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of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 844
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 25

1,845,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 845
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 25

1,846,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 846
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 25

1,847,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 847
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 25

1,857,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 857
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 26

1,858,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 858
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 26

1,859,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 859
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 26

1,860,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 860
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 26

1,870,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 870
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 27

1,871,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 871
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 27

1,872,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 872
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 27

1,893,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 893
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 28

1,894,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 894
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 28

1,902,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 902
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 29

1,903,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 903
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 29

1,904,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 904
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 29

1,908,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 908
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 29

1,912,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 912
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 30

1,913,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 913
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 30

1,996,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 996
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 31

1,997,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 997
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 31

1,998,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 998
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 31

1,999,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 999
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 31

1,1000,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 1000
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 32

1,1010,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 1010
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 32

1,1011,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 1011
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 32

1,1012,5828
type: ambiguous atom chem shift
of datablock: info:bmrb/5828
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 1012
ambiguous atom chem shift.entry id: 5828
ambiguous atom chem shift.ambiguous shift set id: 32

5828,1
type: assembly
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
assembly.entry id: 5828
assembly.id: 1
assembly.name: Horse cytochrome c
assembly.paramagnetic: yes
assembly.sf category: assembly
assembly.sf framecode: system_cyt_c
assembly.thiol state: not reported

https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
referenced by assembly: 5828,1
referenced by assigned chem shift list: 5828,1
referenced by chem comp: 5828,HEM
referenced by chem comp atom: CHA,HEM,5828
referenced by chem comp atom: CHB,HEM,5828
referenced by chem comp atom: CHC,HEM,5828
referenced by chem comp atom: CHD,HEM,5828
referenced by chem comp atom: C1A,HEM,5828
referenced by chem comp atom: C2A,HEM,5828
referenced by chem comp atom: C3A,HEM,5828
referenced by chem comp atom: C4A,HEM,5828
referenced by chem comp atom: CMA,HEM,5828
referenced by chem comp atom: CAA,HEM,5828
referenced by chem comp atom: CBA,HEM,5828
referenced by chem comp atom: CGA,HEM,5828
referenced by chem comp atom: O1A,HEM,5828
referenced by chem comp atom: O2A,HEM,5828
referenced by chem comp atom: C1B,HEM,5828
referenced by chem comp atom: C2B,HEM,5828
referenced by chem comp atom: C3B,HEM,5828
referenced by chem comp atom: C4B,HEM,5828
referenced by chem comp atom: CMB,HEM,5828
referenced by chem comp atom: CAB,HEM,5828
referenced by chem comp atom: CBB,HEM,5828
referenced by chem comp atom: C1C,HEM,5828
referenced by chem comp atom: C2C,HEM,5828
referenced by chem comp atom: C3C,HEM,5828
referenced by chem comp atom: C4C,HEM,5828
referenced by chem comp atom: CMC,HEM,5828
referenced by chem comp atom: CAC,HEM,5828
referenced by chem comp atom: CBC,HEM,5828
referenced by chem comp atom: C1D,HEM,5828
referenced by chem comp atom: C2D,HEM,5828
referenced by chem comp atom: C3D,HEM,5828
referenced by chem comp atom: C4D,HEM,5828
referenced by chem comp atom: CMD,HEM,5828
referenced by chem comp atom: CAD,HEM,5828
referenced by chem comp atom: CBD,HEM,5828
referenced by chem comp atom: CGD,HEM,5828
referenced by chem comp atom: O1D,HEM,5828
referenced by chem comp atom: O2D,HEM,5828
referenced by chem comp atom: NA,HEM,5828
referenced by chem comp atom: NB,HEM,5828
referenced by chem comp atom: NC,HEM,5828
referenced by chem comp atom: ND,HEM,5828
referenced by chem comp atom: FE,HEM,5828
referenced by chem comp atom: HHB,HEM,5828
referenced by chem comp atom: HHC,HEM,5828
referenced by chem comp atom: HHD,HEM,5828
referenced by chem comp atom: HMA,HEM,5828
referenced by chem comp atom: HMAA,HEM,5828
referenced by chem comp atom: HMAB,HEM,5828
referenced by chem comp atom: HAA,HEM,5828
referenced by chem comp atom: HAAA,HEM,5828
referenced by chem comp atom: HBA,HEM,5828
referenced by chem comp atom: HBAA,HEM,5828
referenced by chem comp atom: HMB,HEM,5828
referenced by chem comp atom: HMBA,HEM,5828
referenced by chem comp atom: HMBB,HEM,5828
referenced by chem comp atom: HAB,HEM,5828
referenced by chem comp atom: HBB,HEM,5828
referenced by chem comp atom: HBBA,HEM,5828
referenced by chem comp atom: HMC,HEM,5828
referenced by chem comp atom: HMCA,HEM,5828
referenced by chem comp atom: HMCB,HEM,5828
referenced by chem comp atom: HAC,HEM,5828
referenced by chem comp atom: HBC,HEM,5828
referenced by chem comp atom: HBCA,HEM,5828
referenced by chem comp atom: HMD,HEM,5828
referenced by chem comp atom: HMDA,HEM,5828
referenced by chem comp atom: HMDB,HEM,5828
referenced by chem comp atom: HAD,HEM,5828
referenced by chem comp atom: HADA,HEM,5828
referenced by chem comp atom: HBD,HEM,5828
referenced by chem comp atom: HBDA,HEM,5828
referenced by chem comp atom: H2A,HEM,5828
referenced by chem comp atom: H2D,HEM,5828
referenced by chem comp atom: HHA,HEM,5828
referenced by chem shift completeness char: 1,5828,1
referenced by chem shift completeness char: 1,5828,2

1,5828,Horse cytochrome c,system
type: assembly common name
of datablock: info:bmrb/5828
assembly common name.assembly id: 1
assembly common name.entry id: 5828
assembly common name.name: Horse cytochrome c
assembly common name.type: system

1,5828,cyt c,abbreviation
type: assembly common name
of datablock: info:bmrb/5828
assembly common name.assembly id: 1
assembly common name.entry id: 5828
assembly common name.name: cyt c
assembly common name.type: abbreviation

1,5828,protein monomer
type: assembly type
of datablock: info:bmrb/5828
assembly type.assembly id: 1
assembly type.entry id: 5828
assembly type.type: protein monomer

5828,1
type: assigned chem shift list
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
assigned chem shift list.entry id: 5828
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_reference
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: cyt_ox_assignments

1,5828,1
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLY
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: 3.24
atom chem shift.val err: 0.13

1,5828,2
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 2
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLY
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: 3.75
atom chem shift.val err: 0.13

1,5828,3
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 3
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLY
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: 167.97
atom chem shift.val err: 0.25

1,5828,4
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 4
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLY
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: 42.74
atom chem shift.val err: 0.42

1,5828,5
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 5
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
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: 9.41
atom chem shift.val err: 0.04

1,5828,6
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 6
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
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: 4.75
atom chem shift.val err: 0.13

1,5828,7
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 7
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
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: 2.67
atom chem shift.val err: 0.13

1,5828,8
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 8
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
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: 2.34
atom chem shift.val err: 0.13

1,5828,9
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 9
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
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: 175.68
atom chem shift.val err: 0.25

1,5828,10
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 10
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
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: 52.78
atom chem shift.val err: 0.42

1,5828,11
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 11
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
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: 42.79
atom chem shift.val err: 0.42

1,5828,12
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 12
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
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: 124.83
atom chem shift.val err: 0.19

1,5828,13
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 13
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 8.57
atom chem shift.val err: 0.04

1,5828,14
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 14
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 3.46
atom chem shift.val err: 0.13

1,5828,15
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 15
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 2.10
atom chem shift.val err: 0.13

1,5828,16
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 16
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 1.02
atom chem shift.val err: 0.04

1,5828,17
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 17
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 1.02
atom chem shift.val err: 0.04

1,5828,18
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 18
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 1.02
atom chem shift.val err: 0.04

1,5828,19
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 19
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 0.98
atom chem shift.val err: 0.04

1,5828,20
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 20
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 0.98
atom chem shift.val err: 0.04

1,5828,21
type: atom chem shift
of datablock: info:bmrb/5828
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1,5828,22
type: atom chem shift
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1,5828,23
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1,5828,24
type: atom chem shift
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1,5828,25
type: atom chem shift
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1,5828,26
type: atom chem shift
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1,5828,27
type: atom chem shift
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1,5828,28
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1,5828,29
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1,5828,30
type: atom chem shift
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1,5828,31
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1,5828,32
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1,5828,33
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1,5828,34
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1,5828,35
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1,5828,36
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1,5828,37
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1,5828,38
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1,5828,39
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1,5828,40
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1,5828,41
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1,5828,42
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1,5828,43
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1,5828,44
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1,5828,45
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1,5828,47
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1,5828,50
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1,5828,149
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1,5828,150
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1,5828,151
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1,5828,152
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1,5828,156
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1,5828,157
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1,5828,158
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1,5828,159
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1,5828,160
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1,5828,161
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1,5828,162
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1,5828,167
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1,5828,168
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1,5828,192
type: atom chem shift
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1,5828,193
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1,5828,194
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1,5828,195
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1,5828,196
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1,5828,200
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1,5828,201
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1,5828,202
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1,5828,203
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1,5828,204
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1,5828,205
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1,5828,206
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1,5828,207
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1,5828,208
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1,5828,210
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1,5828,212
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1,5828,213
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1,5828,214
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1,5828,227
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1,5828,229
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1,5828,234
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1,5828,235
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1,5828,237
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1,5828,238
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1,5828,239
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1,5828,243
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1,5828,244
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1,5828,245
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1,5828,246
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1,5828,277
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1,5828,278
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1,5828,279
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1,5828,280
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1,5828,281
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1,5828,282
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1,5828,283
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1,5828,284
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1,5828,285
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1,5828,286
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1,5828,287
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1,5828,288
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1,5828,289
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1,5828,292
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1,5828,293
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1,5828,294
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1,5828,295
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1,5828,296
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1,5828,297
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1,5828,299
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1,5828,300
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1,5828,301
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1,5828,302
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1,5828,311
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1,5828,319
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1,5828,320
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1,5828,321
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1,5828,322
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1,5828,323
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1,5828,324
type: atom chem shift
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1,5828,325
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1,5828,326
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1,5828,327
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1,5828,328
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1,5828,329
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1,5828,330
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1,5828,331
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1,5828,332
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1,5828,333
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1,5828,334
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1,5828,335
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1,5828,336
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1,5828,337
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1,5828,338
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1,5828,339
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1,5828,340
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1,5828,341
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1,5828,343
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1,5828,344
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1,5828,345
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1,5828,361
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1,5828,362
type: atom chem shift
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1,5828,363
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1,5828,364
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1,5828,365
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1,5828,366
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1,5828,367
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1,5828,368
type: atom chem shift
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1,5828,369
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1,5828,370
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1,5828,371
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1,5828,372
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1,5828,373
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1,5828,374
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1,5828,376
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1,5828,379
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atom chem shift.val: 33.62
atom chem shift.val err: 0.42

1,5828,404
type: atom chem shift
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atom chem shift.val err: 0.19

1,5828,405
type: atom chem shift
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1,5828,406
type: atom chem shift
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1,5828,407
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1,5828,408
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1,5828,409
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1,5828,410
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1,5828,411
type: atom chem shift
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1,5828,412
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1,5828,413
type: atom chem shift
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1,5828,414
type: atom chem shift
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1,5828,415
type: atom chem shift
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1,5828,416
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1,5828,417
type: atom chem shift
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1,5828,418
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1,5828,419
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1,5828,420
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1,5828,421
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1,5828,423
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1,5828,424
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1,5828,425
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1,5828,426
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1,5828,427
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1,5828,428
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1,5828,432
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1,5828,434
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1,5828,446
type: atom chem shift
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atom chem shift.val: 4.08
atom chem shift.val err: 0.13

1,5828,447
type: atom chem shift
of datablock: info:bmrb/5828
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atom chem shift.val err: 0.13

1,5828,448
type: atom chem shift
of datablock: info:bmrb/5828
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1,5828,449
type: atom chem shift
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atom chem shift.val: 178.78
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1,5828,450
type: atom chem shift
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1,5828,451
type: atom chem shift
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1,5828,452
type: atom chem shift
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atom chem shift.val: 126.42
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1,5828,453
type: atom chem shift
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1,5828,454
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1,5828,455
type: atom chem shift
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1,5828,456
type: atom chem shift
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1,5828,457
type: atom chem shift
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1,5828,458
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1,5828,459
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1,5828,460
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1,5828,461
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1,5828,462
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1,5828,463
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1,5828,464
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1,5828,465
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1,5828,467
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1,5828,468
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1,5828,469
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1,5828,470
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1,5828,667
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1,5828,668
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1,5828,912
type: atom chem shift
of datablock: info:bmrb/5828
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1,5828,916
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type: atom chem shift
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type: atom chem shift
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1,5828,919
type: atom chem shift
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type: atom chem shift
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1,5828,923
type: atom chem shift
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1,5828,1020
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atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1037
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 69.80
atom chem shift.val err: 0.42

1,5828,1038
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1038
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 22.14
atom chem shift.val err: 0.16

1,5828,1039
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1039
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 102.12
atom chem shift.val err: 0.19

1,5828,1040
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1040
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 7.11
atom chem shift.val err: 0.04

1,5828,1041
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1041
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 5.08
atom chem shift.val err: 0.13

1,5828,1042
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1042
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 2.89
atom chem shift.val err: 0.13

1,5828,1043
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1043
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 2.61
atom chem shift.val err: 0.13

1,5828,1044
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1044
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 173.67
atom chem shift.val err: 0.25

1,5828,1045
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1045
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 53.00
atom chem shift.val err: 0.42

1,5828,1046
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1046
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 40.89
atom chem shift.val err: 0.42

1,5828,1047
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1047
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 119.70
atom chem shift.val err: 0.19

1,5828,1048
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1048
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 7.36
atom chem shift.val err: 0.04

1,5828,1049
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1049
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 57.44
atom chem shift.val err: 0.42

1,5828,1050
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1050
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 31.35
atom chem shift.val err: 0.42

1,5828,1051
type: atom chem shift
of datablock: info:bmrb/5828
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 5828
atom chem shift.id: 1051
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 124.86
atom chem shift.val err: 0.19

1,5828,1
type: bond
of datablock: info:bmrb/5828
bond.assembly id: 1
bond.entry id: 5828
bond.id: 1
bond.atom id 1: SG
bond.atom id 2: CAB
bond.comp id 1: CYS
bond.comp id 2: HEM
bond.comp index id 1: 14
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 14
bond.seq id 2: 1
bond.type: covalent
bond.value order: sing

1,5828,2
type: bond
of datablock: info:bmrb/5828
bond.assembly id: 1
bond.entry id: 5828
bond.id: 2
bond.atom id 1: SG
bond.atom id 2: CAC
bond.comp id 1: CYS
bond.comp id 2: HEM
bond.comp index id 1: 17
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 17
bond.seq id 2: 1
bond.type: covalent
bond.value order: sing

1,5828,3
type: bond
of datablock: info:bmrb/5828
bond.assembly id: 1
bond.entry id: 5828
bond.id: 3
bond.atom id 1: NE2
bond.atom id 2: FE
bond.comp id 1: HIS
bond.comp id 2: HEM
bond.comp index id 1: 18
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 18
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

1,5828,4
type: bond
of datablock: info:bmrb/5828
bond.assembly id: 1
bond.entry id: 5828
bond.id: 4
bond.atom id 1: SD
bond.atom id 2: FE
bond.comp id 1: MET
bond.comp id 2: HEM
bond.comp index id 1: 80
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 80
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

5828,HEM
type: chem comp
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp.entry id: 5828
chem comp.id: HEM
chem comp.ambiguous flag: yes
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 Fri Jun 10 14:10:54 2011
chem comp.formal charge: 0
chem comp.formula: C34 H32 Fe N4 O4
chem comp.formula weight: 616.487
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 3IA3
chem comp.model coordinates missing flag: no
chem comp.modified date: 2009-08-10Z
chem comp.name: PROTOPORPHYRIN IX CONTAINING FE
chem comp.pdb code: HEM
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.replaces: MHM
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_HEM
chem comp.synonyms: HEME
chem comp.three letter code: HEM
chem comp.type: NON-POLYMER

info:pdb-ccd/HEM

urn:miriam:pdb-ccd:HEM

info:pdb.ligand/HEM

urn:miriam:pdb.ligand:HEM

CHA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.748
chem comp atom.model cartn x ideal: -2.161
chem comp atom.model cartn y: -19.531
chem comp atom.model cartn y ideal: -0.125
chem comp atom.model cartn z: 39.896
chem comp atom.model cartn z ideal: 0.490
chem comp atom.pdb atom id: CHA
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.258
chem comp atom.model cartn x ideal: 1.458
chem comp atom.model cartn y: -17.744
chem comp atom.model cartn y ideal: -3.419
chem comp atom.model cartn z: 35.477
chem comp atom.model cartn z ideal: 0.306
chem comp atom.pdb atom id: CHB
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.703
chem comp atom.model cartn x ideal: 4.701
chem comp atom.model cartn y: -21.900
chem comp atom.model cartn y ideal: 0.169
chem comp atom.model cartn z: 33.637
chem comp atom.model cartn z ideal: -0.069
chem comp atom.pdb atom id: CHC
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.149
chem comp atom.model cartn x ideal: 1.075
chem comp atom.model cartn y: -23.677
chem comp atom.model cartn y ideal: 3.460
chem comp atom.model cartn z: 38.059
chem comp atom.model cartn z ideal: 0.018
chem comp atom.pdb atom id: CHD
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1A,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.031
chem comp atom.model cartn x ideal: -1.436
chem comp atom.model cartn y: -18.673
chem comp atom.model cartn y ideal: -1.305
chem comp atom.model cartn z: 38.872
chem comp atom.model cartn z ideal: 0.380
chem comp atom.pdb atom id: C1A
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2A,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.578
chem comp atom.model cartn x ideal: -2.015
chem comp atom.model cartn y: -17.325
chem comp atom.model cartn y ideal: -2.587
chem comp atom.model cartn z: 39.013
chem comp atom.model cartn z ideal: 0.320
chem comp atom.pdb atom id: C2A
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3A,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C3A
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.705
chem comp atom.model cartn x ideal: -1.009
chem comp atom.model cartn y: -16.820
chem comp atom.model cartn y ideal: -3.500
chem comp atom.model cartn z: 37.785
chem comp atom.model cartn z ideal: 0.270
chem comp atom.pdb atom id: C3A
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4A,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C4A
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.256
chem comp atom.model cartn x ideal: 0.216
chem comp atom.model cartn y: -17.863
chem comp atom.model cartn y ideal: -2.803
chem comp atom.model cartn z: 36.862
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: C4A
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.227
chem comp atom.model cartn x ideal: -1.175
chem comp atom.model cartn y: -15.469
chem comp atom.model cartn y ideal: -4.996
chem comp atom.model cartn z: 37.393
chem comp atom.model cartn z ideal: 0.197
chem comp atom.pdb atom id: CMA
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.945
chem comp atom.model cartn x ideal: -3.490
chem comp atom.model cartn y: -16.670
chem comp atom.model cartn y ideal: -2.893
chem comp atom.model cartn z: 40.296
chem comp atom.model cartn z ideal: 0.314
chem comp atom.pdb atom id: CAA
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.391
chem comp atom.model cartn x ideal: -3.998
chem comp atom.model cartn y: -17.138
chem comp atom.model cartn y ideal: -2.926
chem comp atom.model cartn z: 40.581
chem comp atom.model cartn z ideal: -1.129
chem comp atom.pdb atom id: CBA
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CGA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.095
chem comp atom.model cartn x ideal: -5.473
chem comp atom.model cartn y: -16.663
chem comp atom.model cartn y ideal: -3.232
chem comp atom.model cartn z: 41.825
chem comp atom.model cartn z ideal: -1.136
chem comp atom.pdb atom id: CGA
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1A,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: O1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.098
chem comp atom.model cartn x ideal: -6.059
chem comp atom.model cartn y: -15.928
chem comp atom.model cartn y ideal: -3.405
chem comp atom.model cartn z: 41.683
chem comp atom.model cartn z ideal: -0.094
chem comp atom.pdb atom id: O1A
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2A,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: O2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.657
chem comp atom.model cartn x ideal: -6.137
chem comp atom.model cartn y: -17.040
chem comp atom.model cartn y ideal: -3.311
chem comp atom.model cartn z: 42.940
chem comp atom.model cartn z ideal: -2.300
chem comp atom.pdb atom id: O2A
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1B,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C1B
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.888
chem comp atom.model cartn x ideal: 2.664
chem comp atom.model cartn y: -18.698
chem comp atom.model cartn y ideal: -2.707
chem comp atom.model cartn z: 34.579
chem comp atom.model cartn z ideal: 0.308
chem comp atom.pdb atom id: C1B
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2B,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C2B
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.933
chem comp atom.model cartn x ideal: 3.937
chem comp atom.model cartn y: -18.535
chem comp atom.model cartn y ideal: -3.328
chem comp atom.model cartn z: 33.146
chem comp atom.model cartn z ideal: 0.418
chem comp atom.pdb atom id: C2B
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3B,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C3B
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.499
chem comp atom.model cartn x ideal: 4.874
chem comp atom.model cartn y: -19.716
chem comp atom.model cartn y ideal: -2.341
chem comp atom.model cartn z: 32.632
chem comp atom.model cartn z ideal: 0.314
chem comp atom.pdb atom id: C3B
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4B,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C4B
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.187
chem comp atom.model cartn x ideal: 4.117
chem comp atom.model cartn y: -20.580
chem comp atom.model cartn y ideal: -1.079
chem comp atom.model cartn z: 33.743
chem comp atom.model cartn z ideal: 0.139
chem comp atom.pdb atom id: C4B
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.391
chem comp atom.model cartn x ideal: 4.203
chem comp atom.model cartn y: -17.290
chem comp atom.model cartn y ideal: -4.798
chem comp atom.model cartn z: 32.422
chem comp atom.model cartn z ideal: 0.613
chem comp atom.pdb atom id: CMB
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.345
chem comp atom.model cartn x ideal: 6.339
chem comp atom.model cartn y: -20.140
chem comp atom.model cartn y ideal: -2.497
chem comp atom.model cartn z: 31.217
chem comp atom.model cartn z ideal: 0.365
chem comp atom.pdb atom id: CAB
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.755
chem comp atom.model cartn x ideal: 6.935
chem comp atom.model cartn y: -19.492
chem comp atom.model cartn y ideal: -3.419
chem comp atom.model cartn z: 30.233
chem comp atom.model cartn z ideal: -0.385
chem comp atom.pdb atom id: CBB
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1C,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C1C
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.395
chem comp atom.model cartn x ideal: 3.964
chem comp atom.model cartn y: -22.786
chem comp atom.model cartn y ideal: 1.345
chem comp atom.model cartn z: 34.659
chem comp atom.model cartn z ideal: -0.174
chem comp atom.pdb atom id: C1C
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2C,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C2C
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.854
chem comp atom.model cartn x ideal: 4.531
chem comp atom.model cartn y: -24.130
chem comp atom.model cartn y ideal: 2.601
chem comp atom.model cartn z: 34.500
chem comp atom.model cartn z ideal: -0.445
chem comp atom.pdb atom id: C2C
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3C,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C3C
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.689
chem comp atom.model cartn x ideal: 3.510
chem comp atom.model cartn y: -24.626
chem comp atom.model cartn y ideal: 3.536
chem comp atom.model cartn z: 35.757
chem comp atom.model cartn z ideal: -0.437
chem comp atom.pdb atom id: C3C
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4C,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C4C
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.139
chem comp atom.model cartn x ideal: 2.304
chem comp atom.model cartn y: -23.583
chem comp atom.model cartn y ideal: 2.846
chem comp atom.model cartn z: 36.674
chem comp atom.model cartn z ideal: -0.139
chem comp atom.pdb atom id: C4C
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.550
chem comp atom.model cartn x ideal: 5.991
chem comp atom.model cartn y: -24.782
chem comp atom.model cartn y ideal: 2.880
chem comp atom.model cartn z: 33.175
chem comp atom.model cartn z ideal: -0.697
chem comp atom.pdb atom id: CMC
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.164
chem comp atom.model cartn x ideal: 3.649
chem comp atom.model cartn y: -25.943
chem comp atom.model cartn y ideal: 4.981
chem comp atom.model cartn z: 36.196
chem comp atom.model cartn z ideal: -0.692
chem comp atom.pdb atom id: CAC
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.498
chem comp atom.model cartn x ideal: 4.201
chem comp atom.model cartn y: -27.158
chem comp atom.model cartn y ideal: 5.407
chem comp atom.model cartn z: 35.750
chem comp atom.model cartn z ideal: -1.823
chem comp atom.pdb atom id: CBC
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1D,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.550
chem comp atom.model cartn x ideal: -0.102
chem comp atom.model cartn y: -22.718
chem comp atom.model cartn y ideal: 2.753
chem comp atom.model cartn z: 38.980
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: C1D
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2D,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.513
chem comp atom.model cartn x ideal: -1.382
chem comp atom.model cartn y: -22.879
chem comp atom.model cartn y ideal: 3.388
chem comp atom.model cartn z: 40.415
chem comp atom.model cartn z ideal: 0.641
chem comp atom.pdb atom id: C2D
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3D,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C3D
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.951
chem comp atom.model cartn x ideal: -2.283
chem comp atom.model cartn y: -21.691
chem comp atom.model cartn y ideal: 2.389
chem comp atom.model cartn z: 40.929
chem comp atom.model cartn z ideal: 0.774
chem comp atom.pdb atom id: C3D
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4D,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: C4D
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.277
chem comp atom.model cartn x ideal: -1.561
chem comp atom.model cartn y: -20.826
chem comp atom.model cartn y ideal: 1.137
chem comp atom.model cartn z: 39.811
chem comp atom.model cartn z ideal: 0.511
chem comp atom.pdb atom id: C4D
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.055
chem comp atom.model cartn x ideal: -1.639
chem comp atom.model cartn y: -24.094
chem comp atom.model cartn y ideal: 4.863
chem comp atom.model cartn z: 41.156
chem comp atom.model cartn z ideal: 0.811
chem comp atom.pdb atom id: CMD
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.048
chem comp atom.model cartn x ideal: -3.741
chem comp atom.model cartn y: -21.326
chem comp atom.model cartn y ideal: 2.532
chem comp atom.model cartn z: 42.352
chem comp atom.model cartn z ideal: 1.123
chem comp atom.pdb atom id: CAD
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.741
chem comp atom.model cartn x ideal: -4.573
chem comp atom.model cartn y: -20.498
chem comp atom.model cartn y ideal: 2.563
chem comp atom.model cartn z: 42.530
chem comp atom.model cartn z ideal: -0.160
chem comp atom.pdb atom id: CBD
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: CGD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.578
chem comp atom.model cartn x ideal: -6.032
chem comp atom.model cartn y: -19.987
chem comp atom.model cartn y ideal: 2.706
chem comp atom.model cartn z: 43.892
chem comp atom.model cartn z ideal: 0.189
chem comp atom.pdb atom id: CGD
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1D,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: O1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.387
chem comp atom.model cartn x ideal: -6.372
chem comp atom.model cartn y: -19.103
chem comp atom.model cartn y ideal: 2.776
chem comp atom.model cartn z: 44.303
chem comp atom.model cartn z ideal: 1.347
chem comp atom.pdb atom id: O1D
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2D,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: O2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.401
chem comp atom.model cartn x ideal: -6.954
chem comp atom.model cartn y: -20.468
chem comp atom.model cartn y ideal: 2.755
chem comp atom.model cartn z: 44.537
chem comp atom.model cartn z ideal: -0.785
chem comp atom.pdb atom id: O2D
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: O

NA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: NA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.863
chem comp atom.model cartn x ideal: -0.068
chem comp atom.model cartn y: -18.969
chem comp atom.model cartn y ideal: -1.456
chem comp atom.model cartn z: 37.554
chem comp atom.model cartn z ideal: 0.321
chem comp atom.pdb atom id: NA
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: N

NB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: NB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.439
chem comp atom.model cartn x ideal: 2.820
chem comp atom.model cartn y: -19.944
chem comp atom.model cartn y ideal: -1.386
chem comp atom.model cartn z: 34.911
chem comp atom.model cartn z ideal: 0.207
chem comp atom.pdb atom id: NB
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: N

NC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: NC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.537
chem comp atom.model cartn x ideal: 2.604
chem comp atom.model cartn y: -22.509
chem comp atom.model cartn y ideal: 1.506
chem comp atom.model cartn z: 35.976
chem comp atom.model cartn z ideal: -0.033
chem comp atom.pdb atom id: NC
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: N

ND,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: ND
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.008
chem comp atom.model cartn x ideal: -0.276
chem comp atom.model cartn y: -21.465
chem comp atom.model cartn y ideal: 1.431
chem comp atom.model cartn z: 38.663
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: ND
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: N

FE,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: FE
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.196
chem comp atom.model cartn x ideal: 1.010
chem comp atom.model cartn y: -20.749
chem comp atom.model cartn y ideal: 0.157
chem comp atom.model cartn z: 36.814
chem comp atom.model cartn z ideal: -0.060
chem comp atom.pdb atom id: FE
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: S
chem comp atom.type symbol: FE

HHB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.587
chem comp atom.model cartn x ideal: 1.498
chem comp atom.model cartn y: -16.798
chem comp atom.model cartn y ideal: -4.508
chem comp atom.model cartn z: 35.072
chem comp atom.model cartn z ideal: 0.309
chem comp atom.pdb atom id: HHB
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.553
chem comp atom.model cartn x ideal: 5.786
chem comp atom.model cartn y: -22.268
chem comp atom.model cartn y ideal: 0.229
chem comp atom.model cartn z: 32.633
chem comp atom.model cartn z ideal: -0.153
chem comp atom.pdb atom id: HHC
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.802
chem comp atom.model cartn x ideal: 1.018
chem comp atom.model cartn y: -24.613
chem comp atom.model cartn y ideal: 4.543
chem comp atom.model cartn z: 38.472
chem comp atom.model cartn z ideal: -0.083
chem comp atom.pdb atom id: HHD
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.316
chem comp atom.model cartn x ideal: -1.220
chem comp atom.model cartn y: -15.524
chem comp atom.model cartn y ideal: -5.306
chem comp atom.model cartn z: 37.249
chem comp atom.model cartn z ideal: -0.847
chem comp atom.pdb atom id: HMA
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMAA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.749
chem comp atom.model cartn x ideal: -0.328
chem comp atom.model cartn y: -15.149
chem comp atom.model cartn y ideal: -5.480
chem comp atom.model cartn z: 36.455
chem comp atom.model cartn z ideal: 0.683
chem comp atom.pdb atom id: HMAA
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMAB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.998
chem comp atom.model cartn x ideal: -2.097
chem comp atom.model cartn y: -14.743
chem comp atom.model cartn y ideal: -5.285
chem comp atom.model cartn z: 38.187
chem comp atom.model cartn z ideal: 0.702
chem comp atom.pdb atom id: HMAB
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.894
chem comp atom.model cartn x ideal: -3.662
chem comp atom.model cartn y: -15.575
chem comp atom.model cartn y ideal: -3.862
chem comp atom.model cartn z: 40.209
chem comp atom.model cartn z ideal: 0.782
chem comp atom.pdb atom id: HAA
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAAA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HAAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.264
chem comp atom.model cartn x ideal: -4.024
chem comp atom.model cartn y: -16.976
chem comp atom.model cartn y ideal: -2.121
chem comp atom.model cartn z: 41.104
chem comp atom.model cartn z ideal: 0.869
chem comp atom.pdb atom id: HAAA
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.351
chem comp atom.model cartn x ideal: -3.825
chem comp atom.model cartn y: -18.235
chem comp atom.model cartn y ideal: -1.956
chem comp atom.model cartn z: 40.650
chem comp atom.model cartn z ideal: -1.597
chem comp atom.pdb atom id: HBA
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBAA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.999
chem comp atom.model cartn x ideal: -3.464
chem comp atom.model cartn y: -16.792
chem comp atom.model cartn y ideal: -3.697
chem comp atom.model cartn z: 39.732
chem comp atom.model cartn z ideal: -1.684
chem comp atom.pdb atom id: HBAA
chem comp atom.pdbx ordinal: 53
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.319
chem comp atom.model cartn x ideal: 3.256
chem comp atom.model cartn y: -17.449
chem comp atom.model cartn y ideal: -5.336
chem comp atom.model cartn z: 31.336
chem comp atom.model cartn z ideal: 0.660
chem comp atom.pdb atom id: HMB
chem comp atom.pdbx ordinal: 54
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMBA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.753
chem comp atom.model cartn x ideal: 4.794
chem comp atom.model cartn y: -16.442
chem comp atom.model cartn y ideal: -5.175
chem comp atom.model cartn z: 32.711
chem comp atom.model cartn z ideal: -0.222
chem comp atom.pdb atom id: HMBA
chem comp atom.pdbx ordinal: 55
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMBB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.435
chem comp atom.model cartn x ideal: 4.752
chem comp atom.model cartn y: -17.072
chem comp atom.model cartn y ideal: -4.948
chem comp atom.model cartn z: 32.692
chem comp atom.model cartn z ideal: 1.543
chem comp atom.pdb atom id: HMBB
chem comp atom.pdbx ordinal: 56
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.770
chem comp atom.model cartn x ideal: 6.927
chem comp atom.model cartn y: -21.100
chem comp atom.model cartn y ideal: -1.863
chem comp atom.model cartn z: 30.963
chem comp atom.model cartn z ideal: 1.011
chem comp atom.pdb atom id: HAB
chem comp atom.pdbx ordinal: 57
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.719
chem comp atom.model cartn x ideal: 7.994
chem comp atom.model cartn y: -19.927
chem comp atom.model cartn y ideal: -3.600
chem comp atom.model cartn z: 29.245
chem comp atom.model cartn z ideal: -0.277
chem comp atom.pdb atom id: HBB
chem comp atom.pdbx ordinal: 58
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBBA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.308
chem comp atom.model cartn x ideal: 6.360
chem comp atom.model cartn y: -18.526
chem comp atom.model cartn y ideal: -3.987
chem comp atom.model cartn z: 30.414
chem comp atom.model cartn z ideal: -1.102
chem comp atom.pdb atom id: HBBA
chem comp atom.pdbx ordinal: 59
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.438
chem comp atom.model cartn x ideal: 6.554
chem comp atom.model cartn y: -25.328
chem comp atom.model cartn y ideal: 1.949
chem comp atom.model cartn z: 32.822
chem comp atom.model cartn z ideal: -0.639
chem comp atom.pdb atom id: HMC
chem comp atom.pdbx ordinal: 60
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMCA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.288
chem comp atom.model cartn x ideal: 6.110
chem comp atom.model cartn y: -25.484
chem comp atom.model cartn y ideal: 3.316
chem comp atom.model cartn z: 33.296
chem comp atom.model cartn z ideal: -1.689
chem comp atom.pdb atom id: HMCA
chem comp atom.pdbx ordinal: 61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMCB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMCB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.278
chem comp atom.model cartn x ideal: 6.362
chem comp atom.model cartn y: -24.010
chem comp atom.model cartn y ideal: 3.578
chem comp atom.model cartn z: 32.440
chem comp atom.model cartn z ideal: 0.053
chem comp atom.pdb atom id: HMCB
chem comp atom.pdbx ordinal: 62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.583
chem comp atom.model cartn x ideal: 3.303
chem comp atom.model cartn y: -25.916
chem comp atom.model cartn y ideal: 5.694
chem comp atom.model cartn z: 36.975
chem comp atom.model cartn z ideal: 0.042
chem comp atom.pdb atom id: HAC
chem comp atom.pdbx ordinal: 63
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBC,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.027
chem comp atom.model cartn x ideal: 4.614
chem comp atom.model cartn y: -28.035
chem comp atom.model cartn y ideal: 4.696
chem comp atom.model cartn z: 36.169
chem comp atom.model cartn z ideal: -2.523
chem comp atom.pdb atom id: HBC
chem comp atom.pdbx ordinal: 64
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBCA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.239
chem comp atom.model cartn x ideal: 4.235
chem comp atom.model cartn y: -27.263
chem comp atom.model cartn y ideal: 6.464
chem comp atom.model cartn z: 34.971
chem comp atom.model cartn z ideal: -2.043
chem comp atom.pdb atom id: HBCA
chem comp atom.pdbx ordinal: 65
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.142
chem comp atom.model cartn x ideal: -0.715
chem comp atom.model cartn y: -23.919
chem comp atom.model cartn y ideal: 5.415
chem comp atom.model cartn z: 42.238
chem comp atom.model cartn z ideal: 0.639
chem comp atom.pdb atom id: HMD
chem comp atom.pdbx ordinal: 66
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMDA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.006
chem comp atom.model cartn x ideal: -2.394
chem comp atom.model cartn y: -24.304
chem comp atom.model cartn y ideal: 5.185
chem comp atom.model cartn z: 40.902
chem comp atom.model cartn z ideal: 0.094
chem comp atom.pdb atom id: HMDA
chem comp atom.pdbx ordinal: 67
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMDB,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HMDB
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.680
chem comp atom.model cartn x ideal: -1.994
chem comp atom.model cartn y: -24.954
chem comp atom.model cartn y ideal: 5.055
chem comp atom.model cartn z: 40.872
chem comp atom.model cartn z ideal: 1.824
chem comp atom.pdb atom id: HMDB
chem comp atom.pdbx ordinal: 68
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.081
chem comp atom.model cartn x ideal: -4.052
chem comp atom.model cartn y: -22.206
chem comp atom.model cartn y ideal: 1.687
chem comp atom.model cartn z: 43.011
chem comp atom.model cartn z ideal: 1.738
chem comp atom.pdb atom id: HAD
chem comp atom.pdbx ordinal: 69
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HADA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HADA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.951
chem comp atom.model cartn x ideal: -3.893
chem comp atom.model cartn y: -20.739
chem comp atom.model cartn y ideal: 3.459
chem comp atom.model cartn z: 42.575
chem comp atom.model cartn z ideal: 1.677
chem comp atom.pdb atom id: HADA
chem comp atom.pdbx ordinal: 70
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBD,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.775
chem comp atom.model cartn x ideal: -4.262
chem comp atom.model cartn y: -19.642
chem comp atom.model cartn y ideal: 3.408
chem comp atom.model cartn z: 41.839
chem comp atom.model cartn z ideal: -0.775
chem comp atom.pdb atom id: HBD
chem comp atom.pdbx ordinal: 71
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBDA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HBDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.116
chem comp atom.model cartn x ideal: -4.421
chem comp atom.model cartn y: -21.147
chem comp atom.model cartn y ideal: 1.636
chem comp atom.model cartn z: 42.297
chem comp atom.model cartn z ideal: -0.714
chem comp atom.pdb atom id: HBDA
chem comp atom.pdbx ordinal: 72
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2A,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: H2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.201
chem comp atom.model cartn x ideal: -7.082
chem comp atom.model cartn y: -16.682
chem comp atom.model cartn y ideal: -3.510
chem comp atom.model cartn z: 43.632
chem comp atom.model cartn z ideal: -2.254
chem comp atom.pdb atom id: H2A
chem comp atom.pdbx ordinal: 73
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2D,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: H2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.445
chem comp atom.model cartn x ideal: -7.877
chem comp atom.model cartn y: -20.063
chem comp atom.model cartn y ideal: 2.847
chem comp atom.model cartn z: 45.395
chem comp atom.model cartn z ideal: -0.512
chem comp atom.pdb atom id: H2D
chem comp atom.pdbx ordinal: 74
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHA,HEM,5828
type: chem comp atom
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem comp atom.atom id: HHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 5828
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.913
chem comp atom.model cartn x ideal: -3.246
chem comp atom.model cartn y: -19.150
chem comp atom.model cartn y ideal: -0.188
chem comp atom.model cartn z: 40.893
chem comp atom.model cartn z ideal: 0.567
chem comp atom.pdb atom id: HHA
chem comp atom.pdbx ordinal: 75
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HEM,5828,1
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 1
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C1A
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,2
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 2
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,3
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: HHA
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,4
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 4
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,5
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 5
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C1B
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,6
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: HHB
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,7
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 7
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,8
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 8
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C1C
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,9
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: HHC
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,10
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 10
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,11
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 11
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C1D
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,12
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: HHD
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,13
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 13
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: C2A
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,14
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 14
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,15
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 15
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: C3A
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,16
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: CAA
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,17
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 17
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,18
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: CMA
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,19
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 19
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4A
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,20
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMA
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,21
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMAA
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,22
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMAB
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,23
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: CBA
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,24
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAA
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,25
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAAA
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,26
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: CGA
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,27
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBA
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,28
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBAA
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,29
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O1A
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,30
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O2A
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,31
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1B
chem comp bond.atom id 2: C2B
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,32
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 32
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1B
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,33
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 33
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: C3B
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,34
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 34
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: CMB
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,35
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,36
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 36
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: CAB
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,37
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4B
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,38
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 38
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMB
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,39
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMBA
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,40
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMBB
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,41
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: CBB
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,42
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: HAB
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,43
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBB
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,44
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBBA
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,45
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1C
chem comp bond.atom id 2: C2C
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,46
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 46
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1C
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,47
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 47
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: C3C
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,48
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 48
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: CMC
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,49
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,50
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 50
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: CAC
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,51
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4C
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,52
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 52
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMC
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,53
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMCA
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,54
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMCB
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,55
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: CBC
chem comp bond.ordinal: 55
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,56
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: HAC
chem comp bond.ordinal: 56
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,57
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBC
chem comp bond.ordinal: 57
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,58
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBCA
chem comp bond.ordinal: 58
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,59
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1D
chem comp bond.atom id 2: C2D
chem comp bond.ordinal: 59
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,60
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 60
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1D
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 60
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,61
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 61
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: C3D
chem comp bond.ordinal: 61
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,62
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 62
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: CMD
chem comp bond.ordinal: 62
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,63
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 63
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,64
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 64
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: CAD
chem comp bond.ordinal: 64
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,65
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4D
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 65
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,66
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 66
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMD
chem comp bond.ordinal: 66
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,67
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMDA
chem comp bond.ordinal: 67
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,68
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMDB
chem comp bond.ordinal: 68
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,69
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 69
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: CBD
chem comp bond.ordinal: 69
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,70
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HAD
chem comp bond.ordinal: 70
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,71
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 71
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HADA
chem comp bond.ordinal: 71
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,72
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: CGD
chem comp bond.ordinal: 72
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,73
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBD
chem comp bond.ordinal: 73
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,74
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBDA
chem comp bond.ordinal: 74
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,75
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O1D
chem comp bond.ordinal: 75
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,5828,76
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O2D
chem comp bond.ordinal: 76
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,77
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2A
chem comp bond.atom id 2: H2A
chem comp bond.ordinal: 77
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,78
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2D
chem comp bond.atom id 2: H2D
chem comp bond.ordinal: 78
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,79
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 79
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 79
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,80
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 80
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 80
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,81
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 81
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,5828,82
type: chem comp bond
of datablock: info:bmrb/5828
chem comp bond.comp id: HEM
chem comp bond.entry id: 5828
chem comp bond.id: 82
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 82
chem comp bond.stereo config: N
chem comp bond.value order: SING

chem comp descriptorCategory
has chem comp descriptor: 5828
has chem comp descriptor: 11.02
has chem comp descriptor: b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-,5828,na,1.02,INCHI
has chem comp descriptor: HEM,FEDYMSUPMFCVOD-UJJXFSCMSA-N,5828,na,1.02,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr5828/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,5828,CACTVS,3.352,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr5828/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,5828,CACTVS,3.352,SMILES
has chem comp descriptor: 3
has chem comp descriptor: 1.7
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr5828/chem_comp_descriptor/HEM,Cc1c2cc3nc(cc4c(c(c((nH)4)cc5nc(cc(c1CCC(=O)O)(nH)2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,5828,OECHEM,1.7.0,SMILES

b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-,5828,na,1.02,INCHI
type: chem comp descriptor
of datablock: info:bmrb/5828
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
chem comp descriptor.entry id: 5828
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02
chem comp descriptor.type: INCHI

HEM,FEDYMSUPMFCVOD-UJJXFSCMSA-N,5828,na,1.02,INCHI
type: chem comp descriptor
of datablock: info:bmrb/5828
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: FEDYMSUPMFCVOD-UJJXFSCMSA-N
chem comp descriptor.entry id: 5828
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr5828/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,5828,CACTVS,3.352,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/5828
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
chem comp descriptor.entry id: 5828
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr5828/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,5828,CACTVS,3.352,SMILES
type: chem comp descriptor
of datablock: info:bmrb/5828
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
chem comp descriptor.entry id: 5828
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr5828/chem_comp_descriptor/HEM,Cc1c2cc3nc(cc4c(c(c((nH)4)cc5nc(cc(c1CCC(=O)O)(nH)2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,5828,OECHEM,1.7.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/5828
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
chem comp descriptor.entry id: 5828
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES

HEM,5828,3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid,ACD,11.02,systematic name
type: chem comp identifier
of datablock: info:bmrb/5828
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 5828
chem comp identifier.identifier: 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 11.02
chem comp identifier.type: systematic name

HEM,5828,3-((5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl)propanoic acid,OECHEM,1.6.1,systematic name
type: chem comp identifier
of datablock: info:bmrb/5828
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 5828
chem comp identifier.identifier: 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.6.1
chem comp identifier.type: systematic name

1,5828,1
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
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 13c coverage: 1.000
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: 58280301

1,5828,2
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,3
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 3
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 58280301

1,5828,4
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,5
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.625
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 58280301

1,5828,6
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,7
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
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: 58280301

1,5828,8
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,9
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.625
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 58280301

1,5828,10
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
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: 58280301

1,5828,11
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 11
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.417
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.143
chem shift completeness char.sf id: 58280301

1,5828,12
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,13
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,14
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,15
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.706
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.375
chem shift completeness char.sc chem shift coverage: 0.583
chem shift completeness char.sf id: 58280301

1,5828,16
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 23
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: 58280301

1,5828,17
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 17
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 24
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: 58280301

1,5828,18
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,19
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,20
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.235
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 58280301

1,5828,21
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 58280301

1,5828,22
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 22
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.400
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 29
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: 58280301

1,5828,23
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 58280301

1,5828,24
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 24
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,25
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 25
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 58280301

1,5828,26
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 26
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,27
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 34
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: 58280301

1,5828,28
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 58280301

1,5828,29
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 29
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 58280301

1,5828,30
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 30
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 37
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: 58280301

1,5828,31
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.556
chem shift completeness char.chem shift coverage: 0.688
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.429
chem shift completeness char.sc chem shift coverage: 0.545
chem shift completeness char.sf id: 58280301

1,5828,32
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,33
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,34
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 41
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: 58280301

1,5828,35
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 58280301

1,5828,36
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,37
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 37
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.571
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,38
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 45
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: 58280301

1,5828,39
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 39
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.389
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 46
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.154
chem shift completeness char.sf id: 58280301

1,5828,40
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 40
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,41
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 41
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 58280301

1,5828,42
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 42
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,43
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 43
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,44
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 44
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,45
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 45
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,46
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 46
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,47
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,48
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 48
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.647
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,49
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 56
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: 58280301

1,5828,50
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,51
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,52
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 52
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.400
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 59
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.200
chem shift completeness char.sf id: 58280301

1,5828,53
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.700
chem shift completeness char.chem shift coverage: 0.824
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 58280301

1,5828,54
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 54
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.833
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 58280301

1,5828,55
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,56
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,57
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 57
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 64
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 58280301

1,5828,58
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
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: 58280301

1,5828,59
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
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: 58280301

1,5828,60
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 60
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 58280301

1,5828,61
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 61
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.800
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 58280301

1,5828,62
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 62
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
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.sc chem shift 13c coverage: 1.000
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: 58280301

1,5828,63
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 63
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
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.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 58280301

1,5828,64
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 64
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
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 13c coverage: 1.000
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: 58280301

1,5828,65
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 65
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.647
chem shift completeness char.comp id: LYS
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,66
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 66
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
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: 58280301

1,5828,67
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 67
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,68
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 68
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,69
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,70
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 70
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.364
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 58280301

1,5828,71
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 71
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.917
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.833
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,72
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 72
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,73
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 73
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 73
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,74
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 74
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 58280301

1,5828,75
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 75
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.429
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 75
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.400
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,76
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 76
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.571
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 76
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,77
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 77
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 77
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: 58280301

1,5828,78
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 78
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,79
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 79
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,80
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 80
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.286
chem shift completeness char.chem shift coverage: 0.385
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c 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: 58280301

1,5828,81
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 81
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,82
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 82
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.389
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 82
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.154
chem shift completeness char.sf id: 58280301

1,5828,83
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 83
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 83
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,84
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 84
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 84
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: 58280301

1,5828,85
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 85
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 85
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,86
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 86
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 86
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,87
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 87
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 87
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,88
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 88
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.706
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 88
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.375
chem shift completeness char.sc chem shift coverage: 0.583
chem shift completeness char.sf id: 58280301

1,5828,89
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 89
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 89
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,90
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 90
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 90
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,91
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 91
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.556
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 91
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.429
chem shift completeness char.sc chem shift coverage: 0.455
chem shift completeness char.sf id: 58280301

1,5828,92
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 92
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 92
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,93
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 93
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 93
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,94
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 94
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 94
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,95
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 95
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 95
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,96
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 96
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 96
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,97
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 97
chem shift completeness char.arom chem shift 13c coverage: 0.000
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 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 97
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 58280301

1,5828,98
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 98
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 58280301

1,5828,99
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 99
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 99
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,100
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 100
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 100
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 58280301

1,5828,101
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 101
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 101
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,102
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 102
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 102
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
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 13c coverage: 1.000
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: 58280301

1,5828,103
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 103
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 103
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 58280301

1,5828,104
type: chem shift completeness char
of datablock: info:bmrb/5828
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 5828
chem shift completeness char.id: 104
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.364
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 104
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 58280301

1,5828
type: chem shift completeness list
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chem shift completeness list.assigned chem shift list id: 1
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chem shift completeness list.arom chem shift 13c fraction: 0/43
chem shift completeness list.arom chem shift 15n fraction: 0/1
chem shift completeness list.arom chem shift 1h fraction: 0/44
chem shift completeness list.arom chem shift fraction: 0/88
chem shift completeness list.assigned residue coverage: 1.000
chem shift completeness list.bb chem shift 13c fraction: 292/300
chem shift completeness list.bb chem shift 15n fraction: 97/100
chem shift completeness list.bb chem shift 1h fraction: 194/204
chem shift completeness list.bb chem shift fraction: 583/604
chem shift completeness list.chem shift 13c fraction: 418/480
chem shift completeness list.chem shift 15n fraction: 97/113
chem shift completeness list.chem shift 1h fraction: 448/667
chem shift completeness list.chem shift fraction: 963/1260
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr5828_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 44/46
chem shift completeness list.methyl chem shift 1h fraction: 46/46
chem shift completeness list.methyl chem shift fraction: 90/92
chem shift completeness list.output file name: bmr5828_chem_shift_completeness.str
chem shift completeness list.queried date: 2016-07-27Z
chem shift completeness list.sc chem shift 13c fraction: 217/272
chem shift completeness list.sc chem shift 15n fraction: 0/13
chem shift completeness list.sc chem shift 1h fraction: 254/463
chem shift completeness list.sc chem shift fraction: 471/748
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: 58280301

1,5828,0
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chem shift experiment.entry id: 5828
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,1,5828,DSS
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chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 5828
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
chem shift ref.correction val cit id: 1
chem shift ref.correction val cit label: entry_citation
chem shift ref.indirect shift ratio: 1.0
chem shift ref.indirect shift ratio cit id: 1
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chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,5828,DSS
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chem shift ref.atom group: methyl protons
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chem shift ref.indirect shift ratio: 0.1013291
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13,C,1,5828,DSS
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chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
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chem shift ref.indirect shift ratio: 0.2514495
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chem shift ref.ref type: indirect

5828,1
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chem shift reference.entry id: 5828
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5828,1
type: citation
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
citation.entry id: 5828
citation.id: 1
citation.class: entry citation
citation.doi: 10.1110/ps.03211303
citation.journal abbrev: Protein Sci.
citation.journal issn: 0961-8368
citation.journal issue: 9
citation.journal name full: Protein science : a publication of the Protein Society
citation.journal volume: 12
citation.medline ui code: 22812282
citation.page first: 2104
citation.page last: 2108
citation.pubmed id: 12931009
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Backbone and side-chain heteronuclear resonance assignments and hyperfine NMR shifts in horse cytochrome c.
citation.type: journal
citation.year: 2003

info:doi/10.1110/ps.03211303

urn:miriam:doi:10.1110/ps.03211303

urn:ISSN:0961-8368

urn:miriam:issn:0961-8368

info:pmid/12931009

urn:miriam:pubmed:12931009

1,5828,1
type: citation author
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citation author.citation id: 1
citation author.entry id: 5828
citation author.ordinal: 1
citation author.family name: Liu
citation author.given name: Weixia
citation author.pdbx name: Liu, W.

1,5828,2
type: citation author
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citation author.citation id: 1
citation author.entry id: 5828
citation author.ordinal: 2
citation author.family name: Rumbley
citation author.given name: Jon
citation author.pdbx name: Rumbley, J.

1,5828,3
type: citation author
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citation author.entry id: 5828
citation author.ordinal: 3
citation author.family name: Englander
citation author.given name: S.
citation author.middle initials: Walter
citation author.pdbx name: Englander, S.WALTER.

1,5828,4
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citation author.citation id: 1
citation author.entry id: 5828
citation author.ordinal: 4
citation author.family name: Wand
citation author.given name: A.
citation author.middle initials: Joshua
citation author.pdbx name: Wand, A.JOSHUA.

5828,assigned chemical shifts
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data set.entry id: 5828
data set.type: assigned_chemical_shifts
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5828,1H chemical shifts
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datum.entry id: 5828
datum.type: 1H chemical shifts
datum.count: 536

5828,13C chemical shifts
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datum.entry id: 5828
datum.type: 13C chemical shifts
datum.count: 418

5828,15N chemical shifts
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datum.entry id: 5828
datum.type: 15N chemical shifts
datum.count: 97

5828,1
type: entity
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entity.entry id: 5828
entity.id: 1
entity.db query date: 2008-08-18Z
entity.db query revised last date: 2008-08-18Z
entity.formula weight: 11655.33
entity.name: Horse cytochrome c
entity.number of monomers: 104
entity.parent entity id: 1
entity.polymer seq one letter code: GDVEKGKKIFVQKCAQCHTVEKGGKNKTGPNLNGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE
entity.polymer seq one letter code can: GDVEKGKKIFVQKCAQCHTVEKGGKNKTGPNLNGLFGRKTGQAPGFTYTDANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKATNE
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: cyt_c
entity.thiol state: not reported
entity.type: polymer

5828,2
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entity.entry id: 5828
entity.id: 2
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 616.487
entity.name: HEM
entity.nonpolymer comp id: HEM
entity.nonpolymer comp label: chem_comp_HEM
entity.nstd chirality: no
entity.nstd linkage: no
entity.parent entity id: 2
entity.polymer seq one letter code can: (HEM)
entity.sf category: entity
entity.sf framecode: HEM
entity.type: non-polymer

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entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: cytochrome c
entity assembly.entity id: 1
entity assembly.entity label: cyt_c
entity assembly.physical state: native

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entity assembly.entity assembly name: heme
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entity common name.name: cyt c
entity common name.type: abbreviation

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2,5828,105
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610169A,PRF,1,5828
type: entity db link
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entity db link.database code: PRF
entity db link.entity id: 1
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entity db link.author supplied: yes
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entity db link.seq query to submitted percent: 100.00
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info:prf/610169A

P00004,SP,1,5828
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entity db link.database code: SP
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entity db link.author supplied: yes
entity db link.entry mol name: Cytochrome c
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 105

info:uniprot/P00004

urn:miriam:uniprot:P00004

2GIW,PDB,1,5828
type: entity db link
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entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: Solution Structure Of Reduced Horse Heart Cytochrome C, Nmr, 40 Structures
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entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
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info:pdb/2GIW

urn:miriam:pdb:2GIW

2PCB,PDB,1,5828
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entity db link.accession code: 2PCB
entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: Crystal Structure Of A Complex Between Electron Transfer Partners, Cytochrome C Peroxidase And Cytochrome C
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:pdb/2PCB

urn:miriam:pdb:2PCB

1WEJ,PDB,1,5828
type: entity db link
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entity db link.database code: PDB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: Igg1 Fab Fragment (Of E8 Antibody) Complexed With Horse Cytochrome C At 1.8 A Resolution
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:pdb/1WEJ

urn:miriam:pdb:1WEJ

2FRC,PDB,1,5828
type: entity db link
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entity db link.database code: PDB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: Cytochrome C (Reduced) From Equus Caballus, Nmr, Minimized Average Structure
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entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:pdb/2FRC

urn:miriam:pdb:2FRC

1OCD,PDB,1,5828
type: entity db link
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entity db link.accession code: 1OCD
entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: Cytochrome C (Oxidized) From Equus Caballus, Nmr, Minimized Average Structure
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
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info:pdb/1OCD

urn:miriam:pdb:1OCD

1U75,PDB,1,5828
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entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: Electron Transfer Complex Between Horse Heart Cytochrome C And Zinc-Porphyrin Substituted Cytochrome C Peroxidase
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entity db link.seq query to submitted percent: 100.00
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info:pdb/1U75

urn:miriam:pdb:1U75

1LC2,PDB,1,5828
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entity db link.author supplied: yes
entity db link.entry mol name: Solution Structure Of Reduced Horse Heart Cytochrome C In 30% Acetonitrile Solution, Nmr 30 Structures
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info:pdb/1LC2

urn:miriam:pdb:1LC2

1M60,PDB,1,5828
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entity db link.author supplied: yes
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entity db link.seq query to submitted percent: 100.00
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info:pdb/1M60

urn:miriam:pdb:1M60

1I5T,PDB,1,5828
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entity db link.entry mol name: Solution Structure Of Cyanoferricytochrome C
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
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info:pdb/1I5T

urn:miriam:pdb:1I5T

1LC1,PDB,1,5828
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entity db link.database code: PDB
entity db link.entity id: 1
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entity db link.author supplied: yes
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entity db link.seq query to submitted percent: 100.00
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info:pdb/1LC1

urn:miriam:pdb:1LC1

1GIW,PDB,1,5828
type: entity db link
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entity db link.author supplied: yes
entity db link.entry mol name: Solution Structure Of Reduced Horse Heart Cytochrome C, Nmr, Minimized Average Structure
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entity db link.seq query to submitted percent: 99.04
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info:pdb/1GIW

urn:miriam:pdb:1GIW

1HRC,PDB,1,5828
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entity db link.database code: PDB
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entity db link.entry id: 5828
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entity db link.entry mol name: High-Resolution Three-Dimensional Structure Of Horse Heart Cytochrome C
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:pdb/1HRC

urn:miriam:pdb:1HRC

1FI7,PDB,1,5828
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entity db link.database code: PDB
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entity db link.author supplied: yes
entity db link.entry mol name: Solution Structure Of The Imidazole Complex Of Cytochrome C
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info:pdb/1FI7

urn:miriam:pdb:1FI7

1FI9,PDB,1,5828
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entity db link.author supplied: yes
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entity db link.seq query to submitted percent: 100.00
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info:pdb/1FI9

urn:miriam:pdb:1FI9

1AKK,PDB,1,5828
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entity db link.database code: PDB
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entity db link.author supplied: yes
entity db link.entry mol name: Solution Structure Of Oxidized Horse Heart Cytochrome C, Nmr, Minimized Average Structure
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entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
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info:pdb/1AKK

urn:miriam:pdb:1AKK

1CRC,PDB,1,5828
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entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: Cytochrome C At Low Ionic Strength
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entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
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info:pdb/1CRC

urn:miriam:pdb:1CRC

5829,BMRB,1,5828
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entity db link.database code: BMRB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: Horse cytochrome c
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
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info:bmrb/5829

5830,BMRB,1,5828
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: Horse cytochrome c
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entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/5830

5660,BMRB,1,5828
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: oxidized cytochrome c
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/5660

5827,BMRB,1,5828
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: Horse cytochrome c
entity db link.seq homology expectation val: 3.28E-53
entity db link.seq identity: 100.00
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/5827

5026,BMRB,1,5828
type: entity db link
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
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entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/5026

5372,BMRB,1,5828
type: entity db link
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/5372

4809,BMRB,1,5828
type: entity db link
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/4809

4810,BMRB,1,5828
type: entity db link
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: ferric cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/4810

4805,BMRB,1,5828
type: entity db link
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/4805

4808,BMRB,1,5828
type: entity db link
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entity db link.database code: BMRB
entity db link.entity id: 1
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entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/4808

274,BMRB,1,5828
type: entity db link
of datablock: info:bmrb/5828
entity db link.accession code: 274
entity db link.database code: BMRB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/274

4189,BMRB,1,5828
type: entity db link
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entity db link.accession code: 4189
entity db link.database code: BMRB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/4189

243,BMRB,1,5828
type: entity db link
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entity db link.accession code: 243
entity db link.database code: BMRB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/243

244,BMRB,1,5828
type: entity db link
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entity db link.accession code: 244
entity db link.database code: BMRB
entity db link.entity id: 1
entity db link.entry id: 5828
entity db link.author supplied: yes
entity db link.entry mol name: cytochrome c
entity db link.seq homology expectation val: 2.67E-52
entity db link.seq identity: 98.08
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 104

info:bmrb/244

1,5828,1
type: entity experimental src
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entity experimental src.entity experimental src list id: 1
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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: cyt_c
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: recombinant technology

5828,1
type: entity experimental src list
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entity experimental src list.entry id: 5828
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,5828,1
type: entity natural src
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entity natural src.entity natural src list id: 1
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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: cyt_c
entity natural src.genus: Equus
entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 9796
entity natural src.organism name common: domestic horse
entity natural src.organism name scientific: Equus caballus
entity natural src.species: caballus
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/9796

urn:miriam:taxonomy:9796

5828,1
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entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

1,5828,1
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1,5828,2
type: entity poly seq
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1,5828,3
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entity poly seq.comp index id: 3
entity poly seq.mon id: VAL

1,5828,4
type: entity poly seq
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1,5828,5
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1,5828,7
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1,5828,8
type: entity poly seq
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1,5828,9
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1,5828,10
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1,5828,11
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entity poly seq.comp index id: 11
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1,5828,12
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1,5828,13
type: entity poly seq
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1,5828,14
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1,5828,15
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1,5828,16
type: entity poly seq
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1,5828,17
type: entity poly seq
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1,5828,18
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1,5828,19
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1,5828,20
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1,5828,21
type: entity poly seq
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1,5828,22
type: entity poly seq
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1,5828,23
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1,5828,24
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1,5828,27
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1,5828,28
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1,5828,30
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1,5828,31
type: entity poly seq
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1,5828,32
type: entity poly seq
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1,5828,33
type: entity poly seq
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1,5828,34
type: entity poly seq
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1,5828,35
type: entity poly seq
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1,5828,36
type: entity poly seq
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1,5828,37
type: entity poly seq
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1,5828,38
type: entity poly seq
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1,5828,39
type: entity poly seq
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1,5828,40
type: entity poly seq
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1,5828,41
type: entity poly seq
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1,5828,42
type: entity poly seq
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1,5828,43
type: entity poly seq
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1,5828,44
type: entity poly seq
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1,5828,45
type: entity poly seq
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1,5828,46
type: entity poly seq
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1,5828,47
type: entity poly seq
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1,5828,50
type: entity poly seq
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1,5828,51
type: entity poly seq
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1,5828,52
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1,5828,53
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1,5828,54
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1,5828,55
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1,5828,56
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1,5828,57
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1,5828,58
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1,5828,60
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1,5828,64
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1,5828,93
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1,5828,98
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5828,1
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5828,2
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5828,3
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5828,4
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5828,1,1
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5828,1,2
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5828,1,3
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5828,1,4
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5828,1,5
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5828,28,1
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5828,29,1
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5828,33,1
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5828,35,1
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5828,36,1
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5828,37,1
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5828,38,1
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5828,39,1
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5828,40,1
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5828,41,1
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5828,42,1
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5828,43,1
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5828,44,1
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5828,45,1
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5828,46,1
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5828,47,1
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5828,48,1
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5828,49,1
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5828,50,1
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5828,51,1
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5828,52,1
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5828,53,1
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5828,54,1
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5828,55,1
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5828,56,1
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5828,57,1
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5828,66,1
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5828,280,4
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5828,281,4
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5828,282,4
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5828,288,4
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5828,289,4
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5828,290,4
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5828,291,4
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5828,292,4
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5828,293,4
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5828,294,4
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5828,295,4
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5828,296,4
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5828,1
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5828,2
type: lacs plot
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lacs plot.line 1 terminator val x 2: 2.00
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lacs plot.line 1 terminator val y 2: -0.23
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5828,3
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lacs plot.line 1 terminator val y 2: -0.28
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lacs plot.y coord name: HA

5828,4
type: lacs plot
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lacs plot.id: 4
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr5828_LACS.str
lacs plot.input file name: bmr5828_21.str
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lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: -1.59
lacs plot.line 1 terminator val y 2: 0.82
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 8.03
lacs plot.line 2 terminator val y 1: -0.32
lacs plot.line 2 terminator val y 2: 2.36
lacs plot.output file name: bmr5828_LACS.str
lacs plot.queried date: 2019-08-15Z
lacs plot.sf category: LACS_plot
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lacs plot.source release date: 2015-02-19Z
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lacs plot.y axis chem shift offset: -0.20
lacs plot.y coord name: CO

5828,1
type: nmr spec expt
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nmr spec expt.entry id: 5828
nmr spec expt.id: 1
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nmr spec expt.name: 3D CBCA(CO)NH
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nmr spec expt.nmr spectrometer probe id: 0
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5828,2
type: nmr spec expt
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nmr spec expt.entry id: 5828
nmr spec expt.id: 2
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nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
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nmr spec expt.software id: 1
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5828,3
type: nmr spec expt
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nmr spec expt.entry id: 5828
nmr spec expt.id: 3
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nmr spec expt.name: 3D HNCO
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nmr spec expt.sf category: NMR_spectrometer_expt
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nmr spec expt.software id: 1
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5828,4
type: nmr spec expt
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nmr spec expt.entry id: 5828
nmr spec expt.id: 4
nmr spec expt.method id: 0
nmr spec expt.name: 3D (H)CC(CO)NH_TOCSY
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_4
nmr spec expt.software id: 1
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5828,5
type: nmr spec expt
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nmr spec expt.entry id: 5828
nmr spec expt.id: 5
nmr spec expt.method id: 0
nmr spec expt.name: 3D H(CC)(CO)NH_TOCSY
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: NMR_spectrometer
nmr spec expt.nmr spectrometer probe id: 0
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5828,1
type: nmr spectrometer
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nmr spectrometer.entry id: 5828
nmr spectrometer.id: 1
nmr spectrometer.field strength: 750
nmr spectrometer.manufacturer: Varian
nmr spectrometer.model: INOVA
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer

5828,1
type: nmr spectrometer list
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nmr spectrometer list.entry id: 5828
nmr spectrometer list.id: 1
nmr spectrometer list.sf category: NMR_spectrometer_list
nmr spectrometer list.sf framecode: spectrometer_list

5828,1,NMR spectrometer,1
type: nmr spectrometer view
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nmr spectrometer view.entry id: 5828
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: 750
nmr spectrometer view.manufacturer: Varian
nmr spectrometer view.model: INOVA

5827,BMRB,5828
type: related entries
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
related entries.database accession code: 5827
related entries.database name: BMRB
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related entries.relationship: cytochrome c reduced state of H26N, H33N mutant

5829,BMRB,5828
type: related entries
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related entries.database name: BMRB
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related entries.relationship: cytochrome c reduced state of wild type

5830,BMRB,5828
type: related entries
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
related entries.database accession code: 5830
related entries.database name: BMRB
related entries.entry id: 5828
related entries.relationship: cytochrome c oxidized state of wild type

5828,1
type: release
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr5828/entry/5828
release.entry id: 5828
release.release number: 1
release.author: author
release.date: 2003-09-27Z
release.submission date: 2003-06-09Z
release.type: original

5828,1
type: sample
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sample.entry id: 5828
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

5828,1,1
type: sample component
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sample component.entry id: 5828
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 1.0
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: cyt_c
sample component.isotopic labeling: [U-15N; U-13C]
sample component.mol common name: Horse cytochrome c

5828,1
type: sample condition list
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sample condition list.entry id: 5828
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_cond_1

5828,1,pH
type: sample condition variable
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sample condition variable.entry id: 5828
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 5.8
sample condition variable.val err: 0.05

5828,1,temperature
type: sample condition variable
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sample condition variable.entry id: 5828
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 293
sample condition variable.val err: 0.2
sample condition variable.val units: K

5828,1
type: software
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software.entry id: 5828
software.id: 1
software.name: FELIX
software.sf category: software
software.sf framecode: FELIX
software.version: 98