number: 100
pdbx nmr ensemble.conformers submitted total number: 2

1,1,1
type: pdbx nmr exptl
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 1
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.type: ROESY

1,2,1
type: pdbx nmr exptl
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 2
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.type: TOCSY

1,3,1
type: pdbx nmr exptl
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx nmr exptl.conditions id: 1
pdbx nmr exptl.experiment id: 3
pdbx nmr exptl.solution id: 1
pdbx nmr exptl.type: DQF-COSY

http://rdf.wwpdb.org/pdb/2SOC/pdbx_nmr_exptl_sample_conditions/1
type: pdbx nmr exptl sample conditions
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pdbx nmr exptl sample conditions.conditions id: 1
pdbx nmr exptl sample conditions.temperature: 300
pdbx nmr exptl sample conditions.temperature units: K

2SOC,1
type: pdbx nmr refine
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reference to entry: 2SOC
pdbx nmr refine.entry id: 2SOC
pdbx nmr refine.software ordinal: 1
pdbx nmr refine.details: CVFF FORCE FIELD (USED BY DISCOVER) DGII ALSO WAS USED.

http://rdf.wwpdb.org/pdb/2SOC/pdbx_nmr_spectrometer/1
type: pdbx nmr spectrometer
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pdbx nmr spectrometer.spectrometer id: 1
pdbx nmr spectrometer.field strength: 500
pdbx nmr spectrometer.manufacturer: Bruker
pdbx nmr spectrometer.model: AMX 500

A,1,DPN,1
type: pdbx poly seq scheme
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity poly seq: 1,DPN,1
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DPN
pdbx poly seq scheme.seq id: 1
pdbx poly seq scheme.auth mon id: DPN
pdbx poly seq scheme.auth seq num: 1
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 1
pdbx poly seq scheme.pdb mon id: DPN
pdbx poly seq scheme.pdb seq num: 1
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
referenced by pdbx poly seq scheme: A,1,DPN,1
referenced by pdbx poly seq scheme: A,1,CYS,2
referenced by pdbx poly seq scheme: A,1,PHE,3
referenced by pdbx poly seq scheme: A,1,DTR,4
referenced by pdbx poly seq scheme: A,1,LYS,5
referenced by pdbx poly seq scheme: A,1,THR,6
referenced by pdbx poly seq scheme: A,1,CYS,7
referenced by pdbx poly seq scheme: A,1,THO,8
type: struct asym
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity: http://rdf.wwpdb.org/pdb/2SOC/entity/1
struct asym.id: A
struct asym.entity id: 1
struct asym.pdbx blank PDB chainid flag: Y
struct asym.pdbx modified: N

A,1,CYS,2
type: pdbx poly seq scheme
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reference to entity poly seq: 1,CYS,2
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 2
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 2
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 2
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 2
pdbx poly seq scheme.pdb strand id: A

A,1,PHE,3
type: pdbx poly seq scheme
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reference to entity poly seq: 1,PHE,3
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: PHE
pdbx poly seq scheme.seq id: 3
pdbx poly seq scheme.auth mon id: PHE
pdbx poly seq scheme.auth seq num: 3
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 3
pdbx poly seq scheme.pdb mon id: PHE
pdbx poly seq scheme.pdb seq num: 3
pdbx poly seq scheme.pdb strand id: A

A,1,DTR,4
type: pdbx poly seq scheme
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity poly seq: 1,DTR,4
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: DTR
pdbx poly seq scheme.seq id: 4
pdbx poly seq scheme.auth mon id: DTR
pdbx poly seq scheme.auth seq num: 4
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 4
pdbx poly seq scheme.pdb mon id: DTR
pdbx poly seq scheme.pdb seq num: 4
pdbx poly seq scheme.pdb strand id: A

A,1,LYS,5
type: pdbx poly seq scheme
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity poly seq: 1,LYS,5
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: LYS
pdbx poly seq scheme.seq id: 5
pdbx poly seq scheme.auth mon id: LYS
pdbx poly seq scheme.auth seq num: 5
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 5
pdbx poly seq scheme.pdb mon id: LYS
pdbx poly seq scheme.pdb seq num: 5
pdbx poly seq scheme.pdb strand id: A

A,1,THR,6
type: pdbx poly seq scheme
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity poly seq: 1,THR,6
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THR
pdbx poly seq scheme.seq id: 6
pdbx poly seq scheme.auth mon id: THR
pdbx poly seq scheme.auth seq num: 6
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 6
pdbx poly seq scheme.pdb mon id: THR
pdbx poly seq scheme.pdb seq num: 6
pdbx poly seq scheme.pdb strand id: A

A,1,CYS,7
type: pdbx poly seq scheme
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity poly seq: 1,CYS,7
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: CYS
pdbx poly seq scheme.seq id: 7
pdbx poly seq scheme.auth mon id: CYS
pdbx poly seq scheme.auth seq num: 7
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 7
pdbx poly seq scheme.pdb mon id: CYS
pdbx poly seq scheme.pdb seq num: 7
pdbx poly seq scheme.pdb strand id: A

A,1,THO,8
type: pdbx poly seq scheme
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity poly seq: 1,THO,8
reference to struct asym: http://rdf.wwpdb.org/pdb/2SOC/struct_asym/A
pdbx poly seq scheme.asym id: A
pdbx poly seq scheme.entity id: 1
pdbx poly seq scheme.mon id: THO
pdbx poly seq scheme.seq id: 8
pdbx poly seq scheme.auth mon id: THO
pdbx poly seq scheme.auth seq num: 8
pdbx poly seq scheme.hetero: n
pdbx poly seq scheme.ndb seq num: 8
pdbx poly seq scheme.pdb mon id: THO
pdbx poly seq scheme.pdb seq num: 8
pdbx poly seq scheme.pdb strand id: A

http://rdf.wwpdb.org/pdb/2SOC/pdbx_struct_assembly/1
type: pdbx struct assembly
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx struct assembly.id: 1
pdbx struct assembly.details: author_defined_assembly
pdbx struct assembly.oligomeric count: 1
pdbx struct assembly.oligomeric details: monomeric
referenced by pdbx struct assembly gen: 1,A,1

1,A,1
type: pdbx struct assembly gen
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to pdbx struct assembly: http://rdf.wwpdb.org/pdb/2SOC/pdbx_struct_assembly/1
pdbx struct assembly gen.assembly id: 1
pdbx struct assembly gen.asym id list: A
pdbx struct assembly gen.oper expression: 1

http://rdf.wwpdb.org/pdb/2SOC/pdbx_struct_mod_residue/1
type: pdbx struct mod residue
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx struct mod residue.id: 1
pdbx struct mod residue.auth asym id: A
pdbx struct mod residue.auth comp id: DTR
pdbx struct mod residue.auth seq id: 4
pdbx struct mod residue.details: D-TRYPTOPHAN
pdbx struct mod residue.label asym id: A
pdbx struct mod residue.label comp id: DTR
pdbx struct mod residue.label seq id: 4
pdbx struct mod residue.parent comp id: TRP

http://rdf.wwpdb.org/pdb/2SOC/pdbx_struct_oper_list/1
type: pdbx struct oper list
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx struct oper list.id: 1
pdbx struct oper list.matrix11: 1
pdbx struct oper list.matrix12: 0
pdbx struct oper list.matrix13: 0
pdbx struct oper list.matrix21: 0
pdbx struct oper list.matrix22: 1
pdbx struct oper list.matrix23: 0
pdbx struct oper list.matrix31: 0
pdbx struct oper list.matrix32: 0
pdbx struct oper list.matrix33: 1
pdbx struct oper list.name: 1_555
pdbx struct oper list.symmetry operation: x,y,z
pdbx struct oper list.type: identity operation
pdbx struct oper list.vector1: 0
pdbx struct oper list.vector2: 0
pdbx struct oper list.vector3: 0

http://rdf.wwpdb.org/pdb/2SOC/pdbx_validate_close_contact/1
type: pdbx validate close contact
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx validate close contact.id: 1
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: HG1
pdbx validate close contact.auth comp id 1: DPN
pdbx validate close contact.auth comp id 2: THR
pdbx validate close contact.auth seq id 1: 1
pdbx validate close contact.auth seq id 2: 6
pdbx validate close contact.dist: 1.5

http://rdf.wwpdb.org/pdb/2SOC/pdbx_validate_close_contact/2
type: pdbx validate close contact
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx validate close contact.id: 2
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: HO
pdbx validate close contact.auth comp id 1: LYS
pdbx validate close contact.auth comp id 2: THO
pdbx validate close contact.auth seq id 1: 5
pdbx validate close contact.auth seq id 2: 8
pdbx validate close contact.dist: 1.53

http://rdf.wwpdb.org/pdb/2SOC/pdbx_validate_close_contact/3
type: pdbx validate close contact
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx validate close contact.id: 3
pdbx validate close contact.pdb model num: 1
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: HG1
pdbx validate close contact.auth comp id 1: CYS
pdbx validate close contact.auth comp id 2: THO
pdbx validate close contact.auth seq id 1: 7
pdbx validate close contact.auth seq id 2: 8
pdbx validate close contact.dist: 1.6

http://rdf.wwpdb.org/pdb/2SOC/pdbx_validate_close_contact/4
type: pdbx validate close contact
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx validate close contact.id: 4
pdbx validate close contact.pdb model num: 2
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: HG1
pdbx validate close contact.auth comp id 1: DPN
pdbx validate close contact.auth comp id 2: THR
pdbx validate close contact.auth seq id 1: 1
pdbx validate close contact.auth seq id 2: 6
pdbx validate close contact.dist: 1.51

http://rdf.wwpdb.org/pdb/2SOC/pdbx_validate_close_contact/5
type: pdbx validate close contact
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx validate close contact.id: 5
pdbx validate close contact.pdb model num: 2
pdbx validate close contact.auth asym id 1: A
pdbx validate close contact.auth asym id 2: A
pdbx validate close contact.auth atom id 1: O
pdbx validate close contact.auth atom id 2: HG1
pdbx validate close contact.auth comp id 1: DTR
pdbx validate close contact.auth comp id 2: THO
pdbx validate close contact.auth seq id 1: 4
pdbx validate close contact.auth seq id 2: 8
pdbx validate close contact.dist: 1.57

http://rdf.wwpdb.org/pdb/2SOC/pdbx_validate_torsion/1
type: pdbx validate torsion
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
pdbx validate torsion.id: 1
pdbx validate torsion.pdb model num: 2
pdbx validate torsion.auth asym id: A
pdbx validate torsion.auth comp id: THR
pdbx validate torsion.auth seq id: 6
pdbx validate torsion.phi: -73.6
pdbx validate torsion.psi: -72.33

2SOC
type: struct
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
struct.entry id: 2SOC
struct.title: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES

http://rdf.wwpdb.org/pdb/2SOC/struct_biol/1
type: struct biol
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
struct biol.id: 1

HELX P1
type: struct conf
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to struct conf type: HELX P
struct conf.id: HELX_P1
struct conf.beg auth asym id: A
struct conf.beg auth comp id: PHE
struct conf.beg auth seq id: 3
struct conf.beg label asym id: A
struct conf.beg label comp id: PHE
struct conf.beg label seq id: 3
struct conf.conf type id: HELX_P
struct conf.end auth asym id: A
struct conf.end auth comp id: THO
struct conf.end auth seq id: 8
struct conf.end label asym id: A
struct conf.end label comp id: THO
struct conf.end label seq id: 8
struct conf.pdbx PDB helix class: 5
struct conf.pdbx PDB helix id: 1
struct conf.pdbx PDB helix length: 6

HELX P
referenced by struct conf: HELX P1
type: struct conf type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
struct conf type.id: HELX_P

disulf1
type: struct conn
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to struct conn type: disulf
struct conn.id: disulf1
struct conn.conn type id: disulf
struct conn.pdbx dist value: 1.999
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: CYS
struct conn.ptnr1 auth seq id: 2
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: SG
struct conn.ptnr1 label comp id: CYS
struct conn.ptnr1 label seq id: 2
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: CYS
struct conn.ptnr2 auth seq id: 7
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: SG
struct conn.ptnr2 label comp id: CYS
struct conn.ptnr2 label seq id: 7
struct conn.ptnr2 symmetry: 1_555

disulf
referenced by struct conn: disulf1
type: struct conn type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
struct conn type.id: disulf

covale1
type: struct conn
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to struct conn type: covale
struct conn.id: covale1
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.344
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DPN
struct conn.ptnr1 auth seq id: 1
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DPN
struct conn.ptnr1 label seq id: 1
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: CYS
struct conn.ptnr2 auth seq id: 2
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: CYS
struct conn.ptnr2 label seq id: 2
struct conn.ptnr2 symmetry: 1_555

covale
referenced by struct conn: covale1
referenced by struct conn: covale2
referenced by struct conn: covale3
referenced by struct conn: covale4
type: struct conn type
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
struct conn type.id: covale

covale2
type: struct conn
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to struct conn type: covale
struct conn.id: covale2
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.349
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: PHE
struct conn.ptnr1 auth seq id: 3
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: PHE
struct conn.ptnr1 label seq id: 3
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: DTR
struct conn.ptnr2 auth seq id: 4
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: DTR
struct conn.ptnr2 label seq id: 4
struct conn.ptnr2 symmetry: 1_555

covale3
type: struct conn
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to struct conn type: covale
struct conn.id: covale3
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.347
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: DTR
struct conn.ptnr1 auth seq id: 4
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: DTR
struct conn.ptnr1 label seq id: 4
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: LYS
struct conn.ptnr2 auth seq id: 5
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: LYS
struct conn.ptnr2 label seq id: 5
struct conn.ptnr2 symmetry: 1_555

covale4
type: struct conn
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to struct conn type: covale
struct conn.id: covale4
struct conn.conn type id: covale
struct conn.pdbx dist value: 1.35
struct conn.pdbx leaving atom flag: both
struct conn.ptnr1 auth asym id: A
struct conn.ptnr1 auth comp id: CYS
struct conn.ptnr1 auth seq id: 7
struct conn.ptnr1 label asym id: A
struct conn.ptnr1 label atom id: C
struct conn.ptnr1 label comp id: CYS
struct conn.ptnr1 label seq id: 7
struct conn.ptnr1 symmetry: 1_555
struct conn.ptnr2 auth asym id: A
struct conn.ptnr2 auth comp id: THO
struct conn.ptnr2 auth seq id: 8
struct conn.ptnr2 label asym id: A
struct conn.ptnr2 label atom id: N
struct conn.ptnr2 label comp id: THO
struct conn.ptnr2 label seq id: 8
struct conn.ptnr2 symmetry: 1_555

2SOC
type: struct keywords
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
struct keywords.entry id: 2SOC
struct keywords.pdbx keywords: OCTREOTIDE
struct keywords.text: OCTREOTIDE, SANDOSTATIN

http://rdf.wwpdb.org/pdb/2SOC/struct_ref/1
type: struct ref
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entity: http://rdf.wwpdb.org/pdb/2SOC/entity/1
struct ref.id: 1
struct ref.db code: 2SOC
struct ref.db name: PDB
struct ref.entity id: 1
struct ref.pdbx db accession: 2SOC
referenced by struct ref seq: http://rdf.wwpdb.org/pdb/2SOC/struct_ref_seq/1

http://rdf.wwpdb.org/pdb/2SOC/struct_ref_seq/1
type: struct ref seq
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to struct ref: http://rdf.wwpdb.org/pdb/2SOC/struct_ref/1
struct ref seq.align id: 1
struct ref seq.db align beg: 1
struct ref seq.db align end: 8
struct ref seq.pdbx PDB id code: 2SOC
struct ref seq.pdbx auth seq align beg: 1
struct ref seq.pdbx auth seq align end: 8
struct ref seq.pdbx db accession: 2SOC
struct ref seq.pdbx strand id: A
struct ref seq.ref id: 1
struct ref seq.seq align beg: 1
struct ref seq.seq align end: 8

2SOC
type: symmetry
of datablock: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, TWO REPRESENTATIVE MINIMUM ENERGY PARTIALLY HELICAL STRUCTURES
reference to entry: 2SOC
symmetry.entry id: 2SOC
symmetry.int tables number: 1
symmetry.space group name H-M: P 1