info:bmrb/4753
type: datablock
datablock name: 4753
has assembly category: assemblyCategory
has assembly common name category: assembly common nameCategory
has assembly db link category: assembly db linkCategory
has assembly type category: assembly typeCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chem shift completeness char category: chem shift completeness charCategory
has chem shift completeness list category: chem shift completeness listCategory
has chem shift experiment category: chem shift experimentCategory
has chem shift ref category: chem shift refCategory
has chem shift reference category: chem shift referenceCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has citation keyword category: citation keywordCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity common name category: entity common nameCategory
has entity comp index category: entity comp indexCategory
has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has experiment category: experimentCategory
has experiment list category: experiment listCategory
has nmr spec expt category: nmr spec exptCategory
has nmr spectrometer category: nmr spectrometerCategory
has nmr spectrometer list category: nmr spectrometer listCategory
has nmr spectrometer view category: nmr spectrometer viewCategory
has related entries category: related entriesCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample component category: sample componentCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory
has software category: softwareCategory
has task category: taskCategory

4753,1
type: assembly
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
assembly.entry id: 4753
assembly.id: 1
assembly.name: D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND ZINC
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: DNA-drug
assembly.thiol state: not present

https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
referenced by assembly: 4753,1
referenced by assigned chem shift list: 4753,1
referenced by assigned chem shift list: 4753,2
referenced by chem comp: 4753,1AR
referenced by chem comp: 4753,1GL
referenced by chem comp: 4753,2GL
referenced by chem comp: 4753,DDA
referenced by chem comp: 4753,DXB
referenced by chem comp: 4753,ZN
referenced by chem comp atom: O1,1AR,4753
referenced by chem comp atom: C1,1AR,4753
referenced by chem comp atom: C2,1AR,4753
referenced by chem comp atom: C3,1AR,4753
referenced by chem comp atom: O3,1AR,4753
referenced by chem comp atom: CC3,1AR,4753
referenced by chem comp atom: C4,1AR,4753
referenced by chem comp atom: O4,1AR,4753
referenced by chem comp atom: CME,1AR,4753
referenced by chem comp atom: CO4,1AR,4753
referenced by chem comp atom: OC4,1AR,4753
referenced by chem comp atom: C5,1AR,4753
referenced by chem comp atom: O5,1AR,4753
referenced by chem comp atom: C6,1AR,4753
referenced by chem comp atom: HO1,1AR,4753
referenced by chem comp atom: H1,1AR,4753
referenced by chem comp atom: H21,1AR,4753
referenced by chem comp atom: H22,1AR,4753
referenced by chem comp atom: HO3,1AR,4753
referenced by chem comp atom: HM31,1AR,4753
referenced by chem comp atom: HM32,1AR,4753
referenced by chem comp atom: HM33,1AR,4753
referenced by chem comp atom: H4,1AR,4753
referenced by chem comp atom: HM41,1AR,4753
referenced by chem comp atom: HM42,1AR,4753
referenced by chem comp atom: HM43,1AR,4753
referenced by chem comp atom: H5,1AR,4753
referenced by chem comp atom: H61,1AR,4753
referenced by chem comp atom: H62,1AR,4753
referenced by chem comp atom: H63,1AR,4753
referenced by chem comp atom: O1,1GL,4753
referenced by chem comp atom: C1,1GL,4753
referenced by chem comp atom: C2,1GL,4753
referenced by chem comp atom: C3,1GL,4753
referenced by chem comp atom: O3,1GL,4753
referenced by chem comp atom: C4,1GL,4753
referenced by chem comp atom: O4,1GL,4753
referenced by chem comp atom: CME,1GL,4753
referenced by chem comp atom: C5,1GL,4753
referenced by chem comp atom: O5,1GL,4753
referenced by chem comp atom: C6,1GL,4753
referenced by chem comp atom: HO1,1GL,4753
referenced by chem comp atom: H1,1GL,4753
referenced by chem comp atom: H21,1GL,4753
referenced by chem comp atom: H22,1GL,4753
referenced by chem comp atom: H3,1GL,4753
referenced by chem comp atom: HO3,1GL,4753
referenced by chem comp atom: H4,1GL,4753
referenced by chem comp atom: HM41,1GL,4753
referenced by chem comp atom: HM42,1GL,4753
referenced by chem comp atom: HM43,1GL,4753
referenced by chem comp atom: H5,1GL,4753
referenced by chem comp atom: H61,1GL,4753
referenced by chem comp atom: H62,1GL,4753
referenced by chem comp atom: H63,1GL,4753
referenced by chem comp atom: O1,2GL,4753
referenced by chem comp atom: C1,2GL,4753
referenced by chem comp atom: C2,2GL,4753
referenced by chem comp atom: C3,2GL,4753
referenced by chem comp atom: O3,2GL,4753
referenced by chem comp atom: C4,2GL,4753
referenced by chem comp atom: O4,2GL,4753
referenced by chem comp atom: CME,2GL,4753
referenced by chem comp atom: CO4,2GL,4753
referenced by chem comp atom: OC4,2GL,4753
referenced by chem comp atom: C5,2GL,4753
referenced by chem comp atom: O5,2GL,4753
referenced by chem comp atom: C6,2GL,4753
referenced by chem comp atom: HO1,2GL,4753
referenced by chem comp atom: H1,2GL,4753
referenced by chem comp atom: H21,2GL,4753

1,4753,D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND ZINC,system
type: assembly common name
of datablock: info:bmrb/4753
assembly common name.assembly id: 1
assembly common name.entry id: 4753
assembly common name.name: D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND ZINC
assembly common name.type: system

1,4753,DNA-drug,abbreviation
type: assembly common name
of datablock: info:bmrb/4753
assembly common name.assembly id: 1
assembly common name.entry id: 4753
assembly common name.name: DNA-drug
assembly common name.type: abbreviation

1EKI,1,PDB,4753
type: assembly db link
of datablock: info:bmrb/4753
assembly db link.accession code: 1EKI
assembly db link.assembly id: 1
assembly db link.database code: PDB
assembly db link.entry id: 4753
assembly db link.author supplied: yes

info:pdb/1EKI

urn:miriam:pdb:1EKI

1EKH,1,PDB,4753
type: assembly db link
of datablock: info:bmrb/4753
assembly db link.accession code: 1EKH
assembly db link.assembly id: 1
assembly db link.database code: PDB
assembly db link.entry id: 4753
assembly db link.author supplied: yes

info:pdb/1EKH

urn:miriam:pdb:1EKH

1,4753,DNA-drug complex
type: assembly type
of datablock: info:bmrb/4753
assembly type.assembly id: 1
assembly type.entry id: 4753
assembly type.type: DNA-drug complex

4753,1
type: assigned chem shift list
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
assigned chem shift list.entry id: 4753
assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chemical_shift_ref_1
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_cond_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: chemical_shift_set_1

4753,2
type: assigned chem shift list
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
assigned chem shift list.entry id: 4753
assigned chem shift list.id: 2
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chemical_shift_ref_1
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_cond_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: chemical_shift_set_2

1,4753,1
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 1
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H6
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 7.68
atom chem shift.val err: 0.011

1,4753,2
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 2
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H71
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 1.75
atom chem shift.val err: 0.010

1,4753,3
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 3
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 1.75
atom chem shift.val err: 0.010

1,4753,4
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 4
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 1.75
atom chem shift.val err: 0.010

1,4753,5
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 5
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 139.66
atom chem shift.val err: 0.067

1,4753,6
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 6
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 14.38
atom chem shift.val err: 0.077

1,4753,7
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 7
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 6.03
atom chem shift.val err: 0.014

1,4753,8
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 8
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.33
atom chem shift.val err: 0.023

1,4753,9
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 9
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2''
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.62
atom chem shift.val err: 0.027

1,4753,10
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 10
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H3'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 4.74
atom chem shift.val err: 0.015

1,4753,11
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 11
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 4.14
atom chem shift.val err: 0.012

1,4753,12
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 12
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 3.81
atom chem shift.val err: 0.026

1,4753,13
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 13
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5''
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 3.81
atom chem shift.val err: 0.026

1,4753,14
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 14
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C1'
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 87.81
atom chem shift.val err: 0.092

1,4753,15
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 15
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C2'
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 40.54
atom chem shift.val err: 0.181

1,4753,16
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 16
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C3'
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 77.20
atom chem shift.val err: 0.114

1,4753,17
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 17
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C4'
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 88.49
atom chem shift.val err: 0.098

1,4753,18
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 18
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C5'
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 63.32
atom chem shift.val err: 0.131

1,4753,19
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 19
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DT
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 7.70
atom chem shift.val err: 0.012

1,4753,20
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 20
atom chem shift.ambiguity code: 1
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atom chem shift.seq id: 2
atom chem shift.val: 1.80
atom chem shift.val err: 0.014

1,4753,21
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 21
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 2
atom chem shift.val: 1.80
atom chem shift.val err: 0.014

1,4753,22
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 22
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 1.80
atom chem shift.val err: 0.014

1,4753,23
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 23
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DT
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 139.67
atom chem shift.val err: 0.076

1,4753,24
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 24
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 14.57
atom chem shift.val err: 0.089

1,4753,25
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 25
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 6.04
atom chem shift.val err: 0.019

1,4753,26
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 26
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 2
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atom chem shift.seq id: 2
atom chem shift.val: 2.63
atom chem shift.val err: 0.023

1,4753,27
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 27
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atom chem shift.seq id: 2
atom chem shift.val: 2.58
atom chem shift.val err: 0.024

1,4753,28
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 28
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atom chem shift.comp id: DT
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.96
atom chem shift.val err: 0.015

1,4753,29
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 29
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.32
atom chem shift.val err: 0.013

1,4753,30
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 30
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.19
atom chem shift.val err: 0.015

1,4753,31
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 31
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.19
atom chem shift.val err: 0.015

1,4753,32
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 32
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C1'
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 86.74
atom chem shift.val err: 0.097

1,4753,33
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 33
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 40.56
atom chem shift.val err: 0.182

1,4753,34
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 34
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 76.88
atom chem shift.val err: 0.103

1,4753,35
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 35
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 86.07
atom chem shift.val err: 0.102

1,4753,36
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 36
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 67.33
atom chem shift.val err: 0.101

1,4753,37
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 37
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: -3.78
atom chem shift.val err: 0.020

1,4753,38
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 38
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 12.83
atom chem shift.val err: 0.015

1,4753,39
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 39
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 8.73
atom chem shift.val err: 0.090

1,4753,40
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 40
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 5.84
atom chem shift.val err: 0.090

1,4753,41
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 7.83
atom chem shift.val err: 0.011

1,4753,42
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 42
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 137.56
atom chem shift.val err: 0.133

1,4753,43
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 43
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 6.35
atom chem shift.val err: 0.014

1,4753,44
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 44
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 3.11
atom chem shift.val err: 0.026

1,4753,45
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 45
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 2.39
atom chem shift.val err: 0.026

1,4753,46
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 46
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 3
atom chem shift.val: 4.86
atom chem shift.val err: 0.020

1,4753,47
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 47
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 4.33
atom chem shift.val err: 0.018

1,4753,48
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 48
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 3
atom chem shift.val: 4.38
atom chem shift.val err: 0.013

1,4753,49
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 49
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 4.28
atom chem shift.val err: 0.019

1,4753,50
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 50
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 86.35
atom chem shift.val err: 0.099

1,4753,51
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 51
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 41.84
atom chem shift.val err: 0.164

1,4753,52
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 52
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 73.93
atom chem shift.val err: 0.139

1,4753,53
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 53
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 85.44
atom chem shift.val err: 0.119

1,4753,54
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 54
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 66.76
atom chem shift.val err: 0.207

1,4753,55
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 55
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: -3.28
atom chem shift.val err: 0.030

1,4753,56
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 12.76
atom chem shift.val err: 0.017

1,4753,57
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 57
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 8.21
atom chem shift.val err: 0.022

1,4753,58
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 58
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 6.37
atom chem shift.val err: 0.027

1,4753,59
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 59
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 4
atom chem shift.val: 7.21
atom chem shift.val err: 0.017

1,4753,60
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 60
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atom chem shift.comp index id: 4
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atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 136.82
atom chem shift.val err: 0.133

1,4753,61
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 61
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 5.67
atom chem shift.val err: 0.020

1,4753,62
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 62
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 2.77
atom chem shift.val err: 0.024

1,4753,63
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 63
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 2.39
atom chem shift.val err: 0.019

1,4753,64
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 64
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 4.21
atom chem shift.val err: 0.028

1,4753,65
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 65
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 3.86
atom chem shift.val err: 0.019

1,4753,66
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 66
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 4.23
atom chem shift.val err: 0.019

1,4753,67
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 67
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 4.07
atom chem shift.val err: 0.026

1,4753,68
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 68
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 87.51
atom chem shift.val err: 0.105

1,4753,69
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 69
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 44.38
atom chem shift.val err: 0.133

1,4753,70
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 73.49
atom chem shift.val err: 0.259

1,4753,71
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 71
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 87.21
atom chem shift.val err: 0.157

1,4753,72
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 72
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 69.18
atom chem shift.val err: 0.387

1,4753,73
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 73
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: -3.48
atom chem shift.val err: 0.030

1,4753,74
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 74
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atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 6.81
atom chem shift.val err: 0.027

1,4753,75
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 75
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 8.29
atom chem shift.val err: 0.028

1,4753,76
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 76
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 5.28
atom chem shift.val err: 0.018

1,4753,77
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 77
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atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.15
atom chem shift.val err: 0.017

1,4753,78
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 78
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atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 97.36
atom chem shift.val err: 0.118

1,4753,79
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 141.57
atom chem shift.val err: 0.131

1,4753,80
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 80
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 5.68
atom chem shift.val err: 0.014

1,4753,81
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 81
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 1.71
atom chem shift.val err: 0.031

1,4753,82
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 82
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 2.13
atom chem shift.val err: 0.019

1,4753,83
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 83
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atom chem shift.seq id: 5
atom chem shift.val: 4.16
atom chem shift.val err: 0.022

1,4753,84
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 84
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atom chem shift.val: 1.58
atom chem shift.val err: 0.022

1,4753,85
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.seq id: 5
atom chem shift.val: 3.60
atom chem shift.val err: 0.023

1,4753,86
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 3.31
atom chem shift.val err: 0.022

1,4753,87
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.seq id: 5
atom chem shift.val: 88.12
atom chem shift.val err: 0.118

1,4753,88
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 88
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atom chem shift.seq id: 5
atom chem shift.val: 72.97
atom chem shift.val err: 0.111

1,4753,89
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 89
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atom chem shift.seq id: 5
atom chem shift.val: 83.93
atom chem shift.val err: 0.116

1,4753,90
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 90
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atom chem shift.seq id: 5
atom chem shift.val: 63.01
atom chem shift.val err: 0.122

1,4753,91
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 91
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atom chem shift.seq id: 5
atom chem shift.val: -4.66
atom chem shift.val err: 0.020

1,4753,92
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 92
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atom chem shift.val: 6.59
atom chem shift.val err: 0.027

1,4753,93
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 8.46
atom chem shift.val err: 0.027

1,4753,94
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 5.51
atom chem shift.val err: 0.020

1,4753,95
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 95
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atom chem shift.seq id: 6
atom chem shift.val: 7.56
atom chem shift.val err: 0.016

1,4753,96
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 96
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atom chem shift.seq id: 6
atom chem shift.val: 98.13
atom chem shift.val err: 0.121

1,4753,97
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 97
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atom chem shift.seq id: 6
atom chem shift.val: 142.42
atom chem shift.val err: 0.138

1,4753,98
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 98
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atom chem shift.val: 6.19
atom chem shift.val err: 0.015

1,4753,99
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 2.10
atom chem shift.val err: 0.029

1,4753,100
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 100
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atom chem shift.seq id: 6
atom chem shift.val: 2.35
atom chem shift.val err: 0.023

1,4753,101
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val err: 0.015

1,4753,102
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 4.61
atom chem shift.val err: 0.015

1,4753,103
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 103
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atom chem shift.val: 3.45
atom chem shift.val err: 0.025

1,4753,104
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 104
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atom chem shift.val: 4.21
atom chem shift.val err: 0.023

1,4753,105
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 105
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atom chem shift.val: 88.53
atom chem shift.val err: 0.094

1,4753,106
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 106
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atom chem shift.val: 42.27
atom chem shift.val err: 0.197

1,4753,107
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 107
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atom chem shift.val: 76.64
atom chem shift.val err: 0.133

1,4753,108
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
atom chem shift.id: 108
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atom chem shift.val: 86.15
atom chem shift.val err: 0.119

1,4753,109
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val err: 0.133

1,4753,110
type: atom chem shift
of datablock: info:bmrb/4753
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1,4753,111
type: atom chem shift
of datablock: info:bmrb/4753
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1,4753,112
type: atom chem shift
of datablock: info:bmrb/4753
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1,4753,113
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.seq id: 7
atom chem shift.val: 154.33
atom chem shift.val err: 0.106

1,4753,114
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.seq id: 7
atom chem shift.val: 141.83
atom chem shift.val err: 0.102

1,4753,115
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.seq id: 7
atom chem shift.val: 6.11
atom chem shift.val err: 0.019

1,4753,116
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.seq id: 7
atom chem shift.val: 2.64
atom chem shift.val err: 0.031

1,4753,117
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 2.86
atom chem shift.val err: 0.028

1,4753,118
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 5.02
atom chem shift.val err: 0.013

1,4753,119
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 4.26
atom chem shift.val err: 0.013

1,4753,120
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.83
atom chem shift.val err: 0.023

1,4753,121
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.14
atom chem shift.val err: 0.019

1,4753,122
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 85.71
atom chem shift.val err: 0.137

1,4753,123
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 41.67
atom chem shift.val err: 0.133

1,4753,124
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.seq id: 7
atom chem shift.val: 81.69
atom chem shift.val err: 0.094

1,4753,125
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 88.04
atom chem shift.val err: 0.106

1,4753,126
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 68.76
atom chem shift.val err: 0.152

1,4753,127
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -4.66
atom chem shift.val err: 0.020

1,4753,128
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.78
atom chem shift.val err: 0.014

1,4753,129
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.09
atom chem shift.val err: 0.010

1,4753,130
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 154.92
atom chem shift.val err: 0.089

1,4753,131
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 141.80
atom chem shift.val err: 0.082

1,4753,132
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.22
atom chem shift.val err: 0.017

1,4753,133
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.62
atom chem shift.val err: 0.023

1,4753,134
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.34
atom chem shift.val err: 0.024

1,4753,135
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val: 4.72
atom chem shift.val err: 0.015

1,4753,136
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4753
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atom chem shift.val err: 0.016

1,4753,137
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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1,4753,138
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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1,4753,139
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atom chem shift.assigned chem shift list id: 1
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1,4753,140
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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1,4753,141
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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1,4753,142
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,4753,143
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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1,4753,144
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 1
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2,4753,145
type: atom chem shift
of datablock: info:bmrb/4753
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atom chem shift.val: 96.42
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2,4753,146
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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2,4753,147
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 33.62
atom chem shift.val err: 0.199

2,4753,148
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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2,4753,149
type: atom chem shift
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atom chem shift.assigned chem shift list id: 2
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2,4753,150
type: atom chem shift
of datablock: info:bmrb/4753
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2,4753,151
type: atom chem shift
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atom chem shift.assigned chem shift list id: 2
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2,4753,152
type: atom chem shift
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2,4753,153
type: atom chem shift
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2,4753,154
type: atom chem shift
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2,4753,155
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atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.61
atom chem shift.val err: 0.010

2,4753,156
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 156
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atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 70.16
atom chem shift.val err: 0.127

2,4753,157
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 157
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atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.94
atom chem shift.val err: 0.017

2,4753,158
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 158
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atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 19.48
atom chem shift.val err: 0.094

2,4753,159
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 159
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atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.32
atom chem shift.val err: 0.013

2,4753,160
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 160
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atom chem shift.seq id: 2
atom chem shift.val: 100.21
atom chem shift.val err: 0.127

2,4753,161
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 161
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atom chem shift.seq id: 2
atom chem shift.val: 5.69
atom chem shift.val err: 0.019

2,4753,162
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 162
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atom chem shift.seq id: 2
atom chem shift.val: 36.26
atom chem shift.val err: 0.199

2,4753,163
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.seq id: 2
atom chem shift.val: 2.13
atom chem shift.val err: 0.028

2,4753,164
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.entity assembly id: 3
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atom chem shift.seq id: 2
atom chem shift.val: 2.43
atom chem shift.val err: 0.020

2,4753,165
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 70.79
atom chem shift.val err: 0.197

2,4753,166
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 166
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atom chem shift.val: 4.39
atom chem shift.val err: 0.023

2,4753,167
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 70.98
atom chem shift.val err: 0.092

2,4753,168
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 168
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atom chem shift.val: 5.33
atom chem shift.val err: 0.011

2,4753,169
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 23.43
atom chem shift.val err: 0.055

2,4753,170
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val err: 0.010

2,4753,171
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 70.87
atom chem shift.val err: 0.099

2,4753,172
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 4.15
atom chem shift.val err: 0.017

2,4753,173
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 19.61
atom chem shift.val err: 0.097

2,4753,174
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 1.42
atom chem shift.val err: 0.014

2,4753,175
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 80.82
atom chem shift.val err: 0.160

2,4753,176
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 4.59
atom chem shift.val err: 0.022

2,4753,177
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 2.77
atom chem shift.val err: 0.027

2,4753,178
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 30.63
atom chem shift.val err: 0.153

2,4753,179
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 2.77
atom chem shift.val err: 0.021

2,4753,180
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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2,4753,181
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val err: 0.096

2,4753,182
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val: 6.91
atom chem shift.val err: 0.012

2,4753,183
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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2,4753,184
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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2,4753,185
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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2,4753,186
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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2,4753,187
type: atom chem shift
of datablock: info:bmrb/4753
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2,4753,188
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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atom chem shift.val err: 0.011

2,4753,189
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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2,4753,190
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
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2,4753,191
type: atom chem shift
of datablock: info:bmrb/4753
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2,4753,192
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
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2,4753,193
type: atom chem shift
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2,4753,194
type: atom chem shift
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atom chem shift.assigned chem shift list id: 2
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2,4753,195
type: atom chem shift
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2,4753,196
type: atom chem shift
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2,4753,197
type: atom chem shift
of datablock: info:bmrb/4753
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atom chem shift.val: 94.22
atom chem shift.val err: 0.110

2,4753,198
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 198
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 5.09
atom chem shift.val err: 0.013

2,4753,199
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 199
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 46.46
atom chem shift.val err: 0.099

2,4753,200
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 200
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 2.50
atom chem shift.val err: 0.027

2,4753,201
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 201
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2E
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 2.16
atom chem shift.val err: 0.024

2,4753,202
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 202
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CC3
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 23.99
atom chem shift.val err: 0.093

2,4753,203
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 203
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HM3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 1.55
atom chem shift.val err: 0.013

2,4753,204
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 204
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C4
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 82.73
atom chem shift.val err: 0.099

2,4753,205
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 205
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 5.14
atom chem shift.val err: 0.019

2,4753,206
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 206
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CME
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 23.33
atom chem shift.val err: 0.089

2,4753,207
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 207
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HM4
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 2.30
atom chem shift.val err: 0.009

2,4753,208
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 208
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C5
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 68.94
atom chem shift.val err: 0.110

2,4753,209
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 209
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 4.32
atom chem shift.val err: 0.020

2,4753,210
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 210
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 21.00
atom chem shift.val err: 0.123

2,4753,211
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 211
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HM6
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: 1AR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 4
atom chem shift.val: 1.70
atom chem shift.val err: 0.015

2,4753,212
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 212
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 101.18
atom chem shift.val err: 0.109

2,4753,213
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 213
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 2.56
atom chem shift.val err: 0.022

2,4753,214
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 214
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 38.06
atom chem shift.val err: 0.175

2,4753,215
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 215
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 1.11
atom chem shift.val err: 0.025

2,4753,216
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 216
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2E
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 2.08
atom chem shift.val err: 0.022

2,4753,217
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 217
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C3
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 74.51
atom chem shift.val err: 0.093

2,4753,218
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 218
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 3.65
atom chem shift.val err: 0.020

2,4753,219
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 219
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C4
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 77.98
atom chem shift.val err: 0.136

2,4753,220
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 220
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 3.01
atom chem shift.val err: 0.018

2,4753,221
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 221
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HO4
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 3.82
atom chem shift.val err: 0.020

2,4753,222
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 222
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C5
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 73.56
atom chem shift.val err: 0.135

2,4753,223
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 223
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 3.25
atom chem shift.val err: 0.023

2,4753,224
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 224
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 20.01
atom chem shift.val err: 0.100

2,4753,225
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 225
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HM6
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 5
atom chem shift.val: 1.26
atom chem shift.val err: 0.015

2,4753,226
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 226
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 104.44
atom chem shift.val err: 0.171

2,4753,227
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 227
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 4.86
atom chem shift.val err: 0.019

2,4753,228
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 228
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 40.13
atom chem shift.val err: 0.133

2,4753,229
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 229
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 1.78
atom chem shift.val err: 0.029

2,4753,230
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2E
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 2.40
atom chem shift.val err: 0.022

2,4753,231
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 231
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C3
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 85.15
atom chem shift.val err: 0.098

2,4753,232
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 232
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 2.25
atom chem shift.val err: 0.024

2,4753,233
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 233
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C4
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 77.68
atom chem shift.val err: 0.112

2,4753,234
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 234
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 2.95
atom chem shift.val err: 0.019

2,4753,235
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 235
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C5
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 74.34
atom chem shift.val err: 0.162

2,4753,236
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 236
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 2.88
atom chem shift.val err: 0.023

2,4753,237
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 237
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 20.01
atom chem shift.val err: 0.100

2,4753,238
type: atom chem shift
of datablock: info:bmrb/4753
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4753
atom chem shift.id: 238
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HM6
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: DDA
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.seq id: 6
atom chem shift.val: 1.26
atom chem shift.val err: 0.013

4753,1AR
type: chem comp
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp.entry id: 4753
chem comp.id: 1AR
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:38:50 2011
chem comp.formal charge: 0
chem comp.formula: C9 H16 O5
chem comp.formula weight: 204.220
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: 4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE
chem comp.pdb code: 1AR
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1AR
chem comp.three letter code: 1AR
chem comp.type: OTHER

info:pdb-ccd/1AR

urn:miriam:pdb-ccd:1AR

info:pdb.ligand/1AR

urn:miriam:pdb.ligand:1AR

4753,1GL
type: chem comp
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp.entry id: 4753
chem comp.id: 1GL
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:40:17 2011
chem comp.formal charge: 0
chem comp.formula: C7 H14 O4
chem comp.formula weight: 162.184
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 1EKH
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: 4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE
chem comp.pdb code: 1GL
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.replaces: BRI
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1GL
chem comp.three letter code: 1GL
chem comp.type: D-SACCHARIDE

info:pdb-ccd/1GL

urn:miriam:pdb-ccd:1GL

info:pdb.ligand/1GL

urn:miriam:pdb.ligand:1GL

4753,2GL
type: chem comp
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp.entry id: 4753
chem comp.id: 2GL
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:44:52 2011
chem comp.formal charge: 0
chem comp.formula: C8 H14 O5
chem comp.formula weight: 190.194
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 1EKH
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: 4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE
chem comp.pdb code: 2GL
chem comp.processing site: PDBJ
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_2GL
chem comp.three letter code: 2GL
chem comp.type: D-SACCHARIDE

info:pdb-ccd/2GL

urn:miriam:pdb-ccd:2GL

info:pdb.ligand/2GL

urn:miriam:pdb.ligand:2GL

4753,DDA
type: chem comp
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp.entry id: 4753
chem comp.id: DDA
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:46:10 2011
chem comp.formal charge: 0
chem comp.formula: C6 H12 O4
chem comp.formula weight: 148.157
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 1EKH
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: 2,6-DIDEOXY-BETA-D-GLUCOSE
chem comp.pdb code: DDA
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DDA
chem comp.synonyms: 2,6-DIDEOXY-BETA-D-MANNOSE
chem comp.three letter code: DDA
chem comp.type: D-SACCHARIDE

info:pdb-ccd/DDA

urn:miriam:pdb-ccd:DDA

info:pdb.ligand/DDA

urn:miriam:pdb.ligand:DDA

4753,DXB
type: chem comp
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp.entry id: 4753
chem comp.id: DXB
chem comp.ambiguous flag: no
chem comp.aromatic: yes
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 11:48:13 2011
chem comp.formal charge: 0
chem comp.formula: C21 H24 O7
chem comp.formula weight: 388.411
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 1BP8
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE
chem comp.pdb code: DXB
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DXB
chem comp.three letter code: DXB
chem comp.type: NON-POLYMER

info:pdb-ccd/DXB

urn:miriam:pdb-ccd:DXB

info:pdb.ligand/DXB

urn:miriam:pdb.ligand:DXB

4753,ZN
type: chem comp
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp.entry id: 4753
chem comp.id: ZN
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:28:58 2011
chem comp.formal charge: 2+
chem comp.formula: Zn
chem comp.formula weight: 65.409
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: ZINC ION
chem comp.pdb code: ZN
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_ZN
chem comp.three letter code: ZN
chem comp.type: NON-POLYMER

info:pdb-ccd/ZN

urn:miriam:pdb-ccd:ZN

info:pdb.ligand/ZN

urn:miriam:pdb.ligand:ZN

O1,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O1
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: -8.620
chem comp atom.model cartn x ideal: 0.777
chem comp atom.model cartn y: -0.081
chem comp atom.model cartn y ideal: 0.231
chem comp atom.model cartn z: -3.122
chem comp atom.model cartn z ideal: -3.774
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C1
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.894
chem comp atom.model cartn x ideal: 0.401
chem comp atom.model cartn y: -1.304
chem comp atom.model cartn y ideal: -0.190
chem comp atom.model cartn z: -2.391
chem comp atom.model cartn z ideal: -2.462
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C2,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C2
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.121
chem comp atom.model cartn x ideal: -0.881
chem comp atom.model cartn y: -1.927
chem comp atom.model cartn y ideal: 0.533
chem comp atom.model cartn z: -3.027
chem comp atom.model cartn z ideal: -2.045
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C3
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.336
chem comp atom.model cartn x ideal: -1.295
chem comp atom.model cartn y: -1.021
chem comp atom.model cartn y ideal: 0.051
chem comp atom.model cartn z: -3.163
chem comp atom.model cartn z ideal: -0.650
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O3,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O3
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.285
chem comp atom.model cartn x ideal: -2.404
chem comp atom.model cartn y: -1.706
chem comp atom.model cartn y ideal: 0.823
chem comp atom.model cartn z: -3.954
chem comp atom.model cartn z ideal: -0.185
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CC3,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CC3
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.022
chem comp atom.model cartn x ideal: -1.688
chem comp atom.model cartn y: -0.770
chem comp atom.model cartn y ideal: -1.426
chem comp atom.model cartn z: -1.833
chem comp atom.model cartn z ideal: -0.713
chem comp atom.pdb atom id: CC3
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C4
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.895
chem comp atom.model cartn x ideal: -0.107
chem comp atom.model cartn y: 0.285
chem comp atom.model cartn y ideal: 0.228
chem comp atom.model cartn z: -3.841
chem comp atom.model cartn z ideal: 0.301
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O4,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O4
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.962
chem comp atom.model cartn x ideal: -0.425
chem comp atom.model cartn y: 1.308
chem comp atom.model cartn y ideal: -0.359
chem comp atom.model cartn z: -3.921
chem comp atom.model cartn z ideal: 1.590
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CME,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CME
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.807
chem comp atom.model cartn x ideal: -0.214
chem comp atom.model cartn y: 3.139
chem comp atom.model cartn y ideal: -0.464
chem comp atom.model cartn z: -5.083
chem comp atom.model cartn z ideal: 4.048
chem comp atom.pdb atom id: CME
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CO4,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CO4
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.343
chem comp atom.model cartn x ideal: 0.116
chem comp atom.model cartn y: 1.707
chem comp atom.model cartn y ideal: 0.145
chem comp atom.model cartn z: -5.162
chem comp atom.model cartn z ideal: 2.710
chem comp atom.pdb atom id: CO4
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

OC4,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: OC4
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.040
chem comp atom.model cartn x ideal: 0.868
chem comp atom.model cartn y: 1.171
chem comp atom.model cartn y ideal: 1.088
chem comp atom.model cartn z: -6.211
chem comp atom.model cartn z ideal: 2.645
chem comp atom.pdb atom id: OC4
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C5,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C5
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.704
chem comp atom.model cartn x ideal: 1.116
chem comp atom.model cartn y: 0.879
chem comp atom.model cartn y ideal: -0.473
chem comp atom.model cartn z: -3.091
chem comp atom.model cartn z ideal: -0.292
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O5,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O5
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.204
chem comp atom.model cartn x ideal: 1.450
chem comp atom.model cartn y: -1.207
chem comp atom.model cartn y ideal: 0.118
chem comp atom.model cartn z: -0.985
chem comp atom.model cartn z ideal: -1.546
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C6,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C6
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.205
chem comp atom.model cartn x ideal: 2.299
chem comp atom.model cartn y: 2.088
chem comp atom.model cartn y ideal: -0.333
chem comp atom.model cartn z: -3.853
chem comp atom.model cartn z ideal: 0.667
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: C

HO1,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO1
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.851
chem comp atom.model cartn x ideal: 1.584
chem comp atom.model cartn y: 0.309
chem comp atom.model cartn y ideal: -0.249
chem comp atom.model cartn z: -2.723
chem comp atom.model cartn z ideal: -4.002
chem comp atom.pdb atom id: HO1
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H1,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H1
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.957
chem comp atom.model cartn x ideal: 0.225
chem comp atom.model cartn y: -1.903
chem comp atom.model cartn y ideal: -1.265
chem comp atom.model cartn z: -2.462
chem comp atom.model cartn z ideal: -2.463
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H21,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H21
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.810
chem comp atom.model cartn x ideal: -0.701
chem comp atom.model cartn y: -2.232
chem comp atom.model cartn y ideal: 1.608
chem comp atom.model cartn z: -4.046
chem comp atom.model cartn z ideal: -2.020
chem comp atom.pdb atom id: H21
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H22,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H22
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.385
chem comp atom.model cartn x ideal: -1.674
chem comp atom.model cartn y: -2.838
chem comp atom.model cartn y ideal: 0.310
chem comp atom.model cartn z: -2.455
chem comp atom.model cartn z ideal: -2.758
chem comp atom.pdb atom id: H22
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO3
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.331
chem comp atom.model cartn x ideal: -3.122
chem comp atom.model cartn y: -2.594
chem comp atom.model cartn y ideal: 0.691
chem comp atom.model cartn z: -3.577
chem comp atom.model cartn z ideal: -0.820
chem comp atom.pdb atom id: HO3
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM31,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM31
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.235
chem comp atom.model cartn x ideal: -2.524
chem comp atom.model cartn y: -1.734
chem comp atom.model cartn y ideal: -1.550
chem comp atom.model cartn z: -1.327
chem comp atom.model cartn z ideal: -1.402
chem comp atom.pdb atom id: HM31
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM32,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM32
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.405
chem comp atom.model cartn x ideal: -0.839
chem comp atom.model cartn y: -0.154
chem comp atom.model cartn y ideal: -2.013
chem comp atom.model cartn z: -1.150
chem comp atom.model cartn z ideal: -1.062
chem comp atom.pdb atom id: HM32
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM33,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM33
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.977
chem comp atom.model cartn x ideal: -1.983
chem comp atom.model cartn y: -0.231
chem comp atom.model cartn y ideal: -1.766
chem comp atom.model cartn z: -1.997
chem comp atom.model cartn z ideal: 0.278
chem comp atom.pdb atom id: HM33
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H4
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.535
chem comp atom.model cartn x ideal: 0.105
chem comp atom.model cartn y: 0.008
chem comp atom.model cartn y ideal: 1.289
chem comp atom.model cartn z: -4.858
chem comp atom.model cartn z ideal: 0.427
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM41,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM41
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -13.183
chem comp atom.model cartn x ideal: 0.314
chem comp atom.model cartn y: 3.441
chem comp atom.model cartn y ideal: 0.075
chem comp atom.model cartn z: -6.082
chem comp atom.model cartn z ideal: 4.834
chem comp atom.pdb atom id: HM41
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM42,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM42
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -13.607
chem comp atom.model cartn x ideal: -1.288
chem comp atom.model cartn y: 3.264
chem comp atom.model cartn y ideal: -0.398
chem comp atom.model cartn z: -4.327
chem comp atom.model cartn z ideal: 4.222
chem comp atom.pdb atom id: HM42
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM43,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM43
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.946
chem comp atom.model cartn x ideal: 0.091
chem comp atom.model cartn y: 3.792
chem comp atom.model cartn y ideal: -1.510
chem comp atom.model cartn z: -4.829
chem comp atom.model cartn z ideal: 4.056
chem comp atom.pdb atom id: HM43
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H5
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.945
chem comp atom.model cartn x ideal: 0.892
chem comp atom.model cartn y: 1.136
chem comp atom.model cartn y ideal: -1.530
chem comp atom.model cartn z: -2.037
chem comp atom.model cartn z ideal: -0.439
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H61
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.922
chem comp atom.model cartn x ideal: 3.170
chem comp atom.model cartn y: 2.931
chem comp atom.model cartn y ideal: -0.835
chem comp atom.model cartn z: -3.779
chem comp atom.model cartn z ideal: 0.246
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H62
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.234
chem comp atom.model cartn x ideal: 2.524
chem comp atom.model cartn y: 2.424
chem comp atom.model cartn y ideal: 0.722
chem comp atom.model cartn z: -3.433
chem comp atom.model cartn z ideal: 0.814
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H63,1AR,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H63
chem comp atom.comp id: 1AR
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.047
chem comp atom.model cartn x ideal: 2.046
chem comp atom.model cartn y: 1.849
chem comp atom.model cartn y ideal: -0.788
chem comp atom.model cartn z: -4.926
chem comp atom.model cartn z ideal: 1.625
chem comp atom.pdb atom id: H63
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: H

O1,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O1
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 11.223
chem comp atom.model cartn x ideal: 0.746
chem comp atom.model cartn y: -3.851
chem comp atom.model cartn y ideal: -0.584
chem comp atom.model cartn z: -2.823
chem comp atom.model cartn z ideal: -2.456
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C1
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.027
chem comp atom.model cartn x ideal: 0.568
chem comp atom.model cartn y: -5.019
chem comp atom.model cartn y ideal: 0.646
chem comp atom.model cartn z: -3.145
chem comp atom.model cartn z ideal: -1.751
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C2,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C2
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.336
chem comp atom.model cartn x ideal: 1.490
chem comp atom.model cartn y: -4.479
chem comp atom.model cartn y ideal: 0.669
chem comp atom.model cartn z: -3.690
chem comp atom.model cartn z ideal: -0.530
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C3
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.123
chem comp atom.model cartn x ideal: 1.157
chem comp atom.model cartn y: -3.710
chem comp atom.model cartn y ideal: -0.526
chem comp atom.model cartn z: -4.969
chem comp atom.model cartn z ideal: 0.372
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O3,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O3
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.365
chem comp atom.model cartn x ideal: 1.907
chem comp atom.model cartn y: -3.157
chem comp atom.model cartn y ideal: -0.434
chem comp atom.model cartn z: -5.408
chem comp atom.model cartn z ideal: 1.585
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C4,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C4
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.413
chem comp atom.model cartn x ideal: -0.342
chem comp atom.model cartn y: -4.597
chem comp atom.model cartn y ideal: -0.498
chem comp atom.model cartn z: -6.004
chem comp atom.model cartn z ideal: 0.685
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O4,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O4
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.306
chem comp atom.model cartn x ideal: -0.643
chem comp atom.model cartn y: -5.711
chem comp atom.model cartn y ideal: 0.650
chem comp atom.model cartn z: -6.396
chem comp atom.model cartn z ideal: 1.479
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CME,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CME
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.803
chem comp atom.model cartn x ideal: -0.511
chem comp atom.model cartn y: -5.456
chem comp atom.model cartn y ideal: 0.254
chem comp atom.model cartn z: -7.722
chem comp atom.model cartn z ideal: 2.845
chem comp atom.pdb atom id: CME
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C5
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.126
chem comp atom.model cartn x ideal: -1.126
chem comp atom.model cartn y: -5.182
chem comp atom.model cartn y ideal: -0.433
chem comp atom.model cartn z: -5.382
chem comp atom.model cartn z ideal: -0.627
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O5,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O5
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.469
chem comp atom.model cartn x ideal: -0.790
chem comp atom.model cartn y: -5.905
chem comp atom.model cartn y ideal: 0.760
chem comp atom.model cartn z: -4.152
chem comp atom.model cartn z ideal: -1.332
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C6,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C6
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.426
chem comp atom.model cartn x ideal: -2.626
chem comp atom.model cartn y: -6.140
chem comp atom.model cartn y ideal: -0.438
chem comp atom.model cartn z: -6.324
chem comp atom.model cartn z ideal: -0.325
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

HO1,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO1
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.403
chem comp atom.model cartn x ideal: 0.152
chem comp atom.model cartn y: -4.189
chem comp atom.model cartn y ideal: -0.557
chem comp atom.model cartn z: -2.481
chem comp atom.model cartn z ideal: -3.219
chem comp atom.pdb atom id: HO1
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H1,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H1
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.109
chem comp atom.model cartn x ideal: 0.815
chem comp atom.model cartn y: -5.632
chem comp atom.model cartn y ideal: 1.479
chem comp atom.model cartn z: -2.217
chem comp atom.model cartn z ideal: -2.409
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H21,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H21
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.873
chem comp atom.model cartn x ideal: 2.528
chem comp atom.model cartn y: -3.866
chem comp atom.model cartn y ideal: 0.602
chem comp atom.model cartn z: -2.929
chem comp atom.model cartn z ideal: -0.856
chem comp atom.pdb atom id: H21
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H22,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H22
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.089
chem comp atom.model cartn x ideal: 1.340
chem comp atom.model cartn y: -5.290
chem comp atom.model cartn y ideal: 1.596
chem comp atom.model cartn z: -3.821
chem comp atom.model cartn z ideal: 0.022
chem comp atom.pdb atom id: H22
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H3
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.442
chem comp atom.model cartn x ideal: 1.407
chem comp atom.model cartn y: -2.841
chem comp atom.model cartn y ideal: -1.454
chem comp atom.model cartn z: -4.805
chem comp atom.model cartn z ideal: -0.142
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO3
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.230
chem comp atom.model cartn x ideal: 2.842
chem comp atom.model cartn y: -2.672
chem comp atom.model cartn y ideal: -0.442
chem comp atom.model cartn z: -6.214
chem comp atom.model cartn z ideal: 1.336
chem comp atom.pdb atom id: HO3
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H4
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.156
chem comp atom.model cartn x ideal: -0.618
chem comp atom.model cartn y: -3.985
chem comp atom.model cartn y ideal: -1.400
chem comp atom.model cartn z: -6.900
chem comp atom.model cartn z ideal: 1.230
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM41,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM41
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.475
chem comp atom.model cartn x ideal: -0.733
chem comp atom.model cartn y: -6.294
chem comp atom.model cartn y ideal: 1.103
chem comp atom.model cartn z: -8.017
chem comp atom.model cartn z ideal: 3.493
chem comp atom.pdb atom id: HM41
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM42,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM42
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.984
chem comp atom.model cartn x ideal: -1.208
chem comp atom.model cartn y: -5.284
chem comp atom.model cartn y ideal: -0.555
chem comp atom.model cartn z: -8.459
chem comp atom.model cartn z ideal: 3.058
chem comp atom.pdb atom id: HM42
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM43,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM43
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.298
chem comp atom.model cartn x ideal: 0.507
chem comp atom.model cartn y: -4.460
chem comp atom.model cartn y ideal: -0.085
chem comp atom.model cartn z: -7.808
chem comp atom.model cartn z ideal: 3.028
chem comp atom.pdb atom id: HM43
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H5
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.436
chem comp atom.model cartn x ideal: -0.877
chem comp atom.model cartn y: -4.331
chem comp atom.model cartn y ideal: -1.299
chem comp atom.model cartn z: -5.169
chem comp atom.model cartn z ideal: -1.241
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H61
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 9.496
chem comp atom.model cartn x ideal: -3.185
chem comp atom.model cartn y: -6.562
chem comp atom.model cartn y ideal: -0.392
chem comp atom.model cartn z: -5.875
chem comp atom.model cartn z ideal: -1.259
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H62
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.217
chem comp atom.model cartn x ideal: -2.886
chem comp atom.model cartn y: -5.659
chem comp atom.model cartn y ideal: -1.352
chem comp atom.model cartn z: -7.308
chem comp atom.model cartn z ideal: 0.209
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H63,1GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H63
chem comp atom.comp id: 1GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.114
chem comp atom.model cartn x ideal: -2.875
chem comp atom.model cartn y: -6.948
chem comp atom.model cartn y ideal: 0.425
chem comp atom.model cartn z: -6.664
chem comp atom.model cartn z ideal: 0.290
chem comp atom.pdb atom id: H63
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

O1,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O1
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: -8.083
chem comp atom.model cartn x ideal: -0.173
chem comp atom.model cartn y: 3.360
chem comp atom.model cartn y ideal: -0.168
chem comp atom.model cartn z: 0.935
chem comp atom.model cartn z ideal: -2.636
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C1
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.694
chem comp atom.model cartn x ideal: 0.851
chem comp atom.model cartn y: 3.647
chem comp atom.model cartn y ideal: 0.516
chem comp atom.model cartn z: -0.417
chem comp atom.model cartn z ideal: -1.915
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C2,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C2
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.977
chem comp atom.model cartn x ideal: 0.971
chem comp atom.model cartn y: 3.938
chem comp atom.model cartn y ideal: -0.072
chem comp atom.model cartn z: -1.115
chem comp atom.model cartn z ideal: -0.507
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C3
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.686
chem comp atom.model cartn x ideal: 2.015
chem comp atom.model cartn y: 5.120
chem comp atom.model cartn y ideal: 0.676
chem comp atom.model cartn z: -0.474
chem comp atom.model cartn z ideal: 0.316
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O3,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O3
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.006
chem comp atom.model cartn x ideal: 3.316
chem comp atom.model cartn y: 5.147
chem comp atom.model cartn y ideal: 0.395
chem comp atom.model cartn z: -1.115
chem comp atom.model cartn z ideal: -0.192
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C4,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C4
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.830
chem comp atom.model cartn x ideal: 1.737
chem comp atom.model cartn y: 4.916
chem comp atom.model cartn y ideal: 2.178
chem comp atom.model cartn z: 1.050
chem comp atom.model cartn z ideal: 0.257
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O4,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O4
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.765
chem comp atom.model cartn x ideal: 2.762
chem comp atom.model cartn y: 3.818
chem comp atom.model cartn y ideal: 2.888
chem comp atom.model cartn z: 1.366
chem comp atom.model cartn z ideal: 0.938
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CME,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CME
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.329
chem comp atom.model cartn x ideal: 3.735
chem comp atom.model cartn y: 2.580
chem comp atom.model cartn y ideal: 4.850
chem comp atom.model cartn z: 2.456
chem comp atom.model cartn z ideal: 1.766
chem comp atom.pdb atom id: CME
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CO4,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CO4
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.702
chem comp atom.model cartn x ideal: 2.583
chem comp atom.model cartn y: 3.938
chem comp atom.model cartn y ideal: 4.237
chem comp atom.model cartn z: 2.290
chem comp atom.model cartn z ideal: 1.028
chem comp atom.pdb atom id: CO4
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

OC4,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: OC4
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.866
chem comp atom.model cartn x ideal: 1.637
chem comp atom.model cartn y: 4.869
chem comp atom.model cartn y ideal: 4.875
chem comp atom.model cartn z: 3.058
chem comp atom.model cartn z ideal: 0.583
chem comp atom.pdb atom id: OC4
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C5,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C5
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.401
chem comp atom.model cartn x ideal: 1.537
chem comp atom.model cartn y: 4.608
chem comp atom.model cartn y ideal: 2.704
chem comp atom.model cartn z: 1.539
chem comp atom.model cartn z ideal: -1.173
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O5,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O5
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.138
chem comp atom.model cartn x ideal: 0.569
chem comp atom.model cartn y: 2.497
chem comp atom.model cartn y ideal: 1.916
chem comp atom.model cartn z: -1.066
chem comp atom.model cartn z ideal: -1.874
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C6,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C6
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.325
chem comp atom.model cartn x ideal: 2.811
chem comp atom.model cartn y: 4.501
chem comp atom.model cartn y ideal: 2.881
chem comp atom.model cartn z: 3.052
chem comp atom.model cartn z ideal: -1.999
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: C

HO1,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO1
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.264
chem comp atom.model cartn x ideal: -0.497
chem comp atom.model cartn y: 3.174
chem comp atom.model cartn y ideal: 0.450
chem comp atom.model cartn z: 1.380
chem comp atom.model cartn z ideal: -3.310
chem comp atom.pdb atom id: HO1
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H1,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H1
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -6.969
chem comp atom.model cartn x ideal: 1.780
chem comp atom.model cartn y: 4.469
chem comp atom.model cartn y ideal: 0.361
chem comp atom.model cartn z: -0.500
chem comp atom.model cartn z ideal: -2.475
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H21,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H21
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.627
chem comp atom.model cartn x ideal: 1.221
chem comp atom.model cartn y: 3.042
chem comp atom.model cartn y ideal: -1.137
chem comp atom.model cartn z: -1.096
chem comp atom.model cartn z ideal: -0.580
chem comp atom.pdb atom id: H21
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H22,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H22
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.682
chem comp atom.model cartn x ideal: -0.003
chem comp atom.model cartn y: 4.153
chem comp atom.model cartn y ideal: -0.005
chem comp atom.model cartn z: -2.156
chem comp atom.model cartn z ideal: -0.006
chem comp atom.pdb atom id: H22
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H3
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.131
chem comp atom.model cartn x ideal: 2.007
chem comp atom.model cartn y: 6.060
chem comp atom.model cartn y ideal: 0.329
chem comp atom.model cartn z: -0.609
chem comp atom.model cartn z ideal: 1.355
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO3
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.682
chem comp atom.model cartn x ideal: 3.416
chem comp atom.model cartn y: 5.153
chem comp atom.model cartn y ideal: -0.570
chem comp atom.model cartn z: -0.448
chem comp atom.model cartn z ideal: -0.184
chem comp atom.pdb atom id: HO3
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H4
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.161
chem comp atom.model cartn x ideal: 0.803
chem comp atom.model cartn y: 5.863
chem comp atom.model cartn y ideal: 2.357
chem comp atom.model cartn z: 1.523
chem comp atom.model cartn z ideal: 0.807
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM41,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM41
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -13.126
chem comp atom.model cartn x ideal: 4.664
chem comp atom.model cartn y: 2.642
chem comp atom.model cartn y ideal: 4.665
chem comp atom.model cartn z: 3.220
chem comp atom.model cartn z ideal: 1.222
chem comp atom.pdb atom id: HM41
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM42,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM42
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.753
chem comp atom.model cartn x ideal: 3.790
chem comp atom.model cartn y: 2.244
chem comp atom.model cartn y ideal: 4.435
chem comp atom.model cartn z: 1.486
chem comp atom.model cartn z ideal: 2.776
chem comp atom.pdb atom id: HM42
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM43,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM43
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.554
chem comp atom.model cartn x ideal: 3.583
chem comp atom.model cartn y: 1.854
chem comp atom.model cartn y ideal: 5.930
chem comp atom.model cartn z: 2.778
chem comp atom.model cartn z ideal: 1.842
chem comp atom.pdb atom id: HM43
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H5
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.720
chem comp atom.model cartn x ideal: 1.107
chem comp atom.model cartn y: 5.433
chem comp atom.model cartn y ideal: 3.710
chem comp atom.model cartn z: 1.207
chem comp atom.model cartn z ideal: -1.092
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H61
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.082
chem comp atom.model cartn x ideal: 3.123
chem comp atom.model cartn y: 3.803
chem comp atom.model cartn y ideal: 1.927
chem comp atom.model cartn z: 3.458
chem comp atom.model cartn z ideal: -2.433
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H62
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.313
chem comp atom.model cartn x ideal: 2.645
chem comp atom.model cartn y: 4.163
chem comp atom.model cartn y ideal: 3.592
chem comp atom.model cartn z: 3.364
chem comp atom.model cartn z ideal: -2.814
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H63,2GL,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H63
chem comp atom.comp id: 2GL
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.510
chem comp atom.model cartn x ideal: 3.625
chem comp atom.model cartn y: 5.499
chem comp atom.model cartn y ideal: 3.258
chem comp atom.model cartn z: 3.503
chem comp atom.model cartn z ideal: -1.374
chem comp atom.pdb atom id: H63
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C1,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C1
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -6.293
chem comp atom.model cartn x ideal: 1.631
chem comp atom.model cartn y: -1.061
chem comp atom.model cartn y ideal: -0.142
chem comp atom.model cartn z: 1.339
chem comp atom.model cartn z ideal: -0.336
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C2,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C2
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.109
chem comp atom.model cartn x ideal: 0.838
chem comp atom.model cartn y: -1.494
chem comp atom.model cartn y ideal: -1.361
chem comp atom.model cartn z: 0.141
chem comp atom.model cartn z ideal: 0.140
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C3
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.191
chem comp atom.model cartn x ideal: -0.627
chem comp atom.model cartn y: -0.491
chem comp atom.model cartn y ideal: -1.201
chem comp atom.model cartn z: -0.234
chem comp atom.model cartn z ideal: -0.284
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C4,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C4
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.933
chem comp atom.model cartn x ideal: -1.139
chem comp atom.model cartn y: 0.021
chem comp atom.model cartn y ideal: 0.150
chem comp atom.model cartn z: 0.999
chem comp atom.model cartn z ideal: 0.226
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C5,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C5
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.921
chem comp atom.model cartn x ideal: -0.197
chem comp atom.model cartn y: 0.441
chem comp atom.model cartn y ideal: 1.255
chem comp atom.model cartn z: 2.035
chem comp atom.model cartn z ideal: -0.257
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C6,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C6
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.521
chem comp atom.model cartn x ideal: -0.720
chem comp atom.model cartn y: 0.972
chem comp atom.model cartn y ideal: 2.613
chem comp atom.model cartn z: 3.289
chem comp atom.model cartn z ideal: 0.218
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O5,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O5
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: -7.219
chem comp atom.model cartn x ideal: 1.110
chem comp atom.model cartn y: -0.743
chem comp atom.model cartn y ideal: 1.040
chem comp atom.model cartn z: 2.382
chem comp atom.model cartn z ideal: 0.271
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O1,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O1
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -5.597
chem comp atom.model cartn x ideal: 3.003
chem comp atom.model cartn y: -2.222
chem comp atom.model cartn y ideal: -0.298
chem comp atom.model cartn z: 1.779
chem comp atom.model cartn z ideal: 0.029
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O3
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.204
chem comp atom.model cartn x ideal: -1.407
chem comp atom.model cartn y: -1.207
chem comp atom.model cartn y ideal: -2.257
chem comp atom.model cartn z: -0.985
chem comp atom.model cartn z ideal: 0.279
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O4,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O4
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.828
chem comp atom.model cartn x ideal: -2.454
chem comp atom.model cartn y: 1.095
chem comp atom.model cartn y ideal: 0.386
chem comp atom.model cartn z: 0.699
chem comp atom.model cartn z ideal: -0.282
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H1,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H1
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -5.625
chem comp atom.model cartn x ideal: 1.551
chem comp atom.model cartn y: -0.219
chem comp atom.model cartn y ideal: -0.058
chem comp atom.model cartn z: 1.103
chem comp atom.model cartn z ideal: -1.419
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H21,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H21
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.609
chem comp atom.model cartn x ideal: 1.251
chem comp atom.model cartn y: -2.438
chem comp atom.model cartn y ideal: -2.264
chem comp atom.model cartn z: 0.404
chem comp atom.model cartn z ideal: -0.310
chem comp atom.pdb atom id: H21
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H22,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H22
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -6.430
chem comp atom.model cartn x ideal: 0.897
chem comp atom.model cartn y: -1.608
chem comp atom.model cartn y ideal: -1.434
chem comp atom.model cartn z: -0.717
chem comp atom.model cartn z ideal: 1.226
chem comp atom.pdb atom id: H22
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H3
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.711
chem comp atom.model cartn x ideal: -0.698
chem comp atom.model cartn y: 0.337
chem comp atom.model cartn y ideal: -1.234
chem comp atom.model cartn z: -0.777
chem comp atom.model cartn z ideal: -1.371
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H4
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.558
chem comp atom.model cartn x ideal: -1.166
chem comp atom.model cartn y: -0.797
chem comp atom.model cartn y ideal: 0.142
chem comp atom.model cartn z: 1.388
chem comp atom.model cartn z ideal: 1.316
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H5
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.304
chem comp atom.model cartn x ideal: -0.155
chem comp atom.model cartn y: 1.246
chem comp atom.model cartn y ideal: 1.244
chem comp atom.model cartn z: 1.609
chem comp atom.model cartn z ideal: -1.346
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H61
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.275
chem comp atom.model cartn x ideal: -0.051
chem comp atom.model cartn y: 0.264
chem comp atom.model cartn y ideal: 3.401
chem comp atom.model cartn z: 3.663
chem comp atom.model cartn z ideal: -0.128
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H62
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.998
chem comp atom.model cartn x ideal: -1.718
chem comp atom.model cartn y: 1.942
chem comp atom.model cartn y ideal: 2.780
chem comp atom.model cartn z: 3.085
chem comp atom.model cartn z ideal: -0.187
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H63,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H63
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.734
chem comp atom.model cartn x ideal: -0.763
chem comp atom.model cartn y: 1.103
chem comp atom.model cartn y ideal: 2.625
chem comp atom.model cartn z: 4.046
chem comp atom.model cartn z ideal: 1.307
chem comp atom.pdb atom id: H63
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO1,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO1
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.674
chem comp atom.model cartn x ideal: 3.469
chem comp atom.model cartn y: -2.020
chem comp atom.model cartn y ideal: 0.487
chem comp atom.model cartn z: 1.877
chem comp atom.model cartn z ideal: -0.291
chem comp atom.pdb atom id: HO1
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO3
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.959
chem comp atom.model cartn x ideal: -1.041
chem comp atom.model cartn y: -1.364
chem comp atom.model cartn y ideal: -3.086
chem comp atom.model cartn z: -0.430
chem comp atom.model cartn z ideal: -0.059
chem comp atom.pdb atom id: HO3
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO4,DDA,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO4
chem comp atom.comp id: DDA
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.714
chem comp atom.model cartn x ideal: -3.011
chem comp atom.model cartn y: 0.760
chem comp atom.model cartn y ideal: -0.336
chem comp atom.model cartn z: 0.632
chem comp atom.model cartn z ideal: 0.040
chem comp atom.pdb atom id: HO4
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C1,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C1
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.336
chem comp atom.model cartn x ideal: -1.404
chem comp atom.model cartn y: -3.011
chem comp atom.model cartn y ideal: 0.043
chem comp atom.model cartn z: 14.740
chem comp atom.model cartn z ideal: -0.089
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O1
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -6.239
chem comp atom.model cartn x ideal: -2.578
chem comp atom.model cartn y: -2.538
chem comp atom.model cartn y ideal: -0.225
chem comp atom.model cartn z: 14.856
chem comp atom.model cartn z ideal: -0.234
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C9A,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C9A
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.705
chem comp atom.model cartn x ideal: -0.485
chem comp atom.model cartn y: -3.669
chem comp atom.model cartn y ideal: 0.074
chem comp atom.model cartn z: 13.493
chem comp atom.model cartn z ideal: -1.235
chem comp atom.pdb atom id: C9A
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C2
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.421
chem comp atom.model cartn x ideal: -0.836
chem comp atom.model cartn y: -2.880
chem comp atom.model cartn y ideal: 0.358
chem comp atom.model cartn z: 15.841
chem comp atom.model cartn z ideal: 1.277
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C3
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.761
chem comp atom.model cartn x ideal: 0.510
chem comp atom.model cartn y: -2.714
chem comp atom.model cartn y ideal: -0.367
chem comp atom.model cartn z: 15.098
chem comp atom.model cartn z ideal: 1.394
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C4,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C4
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.099
chem comp atom.model cartn x ideal: 1.483
chem comp atom.model cartn y: -3.995
chem comp atom.model cartn y ideal: 0.200
chem comp atom.model cartn z: 14.309
chem comp atom.model cartn z ideal: 0.366
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4A,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C4A
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.031
chem comp atom.model cartn x ideal: 0.906
chem comp atom.model cartn y: -4.135
chem comp atom.model cartn y ideal: 0.140
chem comp atom.model cartn z: 13.260
chem comp atom.model cartn z ideal: -1.023
chem comp atom.pdb atom id: C4A
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C10,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C10
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.374
chem comp atom.model cartn x ideal: 1.758
chem comp atom.model cartn y: -4.713
chem comp atom.model cartn y ideal: 0.157
chem comp atom.model cartn z: 12.023
chem comp atom.model cartn z ideal: -2.082
chem comp atom.pdb atom id: C10
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5A,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C5A
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.374
chem comp atom.model cartn x ideal: 1.267
chem comp atom.model cartn y: -4.837
chem comp atom.model cartn y ideal: 0.118
chem comp atom.model cartn z: 11.060
chem comp atom.model cartn z ideal: -3.401
chem comp atom.pdb atom id: C5A
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C5
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.716
chem comp atom.model cartn x ideal: 2.143
chem comp atom.model cartn y: -5.290
chem comp atom.model cartn y ideal: 0.136
chem comp atom.model cartn z: 9.805
chem comp atom.model cartn z ideal: -4.497
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C6
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.787
chem comp atom.model cartn x ideal: 1.647
chem comp atom.model cartn y: -5.319
chem comp atom.model cartn y ideal: 0.103
chem comp atom.model cartn z: 8.789
chem comp atom.model cartn z ideal: -5.767
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C7,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C7
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -6.483
chem comp atom.model cartn x ideal: 0.278
chem comp atom.model cartn y: -4.977
chem comp atom.model cartn y ideal: 0.050
chem comp atom.model cartn z: 9.027
chem comp atom.model cartn z ideal: -6.002
chem comp atom.pdb atom id: C7
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CC7,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CC7
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -5.454
chem comp atom.model cartn x ideal: -0.234
chem comp atom.model cartn y: -5.084
chem comp atom.model cartn y ideal: 0.017
chem comp atom.model cartn z: 7.980
chem comp atom.model cartn z ideal: -7.419
chem comp atom.pdb atom id: CC7
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C8
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -6.115
chem comp atom.model cartn x ideal: -0.614
chem comp atom.model cartn y: -4.526
chem comp atom.model cartn y ideal: 0.028
chem comp atom.model cartn z: 10.256
chem comp atom.model cartn z ideal: -4.952
chem comp atom.pdb atom id: C8
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O8,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O8
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.791
chem comp atom.model cartn x ideal: -1.950
chem comp atom.model cartn y: -4.253
chem comp atom.model cartn y ideal: -0.023
chem comp atom.model cartn z: 10.447
chem comp atom.model cartn z ideal: -5.191
chem comp atom.pdb atom id: O8
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C8A,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C8A
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -7.066
chem comp atom.model cartn x ideal: -0.129
chem comp atom.model cartn y: -4.413
chem comp atom.model cartn y ideal: 0.060
chem comp atom.model cartn z: 11.291
chem comp atom.model cartn z ideal: -3.630
chem comp atom.pdb atom id: C8A
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C9,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C9
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -6.748
chem comp atom.model cartn x ideal: -1.007
chem comp atom.model cartn y: -3.809
chem comp atom.model cartn y ideal: 0.036
chem comp atom.model cartn z: 12.488
chem comp atom.model cartn z ideal: -2.531
chem comp atom.pdb atom id: C9
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O9,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O9
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -5.529
chem comp atom.model cartn x ideal: -2.345
chem comp atom.model cartn y: -3.196
chem comp atom.model cartn y ideal: -0.023
chem comp atom.model cartn z: 12.504
chem comp atom.model cartn z ideal: -2.727
chem comp atom.pdb atom id: O9
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CME,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: CME
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.593
chem comp atom.model cartn x ideal: 3.261
chem comp atom.model cartn y: -3.056
chem comp atom.model cartn y ideal: 0.298
chem comp atom.model cartn z: 18.169
chem comp atom.model cartn z ideal: 3.329
chem comp atom.pdb atom id: CME
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C1S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.916
chem comp atom.model cartn x ideal: 1.078
chem comp atom.model cartn y: -2.210
chem comp atom.model cartn y ideal: -0.167
chem comp atom.model cartn z: 15.959
chem comp atom.model cartn z ideal: 2.801
chem comp atom.pdb atom id: C1S
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O1S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O1S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.309
chem comp atom.model cartn x ideal: 2.387
chem comp atom.model cartn y: -3.136
chem comp atom.model cartn y ideal: -0.735
chem comp atom.model cartn z: 16.958
chem comp atom.model cartn z ideal: 2.871
chem comp atom.pdb atom id: O1S
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C2S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C2S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.126
chem comp atom.model cartn x ideal: 0.182
chem comp atom.model cartn y: -1.870
chem comp atom.model cartn y ideal: -0.843
chem comp atom.model cartn z: 15.067
chem comp atom.model cartn z ideal: 3.806
chem comp atom.pdb atom id: C2S
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O2S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O2S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.995
chem comp atom.model cartn x ideal: 0.378
chem comp atom.model cartn y: -1.692
chem comp atom.model cartn y ideal: -1.995
chem comp atom.model cartn z: 13.888
chem comp atom.model cartn z ideal: 4.110
chem comp atom.pdb atom id: O2S
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C3S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C3S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -13.467
chem comp atom.model cartn x ideal: -0.958
chem comp atom.model cartn y: -1.809
chem comp atom.model cartn y ideal: -0.083
chem comp atom.model cartn z: 15.722
chem comp atom.model cartn z ideal: 4.431
chem comp atom.pdb atom id: C3S
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O3S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O3S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -14.187
chem comp atom.model cartn x ideal: -2.017
chem comp atom.model cartn y: -0.610
chem comp atom.model cartn y ideal: -0.988
chem comp atom.model cartn z: 15.454
chem comp atom.model cartn z ideal: 4.749
chem comp atom.pdb atom id: O3S
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C4S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C4S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -14.277
chem comp atom.model cartn x ideal: -0.473
chem comp atom.model cartn y: -3.053
chem comp atom.model cartn y ideal: 0.604
chem comp atom.model cartn z: 15.304
chem comp atom.model cartn z ideal: 5.709
chem comp atom.pdb atom id: C4S
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O4S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: O4S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -14.346
chem comp atom.model cartn x ideal: 0.584
chem comp atom.model cartn y: -3.158
chem comp atom.model cartn y ideal: 1.509
chem comp atom.model cartn z: 13.895
chem comp atom.model cartn z ideal: 5.390
chem comp atom.pdb atom id: O4S
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C5S,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: C5S
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -13.646
chem comp atom.model cartn x ideal: -1.632
chem comp atom.model cartn y: -4.360
chem comp atom.model cartn y ideal: 1.376
chem comp atom.model cartn z: 15.811
chem comp atom.model cartn z ideal: 6.343
chem comp atom.pdb atom id: C5S
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

H21,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H21
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.418
chem comp atom.model cartn x ideal: -1.516
chem comp atom.model cartn y: -3.722
chem comp atom.model cartn y ideal: 0.004
chem comp atom.model cartn z: 16.571
chem comp atom.model cartn z ideal: 2.052
chem comp atom.pdb atom id: H21
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H22,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H22
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.214
chem comp atom.model cartn x ideal: -0.687
chem comp atom.model cartn y: -2.065
chem comp atom.model cartn y ideal: 1.433
chem comp atom.model cartn z: 16.574
chem comp atom.model cartn z ideal: 1.378
chem comp atom.pdb atom id: H22
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H3
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.615
chem comp atom.model cartn x ideal: 0.366
chem comp atom.model cartn y: -1.883
chem comp atom.model cartn y ideal: -1.432
chem comp atom.model cartn z: 14.368
chem comp atom.model cartn z ideal: 1.209
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4A,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H4A
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.208
chem comp atom.model cartn x ideal: 1.702
chem comp atom.model cartn y: -4.897
chem comp atom.model cartn y ideal: 1.238
chem comp atom.model cartn z: 14.954
chem comp atom.model cartn z ideal: 0.617
chem comp atom.pdb atom id: H4A
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4E,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H4E
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -11.133
chem comp atom.model cartn x ideal: 2.409
chem comp atom.model cartn y: -3.999
chem comp atom.model cartn y ideal: -0.374
chem comp atom.model cartn z: 13.892
chem comp atom.model cartn z ideal: 0.394
chem comp atom.pdb atom id: H4E
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H10,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H10
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.399
chem comp atom.model cartn x ideal: 2.824
chem comp atom.model cartn y: -5.059
chem comp atom.model cartn y ideal: 0.201
chem comp atom.model cartn z: 11.813
chem comp atom.model cartn z ideal: -1.910
chem comp atom.pdb atom id: H10
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H5
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.746
chem comp atom.model cartn x ideal: 3.210
chem comp atom.model cartn y: -5.633
chem comp atom.model cartn y ideal: 0.175
chem comp atom.model cartn z: 9.611
chem comp atom.model cartn z ideal: -4.335
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H6,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: H6
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -8.091
chem comp atom.model cartn x ideal: 2.330
chem comp atom.model cartn y: -5.619
chem comp atom.model cartn y ideal: 0.119
chem comp atom.model cartn z: 7.772
chem comp atom.model cartn z ideal: -6.604
chem comp atom.pdb atom id: H6
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM71,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM71
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.391
chem comp atom.model cartn x ideal: -0.395
chem comp atom.model cartn y: -4.805
chem comp atom.model cartn y ideal: 1.036
chem comp atom.model cartn z: 8.173
chem comp atom.model cartn z ideal: -7.771
chem comp atom.pdb atom id: HM71
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM72,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM72
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -5.468
chem comp atom.model cartn x ideal: 0.497
chem comp atom.model cartn y: -6.129
chem comp atom.model cartn y ideal: -0.476
chem comp atom.model cartn z: 7.591
chem comp atom.model cartn z ideal: -8.059
chem comp atom.pdb atom id: HM72
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM73,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM73
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -5.804
chem comp atom.model cartn x ideal: -1.175
chem comp atom.model cartn y: -4.503
chem comp atom.model cartn y ideal: -0.531
chem comp atom.model cartn z: 7.095
chem comp atom.model cartn z ideal: -7.452
chem comp atom.pdb atom id: HM73
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO8,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO8
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.533
chem comp atom.model cartn x ideal: -2.259
chem comp atom.model cartn y: -3.937
chem comp atom.model cartn y ideal: 0.891
chem comp atom.model cartn z: 11.305
chem comp atom.model cartn z ideal: -5.250
chem comp atom.pdb atom id: HO8
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO9,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO9
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.877
chem comp atom.model cartn x ideal: -2.661
chem comp atom.model cartn y: -3.291
chem comp atom.model cartn y ideal: 0.889
chem comp atom.model cartn z: 11.819
chem comp atom.model cartn z ideal: -2.779
chem comp atom.pdb atom id: HO9
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM11,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM11
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.902
chem comp atom.model cartn x ideal: 4.260
chem comp atom.model cartn y: -3.784
chem comp atom.model cartn y ideal: -0.111
chem comp atom.model cartn z: 18.954
chem comp atom.model cartn z ideal: 3.482
chem comp atom.pdb atom id: HM11
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM12,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM12
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -9.498
chem comp atom.model cartn x ideal: 3.305
chem comp atom.model cartn y: -3.145
chem comp atom.model cartn y ideal: 1.093
chem comp atom.model cartn z: 17.973
chem comp atom.model cartn z ideal: 2.584
chem comp atom.pdb atom id: HM12
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM13,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM13
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.636
chem comp atom.model cartn x ideal: 2.886
chem comp atom.model cartn y: -2.017
chem comp atom.model cartn y ideal: 0.702
chem comp atom.model cartn z: 18.571
chem comp atom.model cartn z ideal: 4.269
chem comp atom.pdb atom id: HM13
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HS1,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HS1
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -10.550
chem comp atom.model cartn x ideal: 1.132
chem comp atom.model cartn y: -1.296
chem comp atom.model cartn y ideal: 0.899
chem comp atom.model cartn z: 16.483
chem comp atom.model cartn z ideal: 3.022
chem comp atom.pdb atom id: HS1
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HS3,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HS3
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -13.303
chem comp atom.model cartn x ideal: -1.322
chem comp atom.model cartn y: -1.802
chem comp atom.model cartn y ideal: 0.668
chem comp atom.model cartn z: 16.824
chem comp atom.model cartn z ideal: 3.729
chem comp atom.pdb atom id: HS3
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO3
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -15.039
chem comp atom.model cartn x ideal: -1.654
chem comp atom.model cartn y: -0.571
chem comp atom.model cartn y ideal: -1.635
chem comp atom.model cartn z: 15.870
chem comp atom.model cartn z ideal: 5.370
chem comp atom.pdb atom id: HO3
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HS4,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HS4
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -15.288
chem comp atom.model cartn x ideal: -0.110
chem comp atom.model cartn y: -2.918
chem comp atom.model cartn y ideal: -0.146
chem comp atom.model cartn z: 15.754
chem comp atom.model cartn z ideal: 6.410
chem comp atom.pdb atom id: HS4
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO4,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HO4
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -14.845
chem comp atom.model cartn x ideal: 0.222
chem comp atom.model cartn y: -3.924
chem comp atom.model cartn y ideal: 2.156
chem comp atom.model cartn z: 13.637
chem comp atom.model cartn z ideal: 4.769
chem comp atom.pdb atom id: HO4
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM51,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM51
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -14.231
chem comp atom.model cartn x ideal: -1.286
chem comp atom.model cartn y: -5.259
chem comp atom.model cartn y ideal: 1.866
chem comp atom.model cartn z: 15.508
chem comp atom.model cartn z ideal: 7.254
chem comp atom.pdb atom id: HM51
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM52,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM52
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -12.582
chem comp atom.model cartn x ideal: -1.995
chem comp atom.model cartn y: -4.445
chem comp atom.model cartn y ideal: 2.128
chem comp atom.model cartn z: 15.487
chem comp atom.model cartn z ideal: 5.642
chem comp atom.pdb atom id: HM52
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HM53,DXB,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: HM53
chem comp atom.comp id: DXB
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -13.494
chem comp atom.model cartn x ideal: -2.439
chem comp atom.model cartn y: -4.331
chem comp atom.model cartn y ideal: 0.686
chem comp atom.model cartn z: 16.915
chem comp atom.model cartn z ideal: 6.586
chem comp atom.pdb atom id: HM53
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: H

ZN,ZN,4753
type: chem comp atom
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem comp atom.atom id: ZN
chem comp atom.comp id: ZN
chem comp atom.entry id: 4753
chem comp atom.aromatic flag: no
chem comp atom.charge: 2
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.000
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 0.000
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: 0.000
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: ZN
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: ZN

1GL,4753,1
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,2
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,3
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,4
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: C1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,5
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DXB,4753,6
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C9A
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,7
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: HO1
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,8
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: HO1
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,9
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,10
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: HO1
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,11
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,12
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,13
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,14
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,15
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,16
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,17
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 17
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C9A
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

2GL,4753,18
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,19
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,20
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,21
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,22
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,23
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 23
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C9A
chem comp bond.atom id 2: C9
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,24
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,25
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,26
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,27
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,28
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,29
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,30
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H21
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,31
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H21
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,32
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H21
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,33
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H21
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,34
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H22
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,35
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H21
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,36
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 36
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H22
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,37
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,38
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 38
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H22
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,39
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H22
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,40
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H22
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,41
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,42
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,43
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,44
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,45
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,46
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,47
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: CC3
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,48
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 48
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,49
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C1S
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,50
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 50
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,51
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,52
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 52
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,53
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,54
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,55
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,56
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,57
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: HO3
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,58
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: HO3
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,59
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,60
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 60
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: HO3
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,61
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,62
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 62
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CC3
chem comp bond.atom id 2: HM31
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,63
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4A
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,64
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 64
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,65
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,66
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 66
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4E
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,67
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CC3
chem comp bond.atom id 2: HM32
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,68
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,69
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 69
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,70
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,71
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 71
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CC3
chem comp bond.atom id 2: HM33
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,72
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,73
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,74
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 74
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4A
chem comp bond.atom id 2: C10
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,75
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,76
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,77
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: CO4
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,78
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: CME
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,79
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 79
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,80
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 80
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C5A
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DDA,4753,81
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,82
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 82
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,83
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 83
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM41
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,84
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 84
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: CO4
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,85
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 85
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H10
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,86
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 86
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM42
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,87
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 87
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,88
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 88
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,89
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 89
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM41
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,90
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 90
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C5A
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,91
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 91
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM43
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,92
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 92
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: CO4
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,93
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 93
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C5A
chem comp bond.atom id 2: C8A
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,94
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 94
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM42
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,95
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 95
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H63
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,96
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 96
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: CO4
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,97
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 97
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM43
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,98
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 98
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: HO1
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,99
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 99
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,100
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 100
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DXB,4753,101
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 101
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,102
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 102
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM41
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,103
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 103
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,104
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 104
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CO4
chem comp bond.atom id 2: OC4
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DDA,4753,105
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 105
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: HO3
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,106
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 106
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM42
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,107
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 107
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,108
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 108
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

DDA,4753,109
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DDA
chem comp bond.entry id: 4753
chem comp bond.id: 109
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: HO4
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,110
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 110
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,111
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 111
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,112
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 112
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H6
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,113
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 113
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,114
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 114
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM43
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

1GL,4753,115
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 115
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,116
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 116
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,117
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 117
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: CC7
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,118
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 118
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CO4
chem comp bond.atom id 2: OC4
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

1GL,4753,119
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1GL
chem comp bond.entry id: 4753
chem comp bond.id: 119
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H63
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,120
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 120
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,121
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 121
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,122
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 122
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DXB,4753,123
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 123
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CC7
chem comp bond.atom id 2: HM71
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,124
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 124
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,125
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 125
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

2GL,4753,126
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 2GL
chem comp bond.entry id: 4753
chem comp bond.id: 126
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H63
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,127
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 127
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,128
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 128
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CC7
chem comp bond.atom id 2: HM72
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,129
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 129
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CC7
chem comp bond.atom id 2: HM73
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,130
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 130
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,131
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 131
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,132
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 132
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: O8
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

1AR,4753,133
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: 1AR
chem comp bond.entry id: 4753
chem comp bond.id: 133
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H63
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,134
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 134
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C8A
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,135
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 135
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O8
chem comp bond.atom id 2: HO8
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,136
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 136
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C8A
chem comp bond.atom id 2: C9
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DXB,4753,137
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 137
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: O9
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,138
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 138
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O9
chem comp bond.atom id 2: HO9
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,139
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 139
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: O1S
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,140
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 140
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM11
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,141
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 141
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM12
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,142
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 142
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CME
chem comp bond.atom id 2: HM13
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,143
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 143
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1S
chem comp bond.atom id 2: O1S
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,144
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 144
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1S
chem comp bond.atom id 2: C2S
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,145
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 145
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1S
chem comp bond.atom id 2: HS1
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,146
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 146
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2S
chem comp bond.atom id 2: O2S
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DXB,4753,147
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 147
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2S
chem comp bond.atom id 2: C3S
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,148
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 148
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3S
chem comp bond.atom id 2: O3S
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,149
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 149
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3S
chem comp bond.atom id 2: C4S
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,150
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 150
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3S
chem comp bond.atom id 2: HS3
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,151
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 151
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3S
chem comp bond.atom id 2: HO3
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,152
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 152
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4S
chem comp bond.atom id 2: O4S
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,153
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 153
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4S
chem comp bond.atom id 2: C5S
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,154
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 154
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4S
chem comp bond.atom id 2: HS4
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,155
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 155
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4S
chem comp bond.atom id 2: HO4
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,156
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 156
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5S
chem comp bond.atom id 2: HM51
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,157
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 157
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5S
chem comp bond.atom id 2: HM52
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.value order: SING

DXB,4753,158
type: chem comp bond
of datablock: info:bmrb/4753
chem comp bond.comp id: DXB
chem comp bond.entry id: 4753
chem comp bond.id: 158
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5S
chem comp bond.atom id 2: HM53
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.value order: SING

https://bmrbpub.pdbj.org/rdf/bmr4753/chem_comp_descriptor/1AR,O=C(OC1C(OC(O)CC1(O)C)C)C,4753,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: 1AR
chem comp descriptor.descriptor: O=C(OC1C(OC(O)CC1(O)C)C)C
chem comp descriptor.entry id: 4753
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr4753/chem_comp_descriptor/1AR,C(CaaH)1O(CaH)(O)C(Ca)(C)(O)(CaH)1OC(C)=O,4753,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: 1AR
chem comp descriptor.descriptor: C[C@@H]1O[C@H](O)C[C@](C)(O)[C@H]1OC(C)=O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr4753/chem_comp_descriptor/1AR,C(CH)1O(CH)(O)C(C)(C)(O)(CH)1OC(C)=O,4753,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: 1AR
chem comp descriptor.descriptor: C[CH]1O[CH](O)C[C](C)(O)[CH]1OC(C)=O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr4753/chem_comp_descriptor/1AR,C(CaH)1(CaaH)((Caa)(C(CaH)(O1)O)(C)O)OC(=O)C,4753,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: 1AR
chem comp descriptor.descriptor: C[C@H]1[C@@H]([C@@](C[C@H](O1)O)(C)O)OC(=O)C
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr4753/chem_comp_descriptor/1AR,CC1C(C(CC(O1)O)(C)O)OC(=O)C,4753,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: 1AR
chem comp descriptor.descriptor: CC1C(C(CC(O1)O)(C)O)OC(=O)C
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

s1,4753,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: 1AR
chem comp descriptor.descriptor: InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

1AR,YJOQPCPEUGDGFS-ZITKLIBNSA-N,4753,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: 1AR
chem comp descriptor.descriptor: YJOQPCPEUGDGFS-ZITKLIBNSA-N
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1GL,O(C1C(OC(O)CC1O)C)C,4753,ACD,10.04,SMILES
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chem comp descriptor.type: SMILES

1GL,CO(CaH)1(CaaH)(C)O(CaH)(O)C(CaH)1O,4753,CACTVS,3.341,SMILES CANONICAL
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chem comp descriptor.type: SMILES_CANONICAL

1GL,CO(CH)1(CH)(C)O(CH)(O)C(CH)1O,4753,CACTVS,3.341,SMILES
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chem comp descriptor.descriptor: CO[CH]1[CH](C)O[CH](O)C[CH]1O
chem comp descriptor.entry id: 4753
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1GL,C(CaaH)1(CaaH)((CaaH)(C(CaH)(O1)O)O)OC,4753,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
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chem comp descriptor.comp id: 1GL
chem comp descriptor.descriptor: C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC
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chem comp descriptor.program: OECHEM
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chem comp descriptor.type: SMILES_CANONICAL

1GL,CC1C(C(CC(O1)O)O)OC,4753,OECHEM,1.5.0,SMILES
type: chem comp descriptor
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chem comp descriptor.comp id: 1GL
chem comp descriptor.descriptor: CC1C(C(CC(O1)O)O)OC
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

s1,4753,na,1.03,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: 1GL
chem comp descriptor.descriptor: InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

1GL,CDRBUGSWTNDUSM-JWXFUTCRSA-N,4753,na,1.03,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: 1GL
chem comp descriptor.descriptor: CDRBUGSWTNDUSM-JWXFUTCRSA-N
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

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type: chem comp descriptor
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chem comp descriptor.comp id: 2GL
chem comp descriptor.descriptor: O=C(OC1C(OC(O)CC1O)C)C
chem comp descriptor.entry id: 4753
chem comp descriptor.program: ACD
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chem comp descriptor.type: SMILES

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type: chem comp descriptor
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chem comp descriptor.comp id: 2GL
chem comp descriptor.descriptor: C[C@H]1O[C@H](O)C[C@@H](O)[C@H]1OC(C)=O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
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chem comp descriptor.comp id: 2GL
chem comp descriptor.descriptor: C[CH]1O[CH](O)C[CH](O)[CH]1OC(C)=O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
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type: chem comp descriptor
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chem comp descriptor.comp id: 2GL
chem comp descriptor.descriptor: C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC(=O)C
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
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chem comp descriptor.comp id: 2GL
chem comp descriptor.descriptor: CC1C(C(CC(O1)O)O)OC(=O)C
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

s1,4753,na,1.03,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: 2GL
chem comp descriptor.descriptor: InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7+,8+/m1/s1
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

2GL,VJCDYXNEQSTOMG-GVYWOMJSSA-N,4753,na,1.03,INCHI
type: chem comp descriptor
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chem comp descriptor.descriptor: VJCDYXNEQSTOMG-GVYWOMJSSA-N
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

DDA,OC1C(OC(O)CC1O)C,4753,ACD,10.04,SMILES
type: chem comp descriptor
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chem comp descriptor.comp id: DDA
chem comp descriptor.descriptor: OC1C(OC(O)CC1O)C
chem comp descriptor.entry id: 4753
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

DDA,C(CaH)1O(CaaH)(O)C(CaaH)(O)(CaaH)1O,4753,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
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chem comp descriptor.comp id: DDA
chem comp descriptor.descriptor: C[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

DDA,C(CH)1O(CH)(O)C(CH)(O)(CH)1O,4753,CACTVS,3.341,SMILES
type: chem comp descriptor
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chem comp descriptor.comp id: DDA
chem comp descriptor.descriptor: C[CH]1O[CH](O)C[CH](O)[CH]1O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

DDA,C(CaaH)1(CaH)((CaaH)(C(CaaH)(O1)O)O)O,4753,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
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chem comp descriptor.comp id: DDA
chem comp descriptor.descriptor: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

DDA,CC1C(C(CC(O1)O)O)O,4753,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DDA
chem comp descriptor.descriptor: CC1C(C(CC(O1)O)O)O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

s1,4753,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DDA
chem comp descriptor.descriptor: InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

DDA,FDWRIIDFYSUTDP-KVTDHHQDSA-N,4753,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DDA
chem comp descriptor.descriptor: FDWRIIDFYSUTDP-KVTDHHQDSA-N
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

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type: chem comp descriptor
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chem comp descriptor.comp id: DXB
chem comp descriptor.descriptor: O=C(C(O)C(O)C)C(OC)C3CC(=O)c2c(cc1ccc(c(O)c1c2O)C)C3
chem comp descriptor.entry id: 4753
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

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type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DXB
chem comp descriptor.descriptor: CO[C@@H]([C@H]1CC(=O)c2c(O)c3c(O)c(C)ccc3cc2C1)C(=O)[C@@H](O)[C@H](C)O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DXB
chem comp descriptor.descriptor: CO[CH]([CH]1CC(=O)c2c(O)c3c(O)c(C)ccc3cc2C1)C(=O)[CH](O)[CH](C)O
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

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type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DXB
chem comp descriptor.descriptor: Cc1ccc2cc3c(c(c2c1O)O)C(=O)C[C@@H](C3)[C@@H](C(=O)[C@H]([C@H](C)O)O)OC
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
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chem comp descriptor.comp id: DXB
chem comp descriptor.descriptor: Cc1ccc2cc3c(c(c2c1O)O)C(=O)CC(C3)C(C(=O)C(C(C)O)O)OC
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

s1,4753,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DXB
chem comp descriptor.descriptor: InChI=1S/C21H24O7/c1-9-4-5-11-6-12-7-13(21(28-3)20(27)18(25)10(2)22)8-14(23)15(12)19(26)16(11)17(9)24/h4-6,10,13,18,21-22,24-26H,7-8H2,1-3H3/t10-,13+,18-,21-/m0/s1
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

DXB,XBKVKSRQTHGEJA-LAHPPJGFSA-N,4753,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: DXB
chem comp descriptor.descriptor: XBKVKSRQTHGEJA-LAHPPJGFSA-N
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

ZN,(Zn.2),4753,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: ZN
chem comp descriptor.descriptor: [Zn+2]
chem comp descriptor.entry id: 4753
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

ZN,(Zn..),4753,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: ZN
chem comp descriptor.descriptor: [Zn++]
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

ZN,(Zn..),4753,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: ZN
chem comp descriptor.descriptor: [Zn++]
chem comp descriptor.entry id: 4753
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

ZN,(Zn.2),4753,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: ZN
chem comp descriptor.descriptor: [Zn+2]
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

ZN,(Zn.2),4753,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: ZN
chem comp descriptor.descriptor: [Zn+2]
chem comp descriptor.entry id: 4753
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

q.2,4753,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4753
chem comp descriptor.comp id: ZN
chem comp descriptor.descriptor: InChI=1S/Zn/q+2
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

ZN,PTFCDOFLOPIGGS-UHFFFAOYSA-N,4753,na,1.03,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: ZN
chem comp descriptor.descriptor: PTFCDOFLOPIGGS-UHFFFAOYSA-N
chem comp descriptor.entry id: 4753
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

1AR,4753,4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: 1AR
chem comp identifier.entry id: 4753
chem comp identifier.identifier: 4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

1AR,4753,((2S,3S,4S,6S)-4,6-dihydroxy-2,4-dimethyl-oxan-3-yl) ethanoate,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: 1AR
chem comp identifier.entry id: 4753
chem comp identifier.identifier: [(2S,3S,4S,6S)-4,6-dihydroxy-2,4-dimethyl-oxan-3-yl] ethanoate
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1GL,4753,2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: 1GL
chem comp identifier.entry id: 4753
chem comp identifier.identifier: 2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranose
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

1GL,4753,(2S,4R,5R,6R)-5-methoxy-6-methyl-oxane-2,4-diol,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: 1GL
chem comp identifier.entry id: 4753
chem comp identifier.identifier: (2S,4R,5R,6R)-5-methoxy-6-methyl-oxane-2,4-diol
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

2GL,4753,4-O-acetyl-2,6-dideoxy-alpha-D-lyxo-hexopyranose,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: 2GL
chem comp identifier.entry id: 4753
chem comp identifier.identifier: 4-O-acetyl-2,6-dideoxy-alpha-D-lyxo-hexopyranose
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

2GL,4753,((2R,3R,4R,6S)-4,6-dihydroxy-2-methyl-oxan-3-yl) ethanoate,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: 2GL
chem comp identifier.entry id: 4753
chem comp identifier.identifier: [(2R,3R,4R,6S)-4,6-dihydroxy-2-methyl-oxan-3-yl] ethanoate
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

DDA,4753,2,6-dideoxy-beta-D-arabino-hexopyranose,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: DDA
chem comp identifier.entry id: 4753
chem comp identifier.identifier: 2,6-dideoxy-beta-D-arabino-hexopyranose
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

DDA,4753,(2R,4R,5S,6R)-6-methyloxane-2,4,5-triol,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: DDA
chem comp identifier.entry id: 4753
chem comp identifier.identifier: (2R,4R,5S,6R)-6-methyloxane-2,4,5-triol
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

DXB,4753,(1S)-5-deoxy-1-C-((2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl)-1-O-methyl-L-ribulose,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: DXB
chem comp identifier.entry id: 4753
chem comp identifier.identifier: (1S)-5-deoxy-1-C-[(2R)-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-L-ribulose
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

DXB,4753,(3R)-3-((1S,3S,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl)-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: DXB
chem comp identifier.entry id: 4753
chem comp identifier.identifier: (3R)-3-[(1S,3S,4S)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

ZN,4753,zinc,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: ZN
chem comp identifier.entry id: 4753
chem comp identifier.identifier: zinc
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

ZN,4753,zinc(.2) cation,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4753
chem comp identifier.comp id: ZN
chem comp identifier.entry id: 4753
chem comp identifier.identifier: zinc(+2) cation
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,4753,1
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 1
chem shift completeness char.arom chem shift 1h coverage: 0.500
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.875
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: DT
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 47530301

1,4753,2
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 2
chem shift completeness char.arom chem shift 1h coverage: 0.500
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift 31p coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: DT
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 47530301

1,4753,3
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 3
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift 31p coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: DG
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 47530301

1,4753,4
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 4
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift 31p coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: DG
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 47530301

1,4753,5
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 5
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift 31p coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: DC
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 47530301

1,4753,6
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 6
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift 31p coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: DC
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 47530301

1,4753,7
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 7
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift 31p coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: DA
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 47530301

1,4753,8
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 8
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 31p coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift 31p coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: DA
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 47530301

2,4753,9
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 9
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DT
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

2,4753,10
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 10
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DT
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

2,4753,11
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 11
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DG
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

2,4753,12
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 12
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DG
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

2,4753,13
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 13
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DC
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

2,4753,14
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 14
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DC
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

2,4753,15
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 15
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DA
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

2,4753,16
type: chem shift completeness char
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4753
chem shift completeness char.id: 16
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift 31p coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift 31p coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: DA
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 47530302

1,4753
type: chem shift completeness list
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 4753
chem shift completeness list.arom chem shift 1h fraction: 14/16
chem shift completeness list.arom chem shift fraction: 14/16
chem shift completeness list.assigned residue coverage: 0.571
chem shift completeness list.bb chem shift 1h fraction: 56/56
chem shift completeness list.bb chem shift 31p fraction: 7/8
chem shift completeness list.bb chem shift fraction: 63/64
chem shift completeness list.chem shift 1h fraction: 76/78
chem shift completeness list.chem shift 31p fraction: 7/8
chem shift completeness list.chem shift fraction: 83/86
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr4753_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polydeoxyribonucleotide polysaccharide(D)
chem shift completeness list.methyl chem shift 1h fraction: 2/2
chem shift completeness list.methyl chem shift fraction: 2/2
chem shift completeness list.output file name: bmr4753_chem_shift_completeness.str
chem shift completeness list.queried date: 2016-07-27Z
chem shift completeness list.sc chem shift 1h fraction: 20/22
chem shift completeness list.sc chem shift fraction: 20/22
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_1
chem shift completeness list.sf id: 47530301

2,4753
type: chem shift completeness list
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift completeness list.assigned chem shift list id: 2
chem shift completeness list.entry id: 4753
chem shift completeness list.arom chem shift 1h fraction: 14/32
chem shift completeness list.arom chem shift fraction: 14/32
chem shift completeness list.assigned residue coverage: 0.000
chem shift completeness list.bb chem shift 1h fraction: 56/112
chem shift completeness list.bb chem shift 31p fraction: 7/16
chem shift completeness list.bb chem shift fraction: 63/128
chem shift completeness list.chem shift 1h fraction: 76/156
chem shift completeness list.chem shift 31p fraction: 7/16
chem shift completeness list.chem shift fraction: 83/172
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr4753_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polydeoxyribonucleotide polysaccharide(D)
chem shift completeness list.methyl chem shift 1h fraction: 2/4
chem shift completeness list.methyl chem shift fraction: 2/4
chem shift completeness list.output file name: bmr4753_chem_shift_completeness.str
chem shift completeness list.queried date: 2016-07-27Z
chem shift completeness list.sc chem shift 1h fraction: 20/44
chem shift completeness list.sc chem shift fraction: 20/44
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_2
chem shift completeness list.sf id: 47530302

1,4753,0
type: chem shift experiment
of datablock: info:bmrb/4753
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 4753
chem shift experiment.experiment id: 0
chem shift experiment.experiment name: na
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

2,4753,0
type: chem shift experiment
of datablock: info:bmrb/4753
chem shift experiment.assigned chem shift list id: 2
chem shift experiment.entry id: 4753
chem shift experiment.experiment id: 0
chem shift experiment.experiment name: na
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,H,1,4753,TSP
type: chem shift ref
of datablock: info:bmrb/4753
chem shift ref.atom isotope number: 1
chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 4753
chem shift ref.mol common name: TSP
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.external ref axis: parallel
chem shift ref.external ref loc: other
chem shift ref.external ref sample geometry: cylindrical
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

13,C,1,4753,TSP
type: chem shift ref
of datablock: info:bmrb/4753
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 4753
chem shift ref.mol common name: TSP
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.external ref axis: parallel
chem shift ref.external ref loc: other
chem shift ref.external ref sample geometry: cylindrical
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

31,P,1,4753,TMP
type: chem shift ref
of datablock: info:bmrb/4753
chem shift ref.atom isotope number: 31
chem shift ref.atom type: P
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 4753
chem shift ref.mol common name: TMP
chem shift ref.atom group: phosphorous
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.external ref axis: parallel
chem shift ref.external ref loc: other
chem shift ref.external ref sample geometry: cylindrical
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

4753,1
type: chem shift reference
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
chem shift reference.entry id: 4753
chem shift reference.id: 1
chem shift reference.details: Internal TSP referenced to external TSP (in a co-axial capillary) because of susceptibility effects in the sample. All reported chemical shifts are relative to external TSP.
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_ref_1

4753,1
type: citation
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
citation.entry id: 4753
citation.id: 1
citation.class: entry citation
citation.doi: 10.1016/s0969-2126(00)00124-6
citation.journal abbrev: Structure
citation.journal issn: 0969-2126
citation.journal issue: 4
citation.journal name full: Structure (London, England : 1993)
citation.journal volume: 8
citation.medline ui code: 20264310
citation.page first: 441
citation.page last: 452
citation.pubmed id: 10801486
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance.
citation.type: journal
citation.year: 2000

info:doi/10.1016/s0969-2126(00)00124-6

urn:miriam:doi:10.1016/s0969-2126(00)00124-6

urn:ISSN:0969-2126

urn:miriam:issn:0969-2126

info:pmid/10801486

urn:miriam:pubmed:10801486

4753,2
type: citation
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
citation.entry id: 4753
citation.id: 2
citation.class: reference citation
citation.details: The structure of a DNA octamer d(TTGGCCAA)(2) complexed to chromomycin-A(3) and a single divalent cobalt ion has been solved by using the pseudocontact shifts due to the unpaired electrons on the cobalt. A protocol was developed and critically evaluated for using the pseudocontact shifts in structure determination. The pseudocontact shifts were input as experimental restraints in molecular dynamics simulations with or without NOE constraints. Both the magnitude and orientation of the susceptibility anisotropy tensor required for the shift calculations were determined during the simulations by iterative refinement. The pseudocontact shifts could be used to define the structure to a very high precision and accuracy compared with a corresponding NOE-determined structure. Convergence was obtained from different starting structures and tensors. A structure determination using both NOE's and pseudocontact shifts revealed a general agreement between the two data sets. However, some evidence for a discrepancy between NOE's and pseudocontact shifts was observed in the backbone and terminal base pairs of the DNA. Violations in shift or NOE restraints remaining in the final structures were examined and may be a reflection of motional averaging of the constraints and evidence for flexibility. This work demonstrates that pseudocontact shifts are a powerful tool for NMR structure determination.
citation.doi: 10.1021/ja9904540
citation.full citation: Tu, K. and Gochin, M., J. AM. CHEM. SOC. 1999, v121, 9276-85
citation.journal abbrev: J. Am. Chem. Soc.
citation.journal issn: 0002-7863
citation.journal issue: 40
citation.journal name full: Journal of the American Chemical Society
citation.journal volume: 121
citation.page first: 9276
citation.page last: 9285
citation.pubmed id: 17917690
citation.sf category: citations
citation.sf framecode: ref_1
citation.status: published
citation.title: Structure determination by restrained molecular dynamics using NMR pseudocontact shifts as experimentally determined constraints.
citation.type: journal
citation.year: 1999

info:doi/10.1021/ja9904540

urn:miriam:doi:10.1021/ja9904540

urn:ISSN:0002-7863

urn:miriam:issn:0002-7863

info:pmid/17917690

urn:miriam:pubmed:17917690

1,4753,1
type: citation author
of datablock: info:bmrb/4753
citation author.citation id: 1
citation author.entry id: 4753
citation author.ordinal: 1
citation author.family name: Gochin
citation author.given name: M.
citation author.pdbx name: Gochin, M.

2,4753,1
type: citation author
of datablock: info:bmrb/4753
citation author.citation id: 2
citation author.entry id: 4753
citation author.ordinal: 1
citation author.family name: Tu
citation author.first initial: K.
citation author.given name: K.
citation author.pdbx name: Tu, K.

2,4753,2
type: citation author
of datablock: info:bmrb/4753
citation author.citation id: 2
citation author.entry id: 4753
citation author.ordinal: 2
citation author.family name: Gochin
citation author.first initial: M.
citation author.given name: M.
citation author.pdbx name: Gochin, M.

1,4753,drug bound in the minor groove of DNA
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 4753
citation keyword.keyword: drug bound in the minor groove of DNA

4753,assigned chemical shifts
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data set.entry id: 4753
data set.type: assigned_chemical_shifts
data set.count: 2

4753,1H chemical shifts
type: datum
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datum.entry id: 4753
datum.type: 1H chemical shifts
datum.count: 135

4753,13C chemical shifts
type: datum
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
datum.entry id: 4753
datum.type: 13C chemical shifts
datum.count: 96

4753,31P chemical shifts
type: datum
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
datum.entry id: 4753
datum.type: 31P chemical shifts
datum.count: 7

4753,1
type: entity
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity.entry id: 4753
entity.id: 1
entity.formula weight: 2489.589
entity.name: DNA octamer
entity.number of monomers: 8
entity.parent entity id: 1
entity.polymer seq one letter code: TTGGCCAA
entity.polymer seq one letter code can: TTGGCCAA
entity.polymer type: polydeoxyribonucleotide
entity.sf category: entity
entity.sf framecode: DNA_octamer
entity.thiol state: not present
entity.type: polymer

4753,2
type: entity
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity.entry id: 4753
entity.id: 2
entity.formula weight: 1151.247
entity.name: chromomycin
entity.parent entity id: 2
entity.polymer seq one letter code can: (1GL)(2GL)(DXB)(1AR)(DDA)(DDA)
entity.polymer type: polysaccharide(D)
entity.sf category: entity
entity.sf framecode: chromomycin
entity.thiol state: not present
entity.type: polymer

4753,3
type: entity
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity.entry id: 4753
entity.id: 3
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 65.409
entity.name: ZN
entity.nonpolymer comp id: ZN
entity.nonpolymer comp label: chem_comp_ZN
entity.nstd chirality: no
entity.nstd linkage: no
entity.parent entity id: 3
entity.polymer seq one letter code can: (ZN)
entity.sf category: entity
entity.sf framecode: ZN
entity.type: non-polymer

1,4753,1
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 4753
entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: d(TTGGCCAA) DNA octamer 1
entity assembly.entity id: 1
entity assembly.entity label: DNA_octamer
entity assembly.magnetic equivalence group code: 1
entity assembly.physical state: native

1,4753,2
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 4753
entity assembly.id: 2
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: d(TTGGCCAA) DNA octamer 2
entity assembly.entity id: 1
entity assembly.entity label: DNA_octamer
entity assembly.magnetic equivalence group code: 1
entity assembly.physical state: native

1,4753,3
type: entity assembly
of datablock: info:bmrb/4753
entity assembly.assembly id: 1
entity assembly.entry id: 4753
entity assembly.id: 3
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: chromomycin-A3 1
entity assembly.entity id: 2
entity assembly.entity label: chromomycin
entity assembly.magnetic equivalence group code: 2
entity assembly.physical state: native

1,4753,4
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 4753
entity assembly.id: 4
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: chromomycin-A3 2
entity assembly.entity id: 2
entity assembly.entity label: chromomycin
entity assembly.magnetic equivalence group code: 2
entity assembly.physical state: native

1,4753,5
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 4753
entity assembly.id: 5
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: Zn(II) 1
entity assembly.entity id: 3
entity assembly.entity label: ZN
entity assembly.magnetic equivalence group code: 3
entity assembly.physical state: native

1,4753,6
type: entity assembly
of datablock: info:bmrb/4753
entity assembly.assembly id: 1
entity assembly.entry id: 4753
entity assembly.id: 6
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: Zn(II) 2
entity assembly.entity id: 3
entity assembly.entity label: ZN
entity assembly.magnetic equivalence group code: 3
entity assembly.physical state: native

1,4753,DNA octamer,common
type: entity common name
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entity common name.entity id: 1
entity common name.entry id: 4753
entity common name.name: DNA octamer
entity common name.type: common

1,4753,DNA,abbreviation
type: entity common name
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entity common name.entity id: 1
entity common name.entry id: 4753
entity common name.name: DNA
entity common name.type: abbreviation

2,4753,chromomycin,common
type: entity common name
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entity common name.entity id: 2
entity common name.entry id: 4753
entity common name.name: chromomycin
entity common name.type: common

2,4753,chromomycin,abbreviation
type: entity common name
of datablock: info:bmrb/4753
entity common name.entity id: 2
entity common name.entry id: 4753
entity common name.name: chromomycin
entity common name.type: abbreviation

1,4753,1
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 1
entity comp index.auth seq id: 11
entity comp index.comp id: DT

1,4753,2
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 2
entity comp index.auth seq id: 12
entity comp index.comp id: DT

1,4753,3
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 3
entity comp index.auth seq id: 13
entity comp index.comp id: DG

1,4753,4
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 4
entity comp index.auth seq id: 14
entity comp index.comp id: DG

1,4753,5
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 5
entity comp index.auth seq id: 15
entity comp index.comp id: DC

1,4753,6
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 6
entity comp index.auth seq id: 16
entity comp index.comp id: DC

1,4753,7
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 7
entity comp index.auth seq id: 17
entity comp index.comp id: DA

1,4753,8
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 1
entity comp index.entry id: 4753
entity comp index.id: 8
entity comp index.auth seq id: 18
entity comp index.comp id: DA

2,4753,9
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 2
entity comp index.entry id: 4753
entity comp index.id: 9
entity comp index.auth seq id: 21
entity comp index.comp id: 1GL

2,4753,10
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 2
entity comp index.entry id: 4753
entity comp index.id: 10
entity comp index.auth seq id: 22
entity comp index.comp id: 2GL

2,4753,11
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 2
entity comp index.entry id: 4753
entity comp index.id: 11
entity comp index.auth seq id: 23
entity comp index.comp id: DXB

2,4753,12
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 2
entity comp index.entry id: 4753
entity comp index.id: 12
entity comp index.auth seq id: 24
entity comp index.comp id: 1AR

2,4753,13
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 2
entity comp index.entry id: 4753
entity comp index.id: 13
entity comp index.auth seq id: 25
entity comp index.comp id: DDA

2,4753,14
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 2
entity comp index.entry id: 4753
entity comp index.id: 14
entity comp index.auth seq id: 26
entity comp index.comp id: DDA

3,4753,15
type: entity comp index
of datablock: info:bmrb/4753
entity comp index.entity id: 3
entity comp index.entry id: 4753
entity comp index.id: 15
entity comp index.comp id: ZN

1,4753,1
type: entity experimental src
of datablock: info:bmrb/4753
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 4753
entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: DNA_octamer
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: chemical synthesis
entity experimental src.vendor name: Oligo's etc.

1,4753,2
type: entity experimental src
of datablock: info:bmrb/4753
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 4753
entity experimental src.id: 2
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 2
entity experimental src.entity label: chromomycin
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: obtained from a vendor

1,4753,3
type: entity experimental src
of datablock: info:bmrb/4753
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 4753
entity experimental src.id: 3
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 3
entity experimental src.entity label: ZN
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: obtained from a vendor
entity experimental src.vendor name: Sigma

4753,1
type: entity experimental src list
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity experimental src list.entry id: 4753
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,4753,1
type: entity natural src
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity natural src.entity natural src list id: 1
entity natural src.entry id: 4753
entity natural src.id: 1
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: DNA_octamer
entity natural src.genus: Not applicable
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: na
entity natural src.organism name common: unidentified
entity natural src.organism name scientific: unidentified
entity natural src.species: unidentified
entity natural src.superkingdom: Unclassified

1,4753,2
type: entity natural src
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity natural src.entity natural src list id: 1
entity natural src.entry id: 4753
entity natural src.id: 2
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 2
entity natural src.entity label: chromomycin
entity natural src.genus: Not applicable
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: na
entity natural src.organism name common: unidentified
entity natural src.organism name scientific: unidentified
entity natural src.species: unidentified
entity natural src.superkingdom: Unclassified

1,4753,3
type: entity natural src
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity natural src.entity natural src list id: 1
entity natural src.entry id: 4753
entity natural src.id: 3
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 3
entity natural src.entity label: ZN
entity natural src.genus: Not applicable
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: na
entity natural src.organism name common: unidentified
entity natural src.organism name scientific: unidentified
entity natural src.species: unidentified
entity natural src.superkingdom: Unclassified

4753,1
type: entity natural src list
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entity natural src list.entry id: 4753
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

1,4753,1
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: DT

1,4753,2
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: DT

1,4753,3
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: DG

1,4753,4
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: DG

1,4753,5
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: DC

1,4753,6
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: DC

1,4753,7
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 7
entity poly seq.comp index id: 7
entity poly seq.mon id: DA

1,4753,8
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 1
entity poly seq.entry id: 4753
entity poly seq.num: 8
entity poly seq.comp index id: 8
entity poly seq.mon id: DA

2,4753,1
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 2
entity poly seq.entry id: 4753
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: 1GL

2,4753,2
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 2
entity poly seq.entry id: 4753
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: 2GL

2,4753,3
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 2
entity poly seq.entry id: 4753
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: DXB

2,4753,4
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 2
entity poly seq.entry id: 4753
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: 1AR

2,4753,5
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 2
entity poly seq.entry id: 4753
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: DDA

2,4753,6
type: entity poly seq
of datablock: info:bmrb/4753
entity poly seq.entity id: 2
entity poly seq.entry id: 4753
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: DDA

4753,1
type: entry author
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
entry author.entry id: 4753
entry author.ordinal: 1
entry author.family name: Gochin
entry author.given name: M.
entry author.pdbx name: Gochin, M.

4753,1,1
type: experiment
of datablock: info:bmrb/4753
experiment.entry id: 4753
experiment.experiment list id: 1
experiment.id: 1
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D NOESY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer
experiment.nmr spectrometer probe id: 0
experiment.sample condition list id: 1
experiment.sample condition list label: sample_cond_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

4753,1,2
type: experiment
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experiment.entry id: 4753
experiment.experiment list id: 1
experiment.id: 2
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 13C-1H HMQC
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer
experiment.nmr spectrometer probe id: 0
experiment.sample condition list id: 1
experiment.sample condition list label: sample_cond_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

4753,1
type: experiment list
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
experiment list.entry id: 4753
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

4753,1
type: nmr spec expt
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
nmr spec expt.entry id: 4753
nmr spec expt.id: 1
nmr spec expt.method id: 0
nmr spec expt.name: 2D NOESY
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: NMR_spectrometer
nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
nmr spec expt.sf framecode: NMR_spec_expt__0_1
nmr spec expt.software id: 0

4753,2
type: nmr spec expt
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
nmr spec expt.entry id: 4753
nmr spec expt.id: 2
nmr spec expt.method id: 0
nmr spec expt.name: 13C-1H HMQC
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: NMR_spectrometer
nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
nmr spec expt.sf framecode: NMR_spec_expt__0_2
nmr spec expt.software id: 0

4753,1
type: nmr spectrometer
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
nmr spectrometer.entry id: 4753
nmr spectrometer.id: 1
nmr spectrometer.field strength: 500
nmr spectrometer.manufacturer: GE
nmr spectrometer.model: Omega
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer

4753,1
type: nmr spectrometer list
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
nmr spectrometer list.entry id: 4753
nmr spectrometer list.id: 1
nmr spectrometer list.sf category: NMR_spectrometer_list
nmr spectrometer list.sf framecode: spectrometer_list

4753,1,NMR spectrometer,1
type: nmr spectrometer view
of datablock: info:bmrb/4753
nmr spectrometer view.entry id: 4753
nmr spectrometer view.id: 1
nmr spectrometer view.name: NMR_spectrometer
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 500
nmr spectrometer view.manufacturer: GE
nmr spectrometer view.model: Omega

4746,BMRB,4753
type: related entries
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
related entries.database accession code: 4746
related entries.database name: BMRB
related entries.entry id: 4753
related entries.relationship: cobalt complex

info:bmrb/4746

4753,2
type: release
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
release.entry id: 4753
release.release number: 2
release.author: BMRB
release.date: 2010-07-15Z
release.detail: update DNA residue label to two-letter code
release.submission date: 2000-05-22Z
release.type: update

4753,1
type: release
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
release.entry id: 4753
release.release number: 1
release.author: author
release.date: 2000-07-11Z
release.detail: original release
release.submission date: 2000-05-22Z
release.type: original

4753,1
type: sample
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
sample.entry id: 4753
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_1
sample.type: solution

4753,1,1
type: sample component
of datablock: info:bmrb/4753
sample component.entry id: 4753
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 0
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: DNA_octamer
sample component.mol common name: DNA octamer

4753,2,1
type: sample component
of datablock: info:bmrb/4753
sample component.entry id: 4753
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 0
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 2
sample component.entity label: chromomycin
sample component.mol common name: chromomycin

4753,3,1
type: sample component
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sample component.entry id: 4753
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 0
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 3
sample component.entity label: ZN
sample component.mol common name: ZINC (II) ION

4753,4,1
type: sample component
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sample component.entry id: 4753
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: NaCl

4753,5,1
type: sample component
of datablock: info:bmrb/4753
sample component.entry id: 4753
sample component.id: 5
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: Na borate

4753,1
type: sample condition list
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
sample condition list.entry id: 4753
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_cond_1

4753,1,pH
type: sample condition variable
of datablock: info:bmrb/4753
sample condition variable.entry id: 4753
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 6
sample condition variable.val err: 0.2

4753,1,temperature
type: sample condition variable
of datablock: info:bmrb/4753
sample condition variable.entry id: 4753
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val err: 1
sample condition variable.val units: K

4753,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/4753
sample condition variable.entry id: 4753
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 110
sample condition variable.val units: mM

4753,1,pressure
type: sample condition variable
of datablock: info:bmrb/4753
sample condition variable.entry id: 4753
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

4753,1
type: software
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
software.entry id: 4753
software.id: 1
software.details: DeLaglio and Bax
software.name: NMRPipe
software.sf category: software
software.sf framecode: NMRPipe
software.version: 1.7

4753,2
type: software
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
software.entry id: 4753
software.id: 2
software.details: Kneller and Goddard
software.name: SPARKY
software.sf category: software
software.sf framecode: Sparky
software.version: 3.0

4753,3
type: software
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
software.entry id: 4753
software.id: 3
software.details: Brunger (modified Gochin and Tu)
software.name: X-PLOR
software.sf category: software
software.sf framecode: X-PLOR
software.version: 3.0, 3.851

4753,4
type: software
of datablock: info:bmrb/4753
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4753/entry/4753
software.entry id: 4753
software.id: 4
software.details: Biosym
software.name: FELIX
software.sf category: software
software.sf framecode: FELIX
software.version: 2.1

4753,2,data analysis
type: task
of datablock: info:bmrb/4753
task.entry id: 4753
task.software id: 2
task.task: data analysis

4753,4,data analysis
type: task
of datablock: info:bmrb/4753
task.entry id: 4753
task.software id: 4
task.task: data analysis

4753,1,processing
type: task
of datablock: info:bmrb/4753
task.entry id: 4753
task.software id: 1
task.task: processing

4753,3,refinement
type: task
of datablock: info:bmrb/4753
task.entry id: 4753
task.software id: 3
task.task: refinement