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type: datablock
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27572,1
type: assembly
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
assembly.entry id: 27572
assembly.id: 1
assembly.details: Nisin:Lipid II pores in lipid membranes. A stoichiometry of 8:4 Nis:LII units is assumed.
assembly.name: Nisin LipidII Pore
assembly.non standard bonds: no
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly

https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
referenced by assembly: 27572,1
referenced by assigned chem shift list: 27572,1
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1,The molecular complex forms pores in bacterial membranes, disrupting the membranes.,27572
type: assembly bio function
of datablock: info:bmrb/27572
assembly bio function.assembly id: 1
assembly bio function.biological function: The molecular complex forms pores in bacterial membranes, disrupting the membranes.
assembly bio function.entry id: 27572

1WCO,1,PDB,27572
type: assembly db link
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assembly db link.accession code: 1WCO
assembly db link.assembly id: 1
assembly db link.database code: PDB
assembly db link.entry id: 27572
assembly db link.author supplied: yes
assembly db link.entry details: This entry displays the 1:1 Nis:LII complex structure calculated in DMSO
assembly db link.entry experimental method: solution NMR
assembly db link.entry relation type: Nisin:LII binding interface

info:pdb/1WCO

urn:miriam:pdb:1WCO

27572,1
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assigned chem shift list.id: 1
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assigned chem shift list.error derivation method: FID resolution. On specific cases, line-broadening effects
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1,27572,1
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1,27572,2
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1,27572,4
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1,27572,5
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1,27572,6
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1,27572,7
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1,27572,8
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1,27572,9
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1,27572,10
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1,27572,11
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1,27572,13
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1,27572,14
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1,27572,16
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1,27572,17
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1,27572,18
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1,27572,26
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 26
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 38.34
atom chem shift.val err: 0.3

1,27572,27
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 27
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 27.65
atom chem shift.val err: 0.3

1,27572,28
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 28
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.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 18.16
atom chem shift.val err: 0.3

1,27572,29
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 29
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 12.67
atom chem shift.val err: 0.3

1,27572,30
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 30
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 119.1
atom chem shift.val err: 0.5

1,27572,31
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 31
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
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atom chem shift.auth comp id: DHA
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atom chem shift.comp id: DHA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 8.28
atom chem shift.val err: 0.03

1,27572,32
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 32
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.comp id: DHA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 167.3
atom chem shift.val err: 0.3

1,27572,33
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 33
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
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atom chem shift.auth comp id: DHA
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atom chem shift.comp id: DHA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 134.6
atom chem shift.val err: 0.3

1,27572,34
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 34
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.auth atom id: CB
atom chem shift.auth comp id: DHA
atom chem shift.auth seq id: 5
atom chem shift.comp id: DHA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 107.8
atom chem shift.val err: 0.3

1,27572,35
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 35
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.auth atom id: N
atom chem shift.auth comp id: DHA
atom chem shift.auth seq id: 5
atom chem shift.comp id: DHA
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 120.73
atom chem shift.val err: 0.5

1,27572,36
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 36
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 6
atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 10.85
atom chem shift.val err: 0.03

1,27572,37
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 37
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.auth seq id: 6
atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 4.15
atom chem shift.val err: 0.15

1,27572,38
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 38
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.auth atom id: C
atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 175.8
atom chem shift.val err: 0.3

1,27572,39
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 39
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 55.01
atom chem shift.val err: 0.3

1,27572,40
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 40
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 38.68
atom chem shift.val err: 0.3

1,27572,41
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 6
atom chem shift.val: 27.2
atom chem shift.val err: 0.3

1,27572,42
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 42
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 26.37
atom chem shift.val err: 0.3

1,27572,43
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 43
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 24.11
atom chem shift.val err: 0.3

1,27572,44
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 44
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
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 6
atom chem shift.comp id: LEU
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 116.7
atom chem shift.val err: 0.5

1,27572,45
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 45
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: CYS
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 7.95
atom chem shift.val err: 0.03

1,27572,46
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.comp id: CYS
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 5.43
atom chem shift.val err: 0.03

1,27572,47
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 47
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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atom chem shift.comp id: CYS
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 7
atom chem shift.val: 172.9
atom chem shift.val err: 0.3

1,27572,48
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 48
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 53.9
atom chem shift.val err: 0.3

1,27572,49
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 49
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 38.63
atom chem shift.val err: 0.3

1,27572,50
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 50
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
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atom chem shift.auth comp id: ALAS
atom chem shift.auth seq id: 7
atom chem shift.comp id: CYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 116.5
atom chem shift.val err: 0.5

1,27572,51
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 51
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 9.55
atom chem shift.val err: 0.03

1,27572,52
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 52
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 5.05
atom chem shift.val err: 0.03

1,27572,53
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 53
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 175.6
atom chem shift.val err: 0.3

1,27572,54
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 54
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 8
atom chem shift.val: 59
atom chem shift.val err: 0.3

1,27572,55
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 55
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 49.1
atom chem shift.val err: 0.3

1,27572,56
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 8
atom chem shift.val: 24
atom chem shift.val err: 0.3

1,27572,57
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 57
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ABU
atom chem shift.auth seq id: 8
atom chem shift.comp id: ABU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 104.5
atom chem shift.val err: 0.5

1,27572,58
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 58
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 4.61
atom chem shift.val err: 0.03

1,27572,59
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 59
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 177.3
atom chem shift.val err: 0.3

1,27572,60
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 60
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 66.61
atom chem shift.val err: 0.3

1,27572,61
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 61
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 31.66
atom chem shift.val err: 0.3

1,27572,62
type: atom chem shift
of datablock: info:bmrb/27572
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 27.58
atom chem shift.val err: 0.3

1,27572,63
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 63
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atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 50.75
atom chem shift.val err: 0.3

1,27572,64
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 64
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 138.3
atom chem shift.val err: 0.5

1,27572,65
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 65
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 9.49
atom chem shift.val err: 0.03

1,27572,66
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 4.25
atom chem shift.val err: 0.25

1,27572,67
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 67
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atom chem shift.val: 4.25
atom chem shift.val err: 0.25

1,27572,68
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 10
atom chem shift.val: 171.6
atom chem shift.val err: 0.3

1,27572,69
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 69
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 44.7
atom chem shift.val err: 0.3

1,27572,70
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 104.6
atom chem shift.val err: 0.5

1,27572,71
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 11
atom chem shift.val: 7.05
atom chem shift.val err: 0.03

1,27572,72
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 4.15
atom chem shift.val err: 0.03

1,27572,73
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 177.5
atom chem shift.val err: 0.3

1,27572,74
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 55.1
atom chem shift.val err: 0.3

1,27572,75
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 38.8
atom chem shift.val err: 0.3

1,27572,76
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth seq id: 11
atom chem shift.comp id: CYS
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 11
atom chem shift.val: 113.8
atom chem shift.val err: 0.5

1,27572,77
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 77
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
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atom chem shift.val: 9.05
atom chem shift.val err: 0.03

1,27572,78
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.5
atom chem shift.val err: 0.1

1,27572,79
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 177.7
atom chem shift.val err: 0.3

1,27572,80
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 58.73
atom chem shift.val err: 0.3

1,27572,81
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 31.14
atom chem shift.val err: 0.3

1,27572,82
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 26.02
atom chem shift.val err: 0.3

1,27572,83
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.56
atom chem shift.val err: 0.3

1,27572,84
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 41.59
atom chem shift.val err: 0.3

1,27572,85
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
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atom chem shift.val: 123.8
atom chem shift.val err: 0.5

1,27572,86
type: atom chem shift
of datablock: info:bmrb/27572
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atom chem shift.val: 8.32
atom chem shift.val err: 0.03

1,27572,87
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,27572,88
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 174.3
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1,27572,89
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,90
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,91
type: atom chem shift
of datablock: info:bmrb/27572
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atom chem shift.val: 22.96
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1,27572,92
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ABU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 115.9
atom chem shift.val err: 0.5

1,27572,93
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.64
atom chem shift.val err: 0.03

1,27572,94
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,95
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,96
type: atom chem shift
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1,27572,97
type: atom chem shift
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1,27572,98
type: atom chem shift
of datablock: info:bmrb/27572
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 105.4
atom chem shift.val err: 0.5

1,27572,99
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,27572,100
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,101
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 180
atom chem shift.val err: 0.3

1,27572,102
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,103
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.3

1,27572,104
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 117.3
atom chem shift.val err: 0.5

1,27572,105
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.49
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1,27572,106
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,107
type: atom chem shift
of datablock: info:bmrb/27572
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atom chem shift.val: 176.1
atom chem shift.val err: 0.3

1,27572,108
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,109
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,110
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,111
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,112
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,113
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,114
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,115
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,116
type: atom chem shift
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1,27572,117
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1,27572,118
type: atom chem shift
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1,27572,119
type: atom chem shift
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1,27572,120
type: atom chem shift
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1,27572,121
type: atom chem shift
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1,27572,122
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1,27572,123
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1,27572,124
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1,27572,125
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1,27572,126
type: atom chem shift
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1,27572,127
type: atom chem shift
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1,27572,128
type: atom chem shift
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1,27572,129
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1,27572,130
type: atom chem shift
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1,27572,131
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1,27572,132
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1,27572,133
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1,27572,134
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 9.3
atom chem shift.val err: 0.03

1,27572,135
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.75
atom chem shift.val err: 0.25

1,27572,136
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 173.6
atom chem shift.val err: 0.3

1,27572,137
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 56.59
atom chem shift.val err: 0.3

1,27572,138
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 34.63
atom chem shift.val err: 0.3

1,27572,139
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 177
atom chem shift.val err: 0.3

1,27572,140
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
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atom chem shift.val: 120.8
atom chem shift.val err: 0.5

1,27572,141
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.36
atom chem shift.val err: 0.03

1,27572,142
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.2
atom chem shift.val err: 0.03

1,27572,143
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 176.9
atom chem shift.val err: 0.3

1,27572,144
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 52
atom chem shift.val err: 0.3

1,27572,145
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.3

1,27572,146
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 32.3
atom chem shift.val err: 0.3

1,27572,147
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.3

1,27572,148
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 111.85
atom chem shift.val err: 0.5

1,27572,149
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.33
atom chem shift.val err: 0.03

1,27572,150
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,151
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 176.6
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1,27572,152
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,153
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,154
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,155
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,156
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,157
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,158
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,159
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,160
type: atom chem shift
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1,27572,161
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,162
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,163
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,164
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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1,27572,165
type: atom chem shift
of datablock: info:bmrb/27572
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1,27572,166
type: atom chem shift
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1,27572,167
type: atom chem shift
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1,27572,168
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1,27572,169
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1,27572,170
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atom chem shift.auth seq id: 24
atom chem shift.comp id: ALA
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 126.1
atom chem shift.val err: 0.5

1,27572,171
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 171
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.auth comp id: ABU
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 9.05
atom chem shift.val err: 0.03

1,27572,172
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 172
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 4.76
atom chem shift.val err: 0.03

1,27572,173
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 173
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
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atom chem shift.auth comp id: ABU
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 176.7
atom chem shift.val err: 0.3

1,27572,174
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 174
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 63.5
atom chem shift.val err: 0.3

1,27572,175
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 175
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: CB
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atom chem shift.auth comp id: ABU
atom chem shift.auth seq id: 25
atom chem shift.comp id: ABU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 46.85
atom chem shift.val err: 0.3

1,27572,176
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 176
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: CG
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atom chem shift.comp id: ABU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 23.35
atom chem shift.val err: 0.3

1,27572,177
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 177
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
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atom chem shift.auth comp id: ABU
atom chem shift.auth seq id: 25
atom chem shift.comp id: ABU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 114.7
atom chem shift.val err: 0.5

1,27572,178
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 178
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 9
atom chem shift.val err: 0.03

1,27572,179
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 179
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atom chem shift.comp id: CYS
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 26
atom chem shift.val: 5.32
atom chem shift.val err: 0.03

1,27572,180
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 180
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.auth comp id: ALAS
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 26
atom chem shift.val: 173.9
atom chem shift.val err: 0.3

1,27572,181
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 181
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 26
atom chem shift.val: 59.7
atom chem shift.val err: 0.3

1,27572,182
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 182
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
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atom chem shift.auth comp id: ALAS
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 26
atom chem shift.val: 41.5
atom chem shift.val err: 0.3

1,27572,183
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 183
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
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atom chem shift.auth comp id: ALAS
atom chem shift.auth seq id: 26
atom chem shift.comp id: CYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 123.6
atom chem shift.val err: 0.5

1,27572,184
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 27
atom chem shift.val: 8
atom chem shift.val err: 0.03

1,27572,185
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 27
atom chem shift.val: 5.25
atom chem shift.val err: 0.03

1,27572,186
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 175.1
atom chem shift.val err: 0.3

1,27572,187
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 50.73
atom chem shift.val err: 0.3

1,27572,188
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 38.5
atom chem shift.val err: 0.3

1,27572,189
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 178.4
atom chem shift.val err: 0.3

1,27572,190
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASN
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 115.6
atom chem shift.val err: 0.5

1,27572,191
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 27
atom chem shift.val: 113.3
atom chem shift.val err: 0.5

1,27572,192
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.comp id: CYS
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atom chem shift.val: 6.55
atom chem shift.val err: 0.03

1,27572,193
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.comp id: CYS
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atom chem shift.val: 4.75
atom chem shift.val err: 0.25

1,27572,194
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: CYS
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atom chem shift.val: 173
atom chem shift.val err: 0.3

1,27572,195
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 55.95
atom chem shift.val err: 0.3

1,27572,196
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.comp id: CYS
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atom chem shift.val: 42.42
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1,27572,197
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 118.2
atom chem shift.val err: 0.5

1,27572,198
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.78
atom chem shift.val err: 0.03

1,27572,199
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 4.75
atom chem shift.val err: 0.25

1,27572,200
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 172.8
atom chem shift.val err: 0.3

1,27572,201
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.val: 56.1
atom chem shift.val err: 0.3

1,27572,202
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: SER
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atom chem shift.val: 64.95
atom chem shift.val err: 0.3

1,27572,203
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
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atom chem shift.comp id: SER
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atom chem shift.val: 114.4
atom chem shift.val err: 0.5

1,27572,204
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ILE
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atom chem shift.val: 9.3
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1,27572,205
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 174.2
atom chem shift.val err: 0.3

1,27572,206
type: atom chem shift
of datablock: info:bmrb/27572
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 59.4
atom chem shift.val err: 0.3

1,27572,207
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 207
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 30
atom chem shift.comp id: ILE
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 38.2
atom chem shift.val err: 0.3

1,27572,208
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 208
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 30
atom chem shift.comp id: ILE
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 27.78
atom chem shift.val err: 0.3

1,27572,209
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 209
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.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 30
atom chem shift.comp id: ILE
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 17.68
atom chem shift.val err: 0.3

1,27572,210
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 210
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 30
atom chem shift.comp id: ILE
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 17.68
atom chem shift.val err: 0.3

1,27572,211
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 211
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 30
atom chem shift.comp id: ILE
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 124.5
atom chem shift.val err: 0.5

1,27572,212
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 212
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.auth atom id: H
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 9.1
atom chem shift.val err: 0.03

1,27572,213
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 213
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.auth atom id: C
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 174.4
atom chem shift.val err: 0.3

1,27572,214
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 214
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.auth atom id: CA
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 54.72
atom chem shift.val err: 0.3

1,27572,215
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 215
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.auth atom id: CB
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 30.79
atom chem shift.val err: 0.3

1,27572,216
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 216
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 129.9
atom chem shift.val err: 0.3

1,27572,217
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 217
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD2
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 115.9
atom chem shift.val err: 0.3

1,27572,218
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 218
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CE1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CE1
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 137.5
atom chem shift.val err: 0.3

1,27572,219
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 219
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.auth atom id: N
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 31
atom chem shift.comp id: HIS
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 126.4
atom chem shift.val err: 0.5

1,27572,220
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 220
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.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 8.37
atom chem shift.val err: 0.03

1,27572,221
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 221
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 60.89
atom chem shift.val err: 0.7

1,27572,222
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 222
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.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 33.3
atom chem shift.val err: 0.3

1,27572,223
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 223
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 20.3
atom chem shift.val err: 0.3

1,27572,224
type: atom chem shift
of datablock: info:bmrb/27572
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27572
atom chem shift.id: 224
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.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 111.8
atom chem shift.val err: 0.5

27572,DBU
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: DBU
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C4 H7 N O2
chem comp.formula weight: 101.104
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates missing flag: yes
chem comp.modified date: 2012-11-19Z
chem comp.mon nstd parent comp id: THR
chem comp.name: (2Z)-2-AMINOBUT-2-ENOIC ACID
chem comp.number atoms all: 14
chem comp.number atoms nh: 7
chem comp.one letter code: T
chem comp.pdb code: DBU
chem comp.processing site: EBI
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DBU
chem comp.synonyms: Z-DEHYDROBUTYRINE
chem comp.three letter code: DBU
chem comp.type: PEPTIDE LINKING

info:pdb-ccd/DBU

urn:miriam:pdb-ccd:DBU

info:pdb.ligand/DBU

urn:miriam:pdb.ligand:DBU

27572,DAL
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: DAL
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C3 H7 N O2
chem comp.formula weight: 89.093
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: D-ALANINE
chem comp.number atoms all: 13
chem comp.number atoms nh: 6
chem comp.one letter code: A
chem comp.pdb code: DAL
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DAL
chem comp.three letter code: DAL
chem comp.type: D-PEPTIDE LINKING

info:pdb-ccd/DAL

urn:miriam:pdb-ccd:DAL

info:pdb.ligand/DAL

urn:miriam:pdb.ligand:DAL

27572,DHA
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: DHA
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C3 H5 N O2
chem comp.formula weight: 87.077
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates db code: 1QOW
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.mon nstd parent comp id: SER
chem comp.name: 2-AMINO-ACRYLIC ACID
chem comp.number atoms all: 11
chem comp.number atoms nh: 6
chem comp.one letter code: S
chem comp.pdb code: DHA
chem comp.processing site: EBI
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DHA
chem comp.synonyms: 2,3-DIDEHYDROALANINE
chem comp.three letter code: DHA
chem comp.type: PEPTIDE LINKING

info:pdb-ccd/DHA

urn:miriam:pdb-ccd:DHA

info:pdb.ligand/DHA

urn:miriam:pdb.ligand:DHA

27572,ABU
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: ABU
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C4 H9 N O2
chem comp.formula weight: 103.120
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates db code: 1QUR
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: GAMMA-AMINO-BUTANOIC ACID
chem comp.number atoms all: 16
chem comp.number atoms nh: 7
chem comp.pdb code: ABU
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_ABU
chem comp.synonyms: GAMMA(AMINO)-BUTYRIC ACID
chem comp.three letter code: ABU
chem comp.type: NON-POLYMER

info:pdb-ccd/ABU

urn:miriam:pdb-ccd:ABU

info:pdb.ligand/ABU

urn:miriam:pdb.ligand:ABU

27572,DBB
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: DBB
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C4 H9 N O2
chem comp.formula weight: 103.120
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
chem comp.initial date: 2015-02-18Z
chem comp.model coordinates db code: 1AJ1
chem comp.model coordinates missing flag: no
chem comp.modified date: 2015-02-18Z
chem comp.name: D-ALPHA-AMINOBUTYRIC ACID
chem comp.number atoms all: 16
chem comp.number atoms nh: 7
chem comp.one letter code: T
chem comp.pdb code: DBB
chem comp.processing site: EBI
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.replaces: AA3
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DBB
chem comp.three letter code: DBB
chem comp.type: D-PEPTIDE LINKING

info:pdb-ccd/DBB

urn:miriam:pdb-ccd:DBB

info:pdb.ligand/DBB

urn:miriam:pdb.ligand:DBB

27572,NAG
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: NAG
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C8 H15 N O6
chem comp.formula weight: 221.208
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
chem comp.initial date: 2014-04-01Z
chem comp.model coordinates db code: 8PCH
chem comp.model coordinates missing flag: no
chem comp.modified date: 2014-04-01Z
chem comp.name: N-ACETYL-D-GLUCOSAMINE
chem comp.number atoms all: 30
chem comp.number atoms nh: 15
chem comp.pdb code: NAG
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_NAG
chem comp.three letter code: NAG
chem comp.type: D-SACCHARIDE

info:pdb-ccd/NAG

urn:miriam:pdb-ccd:NAG

info:pdb.ligand/NAG

urn:miriam:pdb.ligand:NAG

27572,MUB
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: MUB
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C11 H19 N O8
chem comp.formula weight: 293.270
chem comp.ideal coordinates details: OpenEye/OEToolkits V1.4.2
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: N-ACETYLMURAMIC ACID
chem comp.number atoms all: 39
chem comp.number atoms nh: 20
chem comp.pdb code: MUB
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_MUB
chem comp.three letter code: MUB
chem comp.type: NON-POLYMER

info:pdb-ccd/MUB

urn:miriam:pdb-ccd:MUB

info:pdb.ligand/MUB

urn:miriam:pdb.ligand:MUB

27572,FGA
type: chem comp
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp.entry id: 27572
chem comp.id: FGA
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: C5 H9 N O4
chem comp.formula weight: 147.129
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: GAMMA-D-GLUTAMIC ACID
chem comp.number atoms all: 19
chem comp.number atoms nh: 10
chem comp.one letter code: E
chem comp.pdb code: FGA
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_FGA
chem comp.synonyms: D-GLUTAMIC ACID
chem comp.three letter code: FGA
chem comp.type: D-GAMMA-PEPTIDE, C-DELTA LINKING

info:pdb-ccd/FGA

urn:miriam:pdb-ccd:FGA

info:pdb.ligand/FGA

urn:miriam:pdb.ligand:FGA

N,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.370
chem comp atom.model cartn x ideal: 0.897
chem comp atom.model cartn y: 21.917
chem comp atom.model cartn y ideal: 2.171
chem comp atom.model cartn z: 6.620
chem comp atom.model cartn z ideal: -1.353
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CA
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.171
chem comp atom.model cartn x ideal: 2.034
chem comp atom.model cartn y: 23.187
chem comp atom.model cartn y ideal: 1.474
chem comp atom.model cartn z: 6.670
chem comp atom.model cartn z ideal: -1.063
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CB,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CB
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.511
chem comp atom.model cartn x ideal: 2.118
chem comp atom.model cartn y: 24.230
chem comp atom.model cartn y ideal: 0.311
chem comp atom.model cartn z: 6.180
chem comp atom.model cartn z ideal: -0.392
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CG,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CG
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CG
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CG
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.866
chem comp atom.model cartn x ideal: 0.973
chem comp atom.model cartn y: 23.988
chem comp atom.model cartn y ideal: -0.465
chem comp atom.model cartn z: 5.602
chem comp atom.model cartn z ideal: 0.179
chem comp atom.pdb atom id: CG
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.563
chem comp atom.model cartn x ideal: 3.331
chem comp atom.model cartn y: 23.412
chem comp atom.model cartn y ideal: 2.048
chem comp atom.model cartn z: 7.240
chem comp atom.model cartn z ideal: -1.531
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.783
chem comp atom.model cartn x ideal: 4.435
chem comp atom.model cartn y: 24.276
chem comp atom.model cartn y ideal: 1.555
chem comp atom.model cartn z: 8.088
chem comp atom.model cartn z ideal: -1.357
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OXT
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x ideal: 3.131
chem comp atom.model cartn y ideal: 3.215
chem comp atom.model cartn z ideal: -2.192
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.149
chem comp atom.model cartn x ideal: 0.983
chem comp atom.model cartn y: 21.123
chem comp atom.model cartn y ideal: 3.094
chem comp atom.model cartn z: 6.993
chem comp atom.model cartn z ideal: -1.718
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H2
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 1.286
chem comp atom.model cartn x ideal: 0.016
chem comp atom.model cartn y: 21.940
chem comp atom.model cartn y ideal: 1.735
chem comp atom.model cartn z: 7.067
chem comp atom.model cartn z ideal: -1.190
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 1HB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.022
chem comp atom.model cartn x ideal: 3.088
chem comp atom.model cartn y: 25.142
chem comp atom.model cartn y ideal: -0.152
chem comp atom.model cartn z: 5.956
chem comp atom.model cartn z ideal: -0.221
chem comp atom.pdb atom id: HB
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG1,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG1
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 1HG
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.615
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 24.111
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: 6.366
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: HG1
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG2,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG2
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 2HG
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.041
chem comp atom.model cartn x ideal: 1.102
chem comp atom.model cartn y: 24.695
chem comp atom.model cartn y ideal: -0.569
chem comp atom.model cartn z: 4.802
chem comp atom.model cartn z ideal: 1.261
chem comp atom.pdb atom id: HG2
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG3,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG3
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 3HG
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.922
chem comp atom.model cartn x ideal: 0.952
chem comp atom.model cartn y: 22.983
chem comp atom.model cartn y ideal: -1.467
chem comp atom.model cartn z: 5.214
chem comp atom.model cartn z ideal: -0.260
chem comp atom.pdb atom id: HG3
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,DBU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HXT
chem comp atom.comp id: DBU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x ideal: 3.973
chem comp atom.model cartn y ideal: 3.607
chem comp atom.model cartn z ideal: -2.507
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

N,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.005
chem comp atom.model cartn x ideal: -1.564
chem comp atom.model cartn y: 31.325
chem comp atom.model cartn y ideal: -0.992
chem comp atom.model cartn z: 27.552
chem comp atom.model cartn z ideal: 0.101
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CA
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.495
chem comp atom.model cartn x ideal: -0.724
chem comp atom.model cartn y: 30.650
chem comp atom.model cartn y ideal: 0.176
chem comp atom.model cartn z: 26.346
chem comp atom.model cartn z ideal: 0.402
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

CB,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CB
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.859
chem comp atom.model cartn x ideal: -1.205
chem comp atom.model cartn y: 31.287
chem comp atom.model cartn y ideal: 1.374
chem comp atom.model cartn z: 25.124
chem comp atom.model cartn z ideal: -0.420
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.165
chem comp atom.model cartn x ideal: 0.709
chem comp atom.model cartn y: 29.151
chem comp atom.model cartn y ideal: -0.132
chem comp atom.model cartn z: 26.377
chem comp atom.model cartn z ideal: 0.051
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.244
chem comp atom.model cartn x ideal: 1.001
chem comp atom.model cartn y: 28.758
chem comp atom.model cartn y ideal: -1.213
chem comp atom.model cartn z: 27.139
chem comp atom.model cartn z ideal: -0.403
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OXT
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 17.840
chem comp atom.model cartn x ideal: 1.660
chem comp atom.model cartn y: 28.394
chem comp atom.model cartn y ideal: 0.795
chem comp atom.model cartn z: 25.631
chem comp atom.model cartn z ideal: 0.243
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.893
chem comp atom.model cartn x ideal: -1.281
chem comp atom.model cartn y: 30.656
chem comp atom.model cartn y ideal: -1.723
chem comp atom.model cartn z: 28.287
chem comp atom.model cartn z ideal: 0.736
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H2
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HN2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 17.663
chem comp atom.model cartn x ideal: -2.509
chem comp atom.model cartn y: 32.023
chem comp atom.model cartn y ideal: -0.741
chem comp atom.model cartn z: 27.834
chem comp atom.model cartn z ideal: 0.351
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HA
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.589
chem comp atom.model cartn x ideal: -0.796
chem comp atom.model cartn y: 30.759
chem comp atom.model cartn y ideal: 0.411
chem comp atom.model cartn z: 26.304
chem comp atom.model cartn z ideal: 1.464
chem comp atom.pdb atom id: HA
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB1,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB1
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 1HB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.705
chem comp atom.model cartn x ideal: -1.133
chem comp atom.model cartn y: 32.361
chem comp atom.model cartn y ideal: 1.139
chem comp atom.model cartn z: 25.308
chem comp atom.model cartn z ideal: -1.481
chem comp atom.pdb atom id: HB1
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB2
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 2HB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.521
chem comp atom.model cartn x ideal: -2.241
chem comp atom.model cartn y: 31.155
chem comp atom.model cartn y ideal: 1.597
chem comp atom.model cartn z: 24.255
chem comp atom.model cartn z ideal: -0.166
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB3,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB3
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 3HB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.890
chem comp atom.model cartn x ideal: -0.582
chem comp atom.model cartn y: 30.807
chem comp atom.model cartn y ideal: 2.240
chem comp atom.model cartn z: 24.923
chem comp atom.model cartn z ideal: -0.197
chem comp atom.pdb atom id: HB3
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,DAL,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HXT
chem comp atom.comp id: DAL
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 17.544
chem comp atom.model cartn x ideal: 2.580
chem comp atom.model cartn y: 27.498
chem comp atom.model cartn y ideal: 0.598
chem comp atom.model cartn z: 25.738
chem comp atom.model cartn z ideal: 0.018
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

N,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.504
chem comp atom.model cartn x ideal: 1.445
chem comp atom.model cartn y: 23.198
chem comp atom.model cartn y ideal: 1.171
chem comp atom.model cartn z: 10.351
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CA
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.122
chem comp atom.model cartn x ideal: 0.770
chem comp atom.model cartn y: 22.797
chem comp atom.model cartn y ideal: -0.054
chem comp atom.model cartn z: 10.461
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CB,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CB
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.445
chem comp atom.model cartn x ideal: 1.460
chem comp atom.model cartn y: 23.018
chem comp atom.model cartn y ideal: -1.198
chem comp atom.model cartn z: 11.583
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.491
chem comp atom.model cartn x ideal: -0.705
chem comp atom.model cartn y: 22.241
chem comp atom.model cartn y ideal: -0.084
chem comp atom.model cartn z: 9.286
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.547
chem comp atom.model cartn x ideal: -1.291
chem comp atom.model cartn y: 21.440
chem comp atom.model cartn y ideal: -1.148
chem comp atom.model cartn z: 9.411
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OXT
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 5.923
chem comp atom.model cartn x ideal: -1.401
chem comp atom.model cartn y: 22.587
chem comp atom.model cartn y ideal: 1.070
chem comp atom.model cartn z: 8.049
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HN1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.749
chem comp atom.model cartn x ideal: 2.415
chem comp atom.model cartn y: 23.291
chem comp atom.model cartn y ideal: 1.190
chem comp atom.model cartn z: 9.386
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H2
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HN2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 7.634
chem comp atom.model cartn x ideal: 0.944
chem comp atom.model cartn y: 24.075
chem comp atom.model cartn y ideal: 2.001
chem comp atom.model cartn z: 10.814
chem comp atom.model cartn z ideal: -0.004
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB1,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB1
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.436
chem comp atom.model cartn x ideal: 2.540
chem comp atom.model cartn y: 22.649
chem comp atom.model cartn y ideal: -1.177
chem comp atom.model cartn z: 11.469
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: HB1
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB2
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.841
chem comp atom.model cartn x ideal: 0.939
chem comp atom.model cartn y: 23.492
chem comp atom.model cartn y ideal: -2.144
chem comp atom.model cartn z: 12.469
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,DHA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HXT
chem comp atom.comp id: DHA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 5.405
chem comp atom.model cartn x ideal: -2.366
chem comp atom.model cartn y: 22.135
chem comp atom.model cartn y ideal: 1.000
chem comp atom.model cartn z: 7.394
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

N,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.246
chem comp atom.model cartn x ideal: 3.318
chem comp atom.model cartn y: -18.712
chem comp atom.model cartn y ideal: 0.347
chem comp atom.model cartn z: 19.165
chem comp atom.model cartn z ideal: -0.032
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CA
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.063
chem comp atom.model cartn x ideal: 2.177
chem comp atom.model cartn y: -19.105
chem comp atom.model cartn y ideal: -0.578
chem comp atom.model cartn z: 18.351
chem comp atom.model cartn z ideal: -0.010
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CB,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CB
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.695
chem comp atom.model cartn x ideal: 0.872
chem comp atom.model cartn y: -20.569
chem comp atom.model cartn y ideal: 0.221
chem comp atom.model cartn z: 18.523
chem comp atom.model cartn z ideal: -0.016
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CG,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CG
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CG
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CG
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.628
chem comp atom.model cartn x ideal: -0.316
chem comp atom.model cartn y: -21.063
chem comp atom.model cartn y ideal: -0.743
chem comp atom.model cartn z: 17.545
chem comp atom.model cartn z ideal: 0.006
chem comp atom.pdb atom id: CG
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CD,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CD
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.230
chem comp atom.model cartn x ideal: -1.601
chem comp atom.model cartn y: -21.255
chem comp atom.model cartn y ideal: 0.044
chem comp atom.model cartn z: 16.152
chem comp atom.model cartn z ideal: 0.001
chem comp atom.pdb atom id: CD
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

OE1,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OE1
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OE1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OE1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.260
chem comp atom.model cartn x ideal: -1.570
chem comp atom.model cartn y: -21.917
chem comp atom.model cartn y ideal: 1.252
chem comp atom.model cartn z: 15.994
chem comp atom.model cartn z ideal: -0.019
chem comp atom.pdb atom id: OE1
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OE2,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OE2
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OE2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OE2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 10.626
chem comp atom.model cartn x ideal: -2.780
chem comp atom.model cartn y: -20.688
chem comp atom.model cartn y ideal: -0.596
chem comp atom.model cartn z: 15.093
chem comp atom.model cartn z ideal: 0.018
chem comp atom.pdb atom id: OE2
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.446
chem comp atom.model cartn x ideal: 3.272
chem comp atom.model cartn y: -17.744
chem comp atom.model cartn y ideal: 0.997
chem comp atom.model cartn z: 19.017
chem comp atom.model cartn z ideal: 0.739
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN2,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HN2
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HN2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 13.051
chem comp atom.model cartn x ideal: 4.192
chem comp atom.model cartn y: -18.868
chem comp atom.model cartn y ideal: -0.156
chem comp atom.model cartn z: 20.133
chem comp atom.model cartn z ideal: -0.028
chem comp atom.pdb atom id: HN2
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA1,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HA1
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HA1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HA1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.206
chem comp atom.model cartn x ideal: 2.214
chem comp atom.model cartn y: -18.492
chem comp atom.model cartn y ideal: -1.220
chem comp atom.model cartn z: 18.665
chem comp atom.model cartn z ideal: -0.890
chem comp atom.pdb atom id: HA1
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA2,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HA2
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HA2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HA2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.296
chem comp atom.model cartn x ideal: 2.224
chem comp atom.model cartn y: -18.927
chem comp atom.model cartn y ideal: -1.191
chem comp atom.model cartn z: 17.291
chem comp atom.model cartn z ideal: 0.890
chem comp atom.pdb atom id: HA2
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB1,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB1
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.604
chem comp atom.model cartn x ideal: 0.836
chem comp atom.model cartn y: -21.168
chem comp atom.model cartn y ideal: 0.863
chem comp atom.model cartn z: 18.365
chem comp atom.model cartn z ideal: 0.864
chem comp atom.pdb atom id: HB1
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB2
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.308
chem comp atom.model cartn x ideal: 0.826
chem comp atom.model cartn y: -20.704
chem comp atom.model cartn y ideal: 0.834
chem comp atom.model cartn z: 19.544
chem comp atom.model cartn z ideal: -0.916
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG1,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG1
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HG1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.229
chem comp atom.model cartn x ideal: -0.279
chem comp atom.model cartn y: -22.024
chem comp atom.model cartn y ideal: -1.385
chem comp atom.model cartn z: 17.901
chem comp atom.model cartn z ideal: -0.874
chem comp atom.pdb atom id: HG1
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG2,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG2
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HG2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 9.818
chem comp atom.model cartn x ideal: -0.269
chem comp atom.model cartn y: -20.321
chem comp atom.model cartn y ideal: -1.356
chem comp atom.model cartn z: 17.489
chem comp atom.model cartn z ideal: 0.906
chem comp atom.pdb atom id: HG2
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HE2,ABU,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HE2
chem comp atom.comp id: ABU
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HE2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HE2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 11.114
chem comp atom.model cartn x ideal: -3.578
chem comp atom.model cartn y: -20.891
chem comp atom.model cartn y ideal: -0.049
chem comp atom.model cartn z: 14.304
chem comp atom.model cartn z ideal: 0.013
chem comp atom.pdb atom id: HE2
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

N,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.509
chem comp atom.model cartn x ideal: 0.634
chem comp atom.model cartn y: -3.571
chem comp atom.model cartn y ideal: 1.556
chem comp atom.model cartn z: 0.056
chem comp atom.model cartn z ideal: 0.369
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CA
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.376
chem comp atom.model cartn x ideal: 0.310
chem comp atom.model cartn y: -4.454
chem comp atom.model cartn y ideal: 0.125
chem comp atom.model cartn z: 0.879
chem comp atom.model cartn z ideal: 0.428
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.688
chem comp atom.model cartn x ideal: -1.126
chem comp atom.model cartn y: -4.993
chem comp atom.model cartn y ideal: -0.083
chem comp atom.model cartn z: 0.220
chem comp atom.model cartn z ideal: 0.022
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.618
chem comp atom.model cartn x ideal: -1.702
chem comp atom.model cartn y: -5.345
chem comp atom.model cartn y ideal: 0.765
chem comp atom.model cartn z: 0.954
chem comp atom.model cartn z ideal: -0.617
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CB,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CB
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.654
chem comp atom.model cartn x ideal: 1.226
chem comp atom.model cartn y: -3.558
chem comp atom.model cartn y ideal: -0.645
chem comp atom.model cartn z: 2.132
chem comp atom.model cartn z ideal: -0.525
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CG,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CG
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CG
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CG
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.409
chem comp atom.model cartn x ideal: 2.674
chem comp atom.model cartn y: -3.428
chem comp atom.model cartn y ideal: -0.536
chem comp atom.model cartn z: 3.048
chem comp atom.model cartn z ideal: -0.041
chem comp atom.pdb atom id: CG
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

OXT,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OXT
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 2.768
chem comp atom.model cartn x ideal: -1.766
chem comp atom.model cartn y: -5.110
chem comp atom.model cartn y ideal: -1.210
chem comp atom.model cartn z: -1.124
chem comp atom.model cartn z ideal: 0.371
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.291
chem comp atom.model cartn x ideal: 0.506
chem comp atom.model cartn y: -3.297
chem comp atom.model cartn y ideal: 1.918
chem comp atom.model cartn z: 0.590
chem comp atom.model cartn z ideal: -0.564
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H1,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H1
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.023
chem comp atom.model cartn x ideal: 0.087
chem comp atom.model cartn y: -2.757
chem comp atom.model cartn y ideal: 2.079
chem comp atom.model cartn z: -0.214
chem comp atom.model cartn z ideal: 1.037
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HA
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.785
chem comp atom.model cartn x ideal: 0.456
chem comp atom.model cartn y: -5.321
chem comp atom.model cartn y ideal: -0.239
chem comp atom.model cartn z: 1.210
chem comp atom.model cartn z ideal: 1.445
chem comp atom.pdb atom id: HA
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB2
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.475
chem comp atom.model cartn x ideal: 0.928
chem comp atom.model cartn y: -4.005
chem comp atom.model cartn y ideal: -1.693
chem comp atom.model cartn z: 2.712
chem comp atom.model cartn z ideal: -0.548
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB3,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB3
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.949
chem comp atom.model cartn x ideal: 1.146
chem comp atom.model cartn y: -2.555
chem comp atom.model cartn y ideal: -0.222
chem comp atom.model cartn z: 1.791
chem comp atom.model cartn z ideal: -1.527
chem comp atom.pdb atom id: HB3
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG1,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG1
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HG1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.653
chem comp atom.model cartn x ideal: 2.971
chem comp atom.model cartn y: -2.792
chem comp atom.model cartn y ideal: 0.512
chem comp atom.model cartn z: 3.911
chem comp atom.model cartn z ideal: -0.018
chem comp atom.pdb atom id: HG1
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG2,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG2
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HG2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.418
chem comp atom.model cartn x ideal: 2.754
chem comp atom.model cartn y: -2.975
chem comp atom.model cartn y ideal: -0.959
chem comp atom.model cartn z: 2.481
chem comp atom.model cartn z ideal: 0.961
chem comp atom.pdb atom id: HG2
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG3,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG3
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HG3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.108
chem comp atom.model cartn x ideal: 3.326
chem comp atom.model cartn y: -4.425
chem comp atom.model cartn y ideal: -1.085
chem comp atom.model cartn z: 3.401
chem comp atom.model cartn z ideal: -0.720
chem comp atom.pdb atom id: HG3
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,DBB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HXT
chem comp atom.comp id: DBB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 3.609
chem comp atom.model cartn x ideal: -2.686
chem comp atom.model cartn y: -5.484
chem comp atom.model cartn y ideal: -1.298
chem comp atom.model cartn z: -1.360
chem comp atom.model cartn z ideal: 0.088
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C1,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C1
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.396
chem comp atom.model cartn x ideal: 0.185
chem comp atom.model cartn y: 28.163
chem comp atom.model cartn y ideal: 1.082
chem comp atom.model cartn z: 26.662
chem comp atom.model cartn z ideal: -0.421
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C2,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C2
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.973
chem comp atom.model cartn x ideal: 0.790
chem comp atom.model cartn y: 29.233
chem comp atom.model cartn y ideal: -0.220
chem comp atom.model cartn z: 27.644
chem comp atom.model cartn z ideal: 0.112
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C3,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C3
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.667
chem comp atom.model cartn x ideal: -0.124
chem comp atom.model cartn y: 29.055
chem comp atom.model cartn y ideal: -1.390
chem comp atom.model cartn z: 29.000
chem comp atom.model cartn z ideal: -0.265
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C4,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C4
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.573
chem comp atom.model cartn x ideal: -1.526
chem comp atom.model cartn y: 27.588
chem comp atom.model cartn y ideal: -1.129
chem comp atom.model cartn z: 29.490
chem comp atom.model cartn z ideal: 0.294
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C5,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C5
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C5
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.902
chem comp atom.model cartn x ideal: -2.042
chem comp atom.model cartn y: 26.592
chem comp atom.model cartn y ideal: 0.207
chem comp atom.model cartn z: 28.373
chem comp atom.model cartn z ideal: -0.246
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C6,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C6
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.599
chem comp atom.model cartn x ideal: -3.417
chem comp atom.model cartn y: 25.173
chem comp atom.model cartn y ideal: 0.504
chem comp atom.model cartn z: 28.797
chem comp atom.model cartn z ideal: 0.355
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C7,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C7
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C7
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.291
chem comp atom.model cartn x ideal: 3.197
chem comp atom.model cartn y: 31.299
chem comp atom.model cartn y ideal: 0.157
chem comp atom.model cartn z: 26.595
chem comp atom.model cartn z ideal: 0.076
chem comp atom.pdb atom id: C7
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C8
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.684
chem comp atom.model cartn x ideal: 4.559
chem comp atom.model cartn y: 32.649
chem comp atom.model cartn y ideal: -0.052
chem comp atom.model cartn z: 26.036
chem comp atom.model cartn z ideal: -0.533
chem comp atom.pdb atom id: C8
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N2,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N2
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.268
chem comp atom.model cartn x ideal: 2.114
chem comp atom.model cartn y: 30.545
chem comp atom.model cartn y ideal: -0.422
chem comp atom.model cartn z: 27.089
chem comp atom.model cartn z ideal: -0.480
chem comp atom.pdb atom id: N2
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: N

O1,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O1
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 6.676
chem comp atom.model cartn x ideal: 1.003
chem comp atom.model cartn y: 28.363
chem comp atom.model cartn y ideal: 2.185
chem comp atom.model cartn z: 25.419
chem comp atom.model cartn z ideal: -0.024
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O3
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 7.038
chem comp atom.model cartn x ideal: 0.395
chem comp atom.model cartn y: 29.909
chem comp atom.model cartn y ideal: -2.600
chem comp atom.model cartn z: 29.947
chem comp atom.model cartn z ideal: 0.291
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O4,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O4
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.494
chem comp atom.model cartn x ideal: -2.405
chem comp atom.model cartn y: 27.358
chem comp atom.model cartn y ideal: -2.180
chem comp atom.model cartn z: 30.574
chem comp atom.model cartn z ideal: -0.114
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O5,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O5
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O5
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.104
chem comp atom.model cartn x ideal: -1.130
chem comp atom.model cartn y: 26.875
chem comp atom.model cartn y ideal: 1.248
chem comp atom.model cartn z: 27.206
chem comp atom.model cartn z ideal: 0.113
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O6,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O6
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.232
chem comp atom.model cartn x ideal: -3.949
chem comp atom.model cartn y: 25.040
chem comp atom.model cartn y ideal: 1.691
chem comp atom.model cartn z: 29.165
chem comp atom.model cartn z ideal: -0.236
chem comp atom.pdb atom id: O6
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O7,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O7
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O7
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.114
chem comp atom.model cartn x ideal: 3.074
chem comp atom.model cartn y: 30.936
chem comp atom.model cartn y ideal: 0.845
chem comp atom.model cartn z: 26.562
chem comp atom.model cartn z ideal: 1.067
chem comp atom.pdb atom id: O7
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H1,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H1
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.477
chem comp atom.model cartn x ideal: 0.133
chem comp atom.model cartn y: 28.257
chem comp atom.model cartn y ideal: 1.040
chem comp atom.model cartn z: 26.481
chem comp atom.model cartn z ideal: -1.509
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H2
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.888
chem comp atom.model cartn x ideal: 0.879
chem comp atom.model cartn y: 29.146
chem comp atom.model cartn y ideal: -0.163
chem comp atom.model cartn z: 27.803
chem comp atom.model cartn z ideal: 1.197
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H3
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.729
chem comp atom.model cartn x ideal: -0.174
chem comp atom.model cartn y: 29.321
chem comp atom.model cartn y ideal: -1.478
chem comp atom.model cartn z: 28.892
chem comp atom.model cartn z ideal: -1.350
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H4
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.544
chem comp atom.model cartn x ideal: -1.483
chem comp atom.model cartn y: 27.403
chem comp atom.model cartn y ideal: -1.091
chem comp atom.model cartn z: 29.831
chem comp atom.model cartn z ideal: 1.382
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H5
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H5
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.971
chem comp atom.model cartn x ideal: -2.123
chem comp atom.model cartn y: 26.674
chem comp atom.model cartn y ideal: 0.154
chem comp atom.model cartn z: 28.128
chem comp atom.model cartn z ideal: -1.332
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H61
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H61
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H61
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.816
chem comp atom.model cartn x ideal: -4.088
chem comp atom.model cartn y: 24.492
chem comp atom.model cartn y ideal: -0.333
chem comp atom.model cartn z: 27.961
chem comp atom.model cartn z ideal: 0.157
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H62
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H62
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H62
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.232
chem comp atom.model cartn x ideal: -3.320
chem comp atom.model cartn y: 24.910
chem comp atom.model cartn y ideal: 0.645
chem comp atom.model cartn z: 29.657
chem comp atom.model cartn z ideal: 1.431
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H81,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H81
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H81
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H81
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.791
chem comp atom.model cartn x ideal: 4.560
chem comp atom.model cartn y: 33.159
chem comp atom.model cartn y ideal: 0.320
chem comp atom.model cartn z: 25.646
chem comp atom.model cartn z ideal: -1.558
chem comp atom.pdb atom id: H81
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H82,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H82
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H82
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H82
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.136
chem comp atom.model cartn x ideal: 5.305
chem comp atom.model cartn y: 33.258
chem comp atom.model cartn y ideal: 0.490
chem comp atom.model cartn z: 26.833
chem comp atom.model cartn z ideal: 0.050
chem comp atom.pdb atom id: H82
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H83,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H83
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H83
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H83
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.411
chem comp atom.model cartn x ideal: 4.799
chem comp atom.model cartn y: 32.511
chem comp atom.model cartn y ideal: -1.115
chem comp atom.model cartn z: 25.222
chem comp atom.model cartn z ideal: -0.532
chem comp atom.pdb atom id: H83
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN2,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HN2
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HN2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.210
chem comp atom.model cartn x ideal: 2.212
chem comp atom.model cartn y: 30.881
chem comp atom.model cartn y ideal: -0.973
chem comp atom.model cartn z: 27.079
chem comp atom.model cartn z ideal: -1.273
chem comp atom.pdb atom id: HN2
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO1,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HO1
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HO1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 6.933
chem comp atom.model cartn x ideal: 0.679
chem comp atom.model cartn y: 27.696
chem comp atom.model cartn y ideal: 3.044
chem comp atom.model cartn z: 24.793
chem comp atom.model cartn z ideal: -0.328
chem comp atom.pdb atom id: HO1
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HO3
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HO3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.459
chem comp atom.model cartn x ideal: -0.135
chem comp atom.model cartn y: 29.809
chem comp atom.model cartn y ideal: -3.384
chem comp atom.model cartn z: 30.793
chem comp atom.model cartn z ideal: 0.091
chem comp atom.pdb atom id: HO3
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO4,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HO4
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HO4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 8.425
chem comp atom.model cartn x ideal: -3.312
chem comp atom.model cartn y: 26.456
chem comp atom.model cartn y ideal: -2.079
chem comp atom.model cartn z: 30.863
chem comp atom.model cartn z ideal: 0.206
chem comp atom.pdb atom id: HO4
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO6,NAG,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HO6
chem comp atom.comp id: NAG
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HO6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.060
chem comp atom.model cartn x ideal: -4.822
chem comp atom.model cartn y: 24.143
chem comp atom.model cartn y ideal: 1.940
chem comp atom.model cartn z: 29.428
chem comp atom.model cartn z ideal: 0.099
chem comp atom.pdb atom id: HO6
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C1,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C1
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.744
chem comp atom.model cartn x ideal: 1.370
chem comp atom.model cartn y: 9.346
chem comp atom.model cartn y ideal: 2.611
chem comp atom.model cartn z: -2.817
chem comp atom.model cartn z ideal: 1.828
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C2,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C2
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.305
chem comp atom.model cartn x ideal: 1.297
chem comp atom.model cartn y: 10.579
chem comp atom.model cartn y ideal: 1.601
chem comp atom.model cartn z: -3.591
chem comp atom.model cartn z ideal: 0.676
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C3,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C3
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.257
chem comp atom.model cartn x ideal: 0.157
chem comp atom.model cartn y: 10.290
chem comp atom.model cartn y ideal: 0.600
chem comp atom.model cartn z: -5.081
chem comp atom.model cartn z ideal: 0.905
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C4,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C4
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.439
chem comp atom.model cartn x ideal: -1.154
chem comp atom.model cartn y: 8.944
chem comp atom.model cartn y ideal: 1.294
chem comp atom.model cartn z: -5.283
chem comp atom.model cartn z ideal: 1.291
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C5,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C5
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C5
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.371
chem comp atom.model cartn x ideal: -0.979
chem comp atom.model cartn y: 7.833
chem comp atom.model cartn y ideal: 2.416
chem comp atom.model cartn z: -4.636
chem comp atom.model cartn z ideal: 2.329
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C6,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C6
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.516
chem comp atom.model cartn x ideal: -0.872
chem comp atom.model cartn y: 6.858
chem comp atom.model cartn y ideal: 1.912
chem comp atom.model cartn z: -3.884
chem comp atom.model cartn z ideal: 3.767
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C7,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C7
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C7
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.258
chem comp atom.model cartn x ideal: 1.679
chem comp atom.model cartn y: 11.901
chem comp atom.model cartn y ideal: 1.779
chem comp atom.model cartn z: -4.031
chem comp atom.model cartn z ideal: -1.778
chem comp atom.pdb atom id: C7
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C8
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.084
chem comp atom.model cartn x ideal: 1.401
chem comp atom.model cartn y: 13.120
chem comp atom.model cartn y ideal: 2.630
chem comp atom.model cartn z: -3.691
chem comp atom.model cartn z ideal: -2.973
chem comp atom.pdb atom id: C8
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C9,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C9
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C9
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C9
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.631
chem comp atom.model cartn x ideal: -0.056
chem comp atom.model cartn y: 11.693
chem comp atom.model cartn y ideal: -1.583
chem comp atom.model cartn z: -4.967
chem comp atom.model cartn z ideal: 1.745
chem comp atom.pdb atom id: C9
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C10,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C10
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C10
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C10
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.932
chem comp atom.model cartn x ideal: 0.888
chem comp atom.model cartn y: 10.928
chem comp atom.model cartn y ideal: -2.408
chem comp atom.model cartn z: -5.153
chem comp atom.model cartn z ideal: 0.896
chem comp atom.pdb atom id: C10
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C11,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C11
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.694
chem comp atom.model cartn x ideal: -0.272
chem comp atom.model cartn y: 13.023
chem comp atom.model cartn y ideal: -2.220
chem comp atom.model cartn z: -4.221
chem comp atom.model cartn z ideal: 3.106
chem comp atom.pdb atom id: C11
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O1
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.711
chem comp atom.model cartn x ideal: 2.406
chem comp atom.model cartn y: 9.690
chem comp atom.model cartn y ideal: 3.552
chem comp atom.model cartn z: -1.887
chem comp atom.model cartn z ideal: 1.554
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O3
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.469
chem comp atom.model cartn x ideal: 0.523
chem comp atom.model cartn y: 11.347
chem comp atom.model cartn y ideal: -0.304
chem comp atom.model cartn z: -5.743
chem comp atom.model cartn z ideal: 1.947
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O4,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O4
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.651
chem comp atom.model cartn x ideal: -1.709
chem comp atom.model cartn y: 8.619
chem comp atom.model cartn y ideal: 1.864
chem comp atom.model cartn z: -6.670
chem comp atom.model cartn z ideal: 0.102
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O5,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O5
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O5
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.322
chem comp atom.model cartn x ideal: 0.119
chem comp atom.model cartn y: 8.373
chem comp atom.model cartn y ideal: 3.275
chem comp atom.model cartn z: -3.693
chem comp atom.model cartn z ideal: 1.999
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O6,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O6
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.222
chem comp atom.model cartn x ideal: -2.062
chem comp atom.model cartn y: 6.098
chem comp atom.model cartn y ideal: 1.217
chem comp atom.model cartn z: -2.935
chem comp atom.model cartn z ideal: 4.089
chem comp atom.pdb atom id: O6
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O7,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O7
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O7
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.763
chem comp atom.model cartn x ideal: 2.329
chem comp atom.model cartn y: 10.998
chem comp atom.model cartn y ideal: 0.748
chem comp atom.model cartn z: -4.697
chem comp atom.model cartn z ideal: -1.909
chem comp atom.pdb atom id: O7
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O11,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O11
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.086
chem comp atom.model cartn x ideal: 0.394
chem comp atom.model cartn y: 9.857
chem comp atom.model cartn y ideal: -3.645
chem comp atom.model cartn z: -4.396
chem comp atom.model cartn z ideal: 0.631
chem comp atom.pdb atom id: O11
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O10,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O10
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O10
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O10
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.844
chem comp atom.model cartn x ideal: 1.983
chem comp atom.model cartn y: 11.436
chem comp atom.model cartn y ideal: -2.029
chem comp atom.model cartn z: -5.804
chem comp atom.model cartn z ideal: 0.500
chem comp atom.pdb atom id: O10
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: O

N2,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N2
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.164
chem comp atom.model cartn x ideal: 1.148
chem comp atom.model cartn y: 11.712
chem comp atom.model cartn y ideal: 2.270
chem comp atom.model cartn z: -3.327
chem comp atom.model cartn z ideal: -0.600
chem comp atom.pdb atom id: N2
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: N

H1,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H1
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 1H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.134
chem comp atom.model cartn x ideal: 1.640
chem comp atom.model cartn y: 8.959
chem comp atom.model cartn y ideal: 2.111
chem comp atom.model cartn z: -2.289
chem comp atom.model cartn z ideal: 2.764
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H2
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 2H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.683
chem comp atom.model cartn x ideal: 2.256
chem comp atom.model cartn y: 10.860
chem comp atom.model cartn y ideal: 1.073
chem comp atom.model cartn z: -3.196
chem comp atom.model cartn z ideal: 0.614
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN2,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HN2
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 2HN
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.796
chem comp atom.model cartn x ideal: 0.627
chem comp atom.model cartn y: 12.463
chem comp atom.model cartn y ideal: 3.142
chem comp atom.model cartn z: -2.812
chem comp atom.model cartn z ideal: -0.630
chem comp atom.pdb atom id: HN2
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H81,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H81
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 1H8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H81
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.920
chem comp atom.model cartn x ideal: 2.323
chem comp atom.model cartn y: 13.186
chem comp atom.model cartn y ideal: 2.982
chem comp atom.model cartn z: -4.361
chem comp atom.model cartn z ideal: -3.463
chem comp atom.pdb atom id: H81
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H82,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H82
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 2H8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H82
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.454
chem comp atom.model cartn x ideal: 0.844
chem comp atom.model cartn y: 13.993
chem comp atom.model cartn y ideal: 2.089
chem comp atom.model cartn z: -3.787
chem comp atom.model cartn z ideal: -3.754
chem comp atom.pdb atom id: H82
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H83,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H83
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 3H8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H83
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.431
chem comp atom.model cartn x ideal: 0.812
chem comp atom.model cartn y: 13.035
chem comp atom.model cartn y ideal: 3.541
chem comp atom.model cartn z: -2.675
chem comp atom.model cartn z ideal: -2.776
chem comp atom.pdb atom id: H83
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H3
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 3H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.271
chem comp atom.model cartn x ideal: 0.008
chem comp atom.model cartn y: 10.215
chem comp atom.model cartn y ideal: -0.001
chem comp atom.model cartn z: -5.557
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H9,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H9
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 9H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H9
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.140
chem comp atom.model cartn x ideal: -1.004
chem comp atom.model cartn y: 10.966
chem comp atom.model cartn y ideal: -1.446
chem comp atom.model cartn z: -4.250
chem comp atom.model cartn z ideal: 1.214
chem comp atom.pdb atom id: H9
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H111,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H111
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 0
chem comp atom.alt atom id: 1H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H111
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.329
chem comp atom.model cartn x ideal: 0.300
chem comp atom.model cartn y: 13.821
chem comp atom.model cartn y ideal: -3.150
chem comp atom.model cartn z: -4.870
chem comp atom.model cartn z ideal: 3.198
chem comp atom.pdb atom id: H111
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H112,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H112
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 0
chem comp atom.alt atom id: 2H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H112
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.698
chem comp atom.model cartn x ideal: -1.327
chem comp atom.model cartn y: 13.222
chem comp atom.model cartn y ideal: -2.480
chem comp atom.model cartn z: -3.966
chem comp atom.model cartn z ideal: 3.245
chem comp atom.pdb atom id: H112
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H113,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H113
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 0
chem comp atom.alt atom id: 3H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H113
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.104
chem comp atom.model cartn x ideal: 0.032
chem comp atom.model cartn y: 12.949
chem comp atom.model cartn y ideal: -1.554
chem comp atom.model cartn z: -3.310
chem comp atom.model cartn z ideal: 3.920
chem comp atom.pdb atom id: H113
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4A,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H4A
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 4H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H4A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.417
chem comp atom.model cartn x ideal: -1.881
chem comp atom.model cartn y: 9.225
chem comp atom.model cartn y ideal: 0.562
chem comp atom.model cartn z: -4.828
chem comp atom.model cartn z ideal: 1.662
chem comp atom.pdb atom id: H4A
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H5
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 5H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.901
chem comp atom.model cartn x ideal: -1.866
chem comp atom.model cartn y: 7.247
chem comp atom.model cartn y ideal: 3.059
chem comp atom.model cartn z: -5.403
chem comp atom.model cartn z ideal: 2.290
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H61
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 1H6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H61
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.390
chem comp atom.model cartn x ideal: -0.750
chem comp atom.model cartn y: 7.316
chem comp atom.model cartn y ideal: 2.754
chem comp atom.model cartn z: -3.397
chem comp atom.model cartn z ideal: 4.447
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H62
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 2H6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H62
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.937
chem comp atom.model cartn x ideal: -0.023
chem comp atom.model cartn y: 6.230
chem comp atom.model cartn y ideal: 1.235
chem comp atom.model cartn z: -4.710
chem comp atom.model cartn z ideal: 3.861
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO6,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HO6
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: 6HO
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.679
chem comp atom.model cartn x ideal: -2.491
chem comp atom.model cartn y: 6.623
chem comp atom.model cartn y ideal: 1.705
chem comp atom.model cartn z: -2.264
chem comp atom.model cartn z ideal: 4.813
chem comp atom.pdb atom id: HO6
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H4
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.084
chem comp atom.model cartn x ideal: -1.965
chem comp atom.model cartn y: 7.782
chem comp atom.model cartn y ideal: 1.121
chem comp atom.model cartn z: -6.795
chem comp atom.model cartn z ideal: -0.466
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H1',MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H1'
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H1'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H1'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.899
chem comp atom.model cartn x ideal: 0.979
chem comp atom.model cartn y: 9.379
chem comp atom.model cartn y ideal: -4.221
chem comp atom.model cartn z: -4.512
chem comp atom.model cartn z ideal: 0.095
chem comp atom.pdb atom id: H1'
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO1,MUB,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HO1
chem comp atom.comp id: MUB
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HO1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.985
chem comp atom.model cartn x ideal: 3.054
chem comp atom.model cartn y: 8.920
chem comp atom.model cartn y ideal: 3.094
chem comp atom.model cartn z: -1.403
chem comp atom.model cartn z ideal: 0.997
chem comp atom.pdb atom id: HO1
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: H

N,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: N
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.813
chem comp atom.model cartn x ideal: -1.198
chem comp atom.model cartn y: -4.736
chem comp atom.model cartn y ideal: 1.861
chem comp atom.model cartn z: 28.474
chem comp atom.model cartn z ideal: -0.122
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CA
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.782
chem comp atom.model cartn x ideal: -1.130
chem comp atom.model cartn y: -5.702
chem comp atom.model cartn y ideal: 0.510
chem comp atom.model cartn z: 28.834
chem comp atom.model cartn z ideal: 0.451
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: C
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: C
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.875
chem comp atom.model cartn x ideal: -2.352
chem comp atom.model cartn y: -6.180
chem comp atom.model cartn y ideal: -0.272
chem comp atom.model cartn z: 30.276
chem comp atom.model cartn z ideal: 0.040
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: O
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: O
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.832
chem comp atom.model cartn x ideal: -2.999
chem comp atom.model cartn y: -7.381
chem comp atom.model cartn y ideal: 0.079
chem comp atom.model cartn z: 30.553
chem comp atom.model cartn z ideal: -0.918
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CB,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CB
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.397
chem comp atom.model cartn x ideal: 0.125
chem comp atom.model cartn y: -5.090
chem comp atom.model cartn y ideal: -0.199
chem comp atom.model cartn z: 28.574
chem comp atom.model cartn z ideal: -0.062
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CG,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CG
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CG
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CG
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.060
chem comp atom.model cartn x ideal: 1.368
chem comp atom.model cartn y: -4.844
chem comp atom.model cartn y ideal: 0.525
chem comp atom.model cartn z: 27.093
chem comp atom.model cartn z ideal: 0.460
chem comp atom.pdb atom id: CG
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CD,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: CD
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: CD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.663
chem comp atom.model cartn x ideal: 2.605
chem comp atom.model cartn y: -3.568
chem comp atom.model cartn y ideal: -0.173
chem comp atom.model cartn z: 26.500
chem comp atom.model cartn z ideal: -0.045
chem comp atom.pdb atom id: CD
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

OE1,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OE1
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OE1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OE1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.422
chem comp atom.model cartn x ideal: 2.502
chem comp atom.model cartn y: -2.859
chem comp atom.model cartn y ideal: -1.149
chem comp atom.model cartn z: 27.182
chem comp atom.model cartn z ideal: -0.750
chem comp atom.pdb atom id: OE1
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OE2,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OE2
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OE2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OE2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 13.367
chem comp atom.model cartn x ideal: 3.820
chem comp atom.model cartn y: -3.264
chem comp atom.model cartn y ideal: 0.290
chem comp atom.model cartn z: 25.323
chem comp atom.model cartn z ideal: 0.289
chem comp atom.pdb atom id: OE2
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: OXT
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: OXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: OXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.022
chem comp atom.model cartn x ideal: -2.720
chem comp atom.model cartn y: -5.237
chem comp atom.model cartn y ideal: -1.357
chem comp atom.model cartn z: 31.196
chem comp atom.model cartn z ideal: 0.738
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: H
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.696
chem comp atom.model cartn x ideal: -1.236
chem comp atom.model cartn y: -4.464
chem comp atom.model cartn y ideal: 1.826
chem comp atom.model cartn z: 27.519
chem comp atom.model cartn z ideal: -1.129
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: H2
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HN2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 15.735
chem comp atom.model cartn x ideal: -1.984
chem comp atom.model cartn y: -3.931
chem comp atom.model cartn y ideal: 2.373
chem comp atom.model cartn z: 29.062
chem comp atom.model cartn z ideal: 0.252
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HA
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.940
chem comp atom.model cartn x ideal: -1.091
chem comp atom.model cartn y: -6.589
chem comp atom.model cartn y ideal: 0.577
chem comp atom.model cartn z: 28.203
chem comp atom.model cartn z ideal: 1.538
chem comp atom.pdb atom id: HA
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB2
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.645
chem comp atom.model cartn x ideal: 0.130
chem comp atom.model cartn y: -5.785
chem comp atom.model cartn y ideal: -1.230
chem comp atom.model cartn z: 28.976
chem comp atom.model cartn z ideal: 0.291
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB3,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HB3
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HB2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HB3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.359
chem comp atom.model cartn x ideal: 0.129
chem comp atom.model cartn y: -4.119
chem comp atom.model cartn y ideal: -0.188
chem comp atom.model cartn z: 29.090
chem comp atom.model cartn z ideal: -1.152
chem comp atom.pdb atom id: HB3
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG2,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG2
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HG1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.446
chem comp atom.model cartn x ideal: 1.363
chem comp atom.model cartn y: -5.697
chem comp atom.model cartn y ideal: 1.556
chem comp atom.model cartn z: 26.516
chem comp atom.model cartn z ideal: 0.107
chem comp atom.pdb atom id: HG2
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG3,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HG3
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HG2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HG3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.966
chem comp atom.model cartn x ideal: 1.364
chem comp atom.model cartn y: -4.769
chem comp atom.model cartn y ideal: 0.514
chem comp atom.model cartn z: 27.006
chem comp atom.model cartn z ideal: 1.550
chem comp atom.pdb atom id: HG3
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HE2,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HE2
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HE2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HE2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 13.804
chem comp atom.model cartn x ideal: 4.583
chem comp atom.model cartn y: -2.455
chem comp atom.model cartn y ideal: -0.191
chem comp atom.model cartn z: 25.085
chem comp atom.model cartn z ideal: -0.059
chem comp atom.pdb atom id: HE2
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,FGA,27572
type: chem comp atom
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem comp atom.atom id: HXT
chem comp atom.comp id: FGA
chem comp atom.entry id: 27572
chem comp atom.align: 1
chem comp atom.alt atom id: HXT
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HXT
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.084
chem comp atom.model cartn x ideal: -3.510
chem comp atom.model cartn y: -5.639
chem comp atom.model cartn y ideal: -1.826
chem comp atom.model cartn z: 32.055
chem comp atom.model cartn z ideal: 0.436
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

DHA,27572,1
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,2
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,3
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,4
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,5
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,6
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,7
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,8
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,9
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,10
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,11
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,12
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,13
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,14
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,15
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,16
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,17
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 17
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,18
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,19
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,20
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,21
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,22
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,23
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,24
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,25
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DHA,27572,26
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DBU,27572,27
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 4
chem comp bond.stereo config: Z
chem comp bond.value order: DOUB

MUB,27572,28
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,29
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,30
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,31
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,32
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,33
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,34
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,35
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,36
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 36
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,37
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,38
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 38
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA1
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,39
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,40
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,41
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N2
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,42
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,43
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,44
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,45
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB1
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,46
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA2
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,47
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,48
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 48
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,49
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,50
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 50
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,51
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,52
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 52
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,53
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

MUB,27572,54
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,55
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,56
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB1
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,57
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,58
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG1
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,59
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,60
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 60
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

ABU,27572,61
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB1
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,62
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 62
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,63
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C11
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,64
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 64
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,65
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,66
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 66
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,67
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,68
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,69
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 69
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,70
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,71
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 71
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,72
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,73
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,74
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,75
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,76
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,77
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

MUB,27572,78
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,79
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 79
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA,27572,80
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DHA
chem comp bond.entry id: 27572
chem comp bond.id: 80
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,81
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,82
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 82
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,83
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 83
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,84
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 84
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,85
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 85
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,86
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 86
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG1
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,87
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 87
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

FGA,27572,88
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 88
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,27572,89
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DAL
chem comp bond.entry id: 27572
chem comp bond.id: 89
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,90
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 90
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,91
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 91
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,92
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 92
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,93
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 93
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG1
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,94
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 94
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBU,27572,95
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBU
chem comp bond.entry id: 27572
chem comp bond.id: 95
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,96
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 96
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE1
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

FGA,27572,97
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 97
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,98
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 98
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,99
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 99
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,100
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 100
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,101
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 101
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,102
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 102
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE2
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,103
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 103
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,104
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 104
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,105
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 105
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,106
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 106
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABU,27572,107
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: ABU
chem comp bond.entry id: 27572
chem comp bond.id: 107
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OE2
chem comp bond.atom id 2: HE2
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,108
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 108
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O6
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

DBB,27572,109
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: DBB
chem comp bond.entry id: 27572
chem comp bond.id: 109
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,110
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 110
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE1
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

FGA,27572,111
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 111
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE2
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,112
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 112
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,113
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 113
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O7
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

NAG,27572,114
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 114
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O6
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,115
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 115
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: O11
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,116
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 116
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OE2
chem comp bond.atom id 2: HE2
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

FGA,27572,117
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: FGA
chem comp bond.entry id: 27572
chem comp bond.id: 117
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,118
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 118
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: O10
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

NAG,27572,119
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 119
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,120
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 120
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N2
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,121
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 121
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,122
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 122
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: N2
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,123
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 123
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,124
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 124
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,125
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 125
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: N2
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,126
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 126
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,127
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 127
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O7
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

NAG,27572,128
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 128
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H81
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,129
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 129
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN2
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,130
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 130
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H82
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,131
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 131
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H81
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,132
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 132
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H82
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,133
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 133
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H83
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,134
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 134
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H83
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,135
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 135
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN2
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,136
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 136
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,137
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 137
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: HO1
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,138
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 138
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H9
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,139
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 139
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: HO3
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,140
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 140
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H111
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,141
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 141
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: HO4
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,142
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 142
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H112
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,27572,143
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: NAG
chem comp bond.entry id: 27572
chem comp bond.id: 143
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O6
chem comp bond.atom id 2: HO6
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,144
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 144
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H113
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,145
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 145
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4A
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,146
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 146
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,147
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 147
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,148
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 148
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,149
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 149
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O6
chem comp bond.atom id 2: HO6
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,150
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 150
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,151
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 151
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O11
chem comp bond.atom id 2: H1'
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

MUB,27572,152
type: chem comp bond
of datablock: info:bmrb/27572
chem comp bond.comp id: MUB
chem comp bond.entry id: 27572
chem comp bond.id: 152
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: HO1
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

chem comp descriptorCategory
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBU,CC=C(C(=O)O)N,27572,OECHEM,1.5.0,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBU,CC=C(N)C(O)=O,27572,CACTVS,3.341,SMILES
has chem comp descriptor: 27572
has chem comp descriptor: 3.341
has chem comp descriptor: 1.5
has chem comp descriptor: b3-2-,27572,na,1.03,INCHI
has chem comp descriptor: N,27572,ACD,10.04,SMILES
has chem comp descriptor: DBU,PAWSVPVNIXFKOS-IHWYPQMZSA-N,27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,CC(C(=O)O)N,27572,OECHEM,1.5.0,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,C(CaaH)(N)C(O)=O,27572,CACTVS,3.341,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,C(CaH)(C(=O)O)N,27572,OECHEM,1.5.0,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,C(CH)(N)C(O)=O,27572,CACTVS,3.341,SMILES
has chem comp descriptor: s1,27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,O=C(O)C(N)C,27572,ACD,10.04,SMILES
has chem comp descriptor: DAL,QNAYBMKLOCPYGJ-UWTATZPHSA-N,27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,C=C(C(=O)O)N,27572,OECHEM,1.5.0,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,C=C(C(=O)O)N,27572,OECHEM,1.5.0,SMILES_CANONICAL
has chem comp descriptor: h1,4H2,(H,5,6),27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,NC(=C)C(O)=O,27572,CACTVS,3.341,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,NC(=C)C(O)=O,27572,CACTVS,3.341,SMILES_CANONICAL
has chem comp descriptor: 10.04
has chem comp descriptor: DHA,UQBOJOOOTLPNST-UHFFFAOYSA-N,27572,na,1.03,INCHI
has chem comp descriptor: ABU,BTCSSZJGUNDROE-UHFFFAOYSA-N,27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,C(CC(=O)O)CN,27572,OECHEM,1.7.0,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,C(CC(=O)O)CN,27572,OECHEM,1.7.0,SMILES_CANONICAL
has chem comp descriptor: h1-3,5H2,(H,6,7),27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,NCCCC(O)=O,27572,CACTVS,3.370,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,NCCCC(O)=O,27572,CACTVS,3.370,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,O=C(O)CCCN,27572,ACD,12.01,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CCC(C(=O)O)N,27572,OECHEM,1.7.6,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CC(CaaH)(N)C(O)=O,27572,CACTVS,3.385,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CC(CaH)(C(=O)O)N,27572,OECHEM,1.7.6,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CC(CH)(N)C(O)=O,27572,CACTVS,3.385,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,O=C(O)C(N)CC,27572,ACD,12.01,SMILES
has chem comp descriptor: DBB,QWCKQJZIFLGMSD-GSVOUGTGSA-N,27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/NAG,CC(=O)NC1C(C(C(OC1O)CO)O)O,27572,OECHEM,1.7.6,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/NAG,CC(=O)N(CaaH)1(CaH)((CaaH)((CaH)(O(CaH)1O)CO)O)O,27572,OECHEM,1.7.6,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/NAG,CC(=O)N(CaH)1(CaH)(O)O(CaH)(CO)(CaaH)(O)(CaaH)1O,27572,CACTVS,3.370,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/NAG,CC(=O)N(CH)1(CH)(O)O(CH)(CO)(CH)(O)(CH)1O,27572,CACTVS,3.370,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/NAG,O=C(NC1C(O)C(O)C(OC1O)CO)C,27572,ACD,12.01,SMILES
has chem comp descriptor: NAG,OVRNDRQMDRJTHS-FMDGEEDCSA-N,27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/MUB,CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C,27572,OECHEM,1.5.0,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/MUB,C(CaaH)(O(CaH)1(CaH)(O)(CaaH)(CO)O(CaH)(O)(CaaH)1NC(C)=O)C(O)=O,27572,CACTVS,3.341,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/MUB,C(CaH)(C(=O)O)O(CaaH)1(CaH)((CaH)(O(CaaH)((CaH)1O)CO)O)NC(=O)C,27572,OECHEM,1.5.0,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/MUB,C(CH)(O(CH)1(CH)(O)(CH)(CO)O(CH)(O)(CH)1NC(C)=O)C(O)=O,27572,CACTVS,3.341,SMILES
has chem comp descriptor: MUB,MNLRQHMNZILYPY-MDMHTWEWSA-N,27572,na,1.03,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/MUB,O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C,27572,ACD,10.04,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/FGA,C(CC(=O)O)C(C(=O)O)N,27572,OECHEM,1.7.2,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/FGA,C(CC(=O)O)(CaH)(C(=O)O)N,27572,OECHEM,1.7.2,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/FGA,N(CaH)(CCC(O)=O)C(O)=O,27572,CACTVS,3.370,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/FGA,N(CH)(CCC(O)=O)C(O)=O,27572,CACTVS,3.370,SMILES
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/FGA,O=C(O)C(N)CCC(=O)O,27572,ACD,12.01,SMILES
has chem comp descriptor: FGA,WHUUTDBJXJRKMK-GSVOUGTGSA-N,27572,na,1.03,INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBU,CC=C(C(=O)O)N,27572,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBU
chem comp descriptor.descriptor: CC=C(C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBU,CC=C(N)C(O)=O,27572,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBU
chem comp descriptor.descriptor: CC=C(N)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

b3-2-,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBU
chem comp descriptor.descriptor: InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

N,27572,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBU
chem comp descriptor.descriptor: O=C(O)C(=C/C)/N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

DBU,PAWSVPVNIXFKOS-IHWYPQMZSA-N,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBU
chem comp descriptor.descriptor: PAWSVPVNIXFKOS-IHWYPQMZSA-N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,CC(C(=O)O)N,27572,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: CC(C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,C(CaaH)(N)C(O)=O,27572,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: C[C@@H](N)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,C(CaH)(C(=O)O)N,27572,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: C[C@H](C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,C(CH)(N)C(O)=O,27572,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: C[CH](N)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

s1,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DAL,O=C(O)C(N)C,27572,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: O=C(O)C(N)C
chem comp descriptor.entry id: 27572
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

DAL,QNAYBMKLOCPYGJ-UWTATZPHSA-N,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: QNAYBMKLOCPYGJ-UWTATZPHSA-N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,C=C(C(=O)O)N,27572,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DHA
chem comp descriptor.descriptor: C=C(C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,C=C(C(=O)O)N,27572,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DHA
chem comp descriptor.descriptor: C=C(C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

h1,4H2,(H,5,6),27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DHA
chem comp descriptor.descriptor: InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,NC(=C)C(O)=O,27572,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DHA
chem comp descriptor.descriptor: NC(=C)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DHA,NC(=C)C(O)=O,27572,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DHA
chem comp descriptor.descriptor: NC(=C)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

DHA,UQBOJOOOTLPNST-UHFFFAOYSA-N,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DHA
chem comp descriptor.descriptor: UQBOJOOOTLPNST-UHFFFAOYSA-N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

ABU,BTCSSZJGUNDROE-UHFFFAOYSA-N,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: ABU
chem comp descriptor.descriptor: BTCSSZJGUNDROE-UHFFFAOYSA-N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,C(CC(=O)O)CN,27572,OECHEM,1.7.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: ABU
chem comp descriptor.descriptor: C(CC(=O)O)CN
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,C(CC(=O)O)CN,27572,OECHEM,1.7.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: ABU
chem comp descriptor.descriptor: C(CC(=O)O)CN
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES_CANONICAL

h1-3,5H2,(H,6,7),27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: ABU
chem comp descriptor.descriptor: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,NCCCC(O)=O,27572,CACTVS,3.370,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: ABU
chem comp descriptor.descriptor: NCCCC(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,NCCCC(O)=O,27572,CACTVS,3.370,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: ABU
chem comp descriptor.descriptor: NCCCC(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/ABU,O=C(O)CCCN,27572,ACD,12.01,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: ABU
chem comp descriptor.descriptor: O=C(O)CCCN
chem comp descriptor.entry id: 27572
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CCC(C(=O)O)N,27572,OECHEM,1.7.6,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBB
chem comp descriptor.descriptor: CCC(C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.6
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CC(CaaH)(N)C(O)=O,27572,CACTVS,3.385,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBB
chem comp descriptor.descriptor: CC[C@@H](N)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CC(CaH)(C(=O)O)N,27572,OECHEM,1.7.6,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBB
chem comp descriptor.descriptor: CC[C@H](C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.6
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,CC(CH)(N)C(O)=O,27572,CACTVS,3.385,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBB
chem comp descriptor.descriptor: CC[CH](N)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES

s1,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBB
chem comp descriptor.descriptor: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/DBB,O=C(O)C(N)CC,27572,ACD,12.01,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: DBB
chem comp descriptor.descriptor: O=C(O)C(N)CC
chem comp descriptor.entry id: 27572
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

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type: chem comp descriptor
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chem comp descriptor.entry id: 27572
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chem comp descriptor.program: OECHEM
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type: chem comp descriptor
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chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
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type: chem comp descriptor
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chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES

s1,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

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type: chem comp descriptor
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chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: O=C(NC1C(O)C(O)C(OC1O)CO)C
chem comp descriptor.entry id: 27572
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

NAG,OVRNDRQMDRJTHS-FMDGEEDCSA-N,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: OVRNDRQMDRJTHS-FMDGEEDCSA-N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

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type: chem comp descriptor
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chem comp descriptor.comp id: MUB
chem comp descriptor.descriptor: CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

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type: chem comp descriptor
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chem comp descriptor.comp id: MUB
chem comp descriptor.descriptor: C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: MUB
chem comp descriptor.descriptor: C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: MUB
chem comp descriptor.descriptor: C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

s1,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: MUB
chem comp descriptor.descriptor: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

MUB,MNLRQHMNZILYPY-MDMHTWEWSA-N,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: MUB
chem comp descriptor.descriptor: MNLRQHMNZILYPY-MDMHTWEWSA-N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: MUB
chem comp descriptor.descriptor: O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
chem comp descriptor.entry id: 27572
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: FGA
chem comp descriptor.descriptor: C(CC(=O)O)C(C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.2
chem comp descriptor.type: SMILES

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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: FGA
chem comp descriptor.descriptor: C(CC(=O)O)[C@H](C(=O)O)N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.2
chem comp descriptor.type: SMILES_CANONICAL

s1,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: FGA
chem comp descriptor.descriptor: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: FGA
chem comp descriptor.descriptor: N[C@H](CCC(O)=O)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: FGA
chem comp descriptor.descriptor: N[CH](CCC(O)=O)C(O)=O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr27572/chem_comp_descriptor/FGA,O=C(O)C(N)CCC(=O)O,27572,ACD,12.01,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: FGA
chem comp descriptor.descriptor: O=C(O)C(N)CCC(=O)O
chem comp descriptor.entry id: 27572
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

FGA,WHUUTDBJXJRKMK-GSVOUGTGSA-N,27572,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27572
chem comp descriptor.comp id: FGA
chem comp descriptor.descriptor: WHUUTDBJXJRKMK-GSVOUGTGSA-N
chem comp descriptor.entry id: 27572
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

DBU,27572,(2Z)-2-aminobut-2-enoic acid,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DBU
chem comp identifier.entry id: 27572
chem comp identifier.identifier: (2Z)-2-aminobut-2-enoic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

DBU,27572,(Z)-2-aminobut-2-enoic acid,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DBU
chem comp identifier.entry id: 27572
chem comp identifier.identifier: (Z)-2-aminobut-2-enoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

DAL,27572,(2R)-2-aminopropanoic acid,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DAL
chem comp identifier.entry id: 27572
chem comp identifier.identifier: (2R)-2-aminopropanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

DAL,27572,D-alanine,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DAL
chem comp identifier.entry id: 27572
chem comp identifier.identifier: D-alanine
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

DHA,27572,2-aminoprop-2-enoic acid,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DHA
chem comp identifier.entry id: 27572
chem comp identifier.identifier: 2-aminoprop-2-enoic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

DHA,27572,2-aminoprop-2-enoic acid,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DHA
chem comp identifier.entry id: 27572
chem comp identifier.identifier: 2-aminoprop-2-enoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

ABU,27572,4-aminobutanoic acid,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: ABU
chem comp identifier.entry id: 27572
chem comp identifier.identifier: 4-aminobutanoic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

ABU,27572,4-azanylbutanoic acid,OECHEM,1.7.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: ABU
chem comp identifier.entry id: 27572
chem comp identifier.identifier: 4-azanylbutanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.7.0
chem comp identifier.type: systematic name

DBB,27572,(2R)-2-aminobutanoic acid,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DBB
chem comp identifier.entry id: 27572
chem comp identifier.identifier: (2R)-2-aminobutanoic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

DBB,27572,(2R)-2-azanylbutanoic acid,OECHEM,1.7.6,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: DBB
chem comp identifier.entry id: 27572
chem comp identifier.identifier: (2R)-2-azanylbutanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.7.6
chem comp identifier.type: systematic name

NAG,27572,2-(acetylamino)-2-deoxy-beta-D-glucopyranose,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: NAG
chem comp identifier.entry id: 27572
chem comp identifier.identifier: 2-(acetylamino)-2-deoxy-beta-D-glucopyranose
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

NAG,27572,N-((2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl)ethanamide,OECHEM,1.7.6,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: NAG
chem comp identifier.entry id: 27572
chem comp identifier.identifier: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.7.6
chem comp identifier.type: systematic name

MUB,27572,(2R)-2-((2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxypropanoic acid,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: MUB
chem comp identifier.entry id: 27572
chem comp identifier.identifier: (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

MUB,27572,2-(acetylamino)-3-O-((1R)-1-carboxyethyl)-2-deoxy-alpha-D-glucopyranose,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: MUB
chem comp identifier.entry id: 27572
chem comp identifier.identifier: 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

FGA,27572,(2R)-2-azanylpentanedioic acid,OECHEM,1.7.2,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: FGA
chem comp identifier.entry id: 27572
chem comp identifier.identifier: (2R)-2-azanylpentanedioic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.7.2
chem comp identifier.type: systematic name

FGA,27572,D-glutamic acid,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/27572
chem comp identifier.comp id: FGA
chem comp identifier.entry id: 27572
chem comp identifier.identifier: D-glutamic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

1,27572,1
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.286
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 275720301

1,27572,2
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.286
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: ILE
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.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 275720301

1,27572,3
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 3
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: 0.286
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: LEU
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.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 275720301

1,27572,4
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,5
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 5
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: 0.143
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: PRO
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,6
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 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: 10
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: 275720301

1,27572,7
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,8
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.200
chem shift completeness char.chem shift coverage: 0.529
chem shift completeness char.comp id: LYS
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,9
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 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: 14
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: 275720301

1,27572,10
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.667
chem shift completeness char.chem shift coverage: 0.857
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: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 275720301

1,27572,11
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 11
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: 0.286
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: LEU
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.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 275720301

1,27572,12
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.286
chem shift completeness char.chem shift coverage: 0.615
chem shift completeness char.comp id: MET
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.375
chem shift completeness char.sf id: 275720301

1,27572,13
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: GLY
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 275720301

1,27572,14
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,15
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: ASN
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.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: 275720301

1,27572,16
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.286
chem shift completeness char.chem shift coverage: 0.615
chem shift completeness char.comp id: MET
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.375
chem shift completeness char.sf id: 275720301

1,27572,17
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.200
chem shift completeness char.chem shift coverage: 0.529
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,18
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 0.667
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ALA
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.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 275720301

1,27572,19
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,20
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 20
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: 0.333
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: ASN
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: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,21
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
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: 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: 0.750
chem shift completeness char.comp id: CYS
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,22
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 22
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: 0.750
chem shift completeness char.comp id: SER
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 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 275720301

1,27572,23
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 23
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: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: ILE
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.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 275720301

1,27572,24
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 24
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.500
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: 1.000
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: 0.583
chem shift completeness char.comp id: HIS
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 275720301

1,27572,25
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 25
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: 0.600
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: 0.818
chem shift completeness char.comp id: VAL
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: 0.667
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: 275720301

1,27572,26
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 26
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
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 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: 275720301

1,27572,27
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 27
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: 0.333
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 275720301

1,27572,28
type: chem shift completeness char
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27572
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
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: 275720301

1,27572
type: chem shift completeness list
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 27572
chem shift completeness list.arom chem shift 13c fraction: 2/2
chem shift completeness list.arom chem shift 1h fraction: 0/2
chem shift completeness list.arom chem shift fraction: 2/4
chem shift completeness list.assigned residue coverage: 0.634
chem shift completeness list.bb chem shift 13c fraction: 73/81
chem shift completeness list.bb chem shift 15n fraction: 25/27
chem shift completeness list.bb chem shift 1h fraction: 48/55
chem shift completeness list.bb chem shift fraction: 146/163
chem shift completeness list.chem shift 13c fraction: 103/118
chem shift completeness list.chem shift 15n fraction: 26/29
chem shift completeness list.chem shift 1h fraction: 54/161
chem shift completeness list.chem shift fraction: 183/308
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr27572_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 14/15
chem shift completeness list.methyl chem shift 1h fraction: 2/15
chem shift completeness list.methyl chem shift fraction: 16/30
chem shift completeness list.output file name: bmr27572_chem_shift_completeness.str
chem shift completeness list.queried date: 2018-10-23Z
chem shift completeness list.sc chem shift 13c fraction: 53/62
chem shift completeness list.sc chem shift 15n fraction: 1/2
chem shift completeness list.sc chem shift 1h fraction: 6/106
chem shift completeness list.sc chem shift fraction: 60/170
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: 275720301

1,27572,1
type: chem shift experiment
of datablock: info:bmrb/27572
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27572
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 2D NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,27572,2
type: chem shift experiment
of datablock: info:bmrb/27572
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27572
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 2D CH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,27572,3
type: chem shift experiment
of datablock: info:bmrb/27572
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27572
chem shift experiment.experiment id: 3
chem shift experiment.experiment name: 2D CC
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,27572,6
type: chem shift experiment
of datablock: info:bmrb/27572
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27572
chem shift experiment.experiment id: 6
chem shift experiment.experiment name: 3D HN(CO)CA
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

13,C,1,27572,Adamantane
type: chem shift ref
of datablock: info:bmrb/27572
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 27572
chem shift ref.mol common name: Adamantane
chem shift ref.atom group: methylene carbons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 31.48
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

1,H,1,27572,water
type: chem shift ref
of datablock: info:bmrb/27572
chem shift ref.atom isotope number: 1
chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 27572
chem shift ref.mol common name: water
chem shift ref.atom group: protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 4.8
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,27572,Histidine
type: chem shift ref
of datablock: info:bmrb/27572
chem shift ref.atom isotope number: 15
chem shift ref.atom type: N
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 27572
chem shift ref.mol common name: Histidine
chem shift ref.atom group: nitrogen
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 175.17
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

27572,1
type: chem shift reference
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
chem shift reference.entry id: 27572
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference_1

1,27572,2
type: chem shift software
of datablock: info:bmrb/27572
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 27572
chem shift software.software id: 2
chem shift software.method id: 0
chem shift software.software label: SPARKY

27572,1
type: citation
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
citation.entry id: 27572
citation.id: 1
citation.class: entry citation
citation.doi: 10.1038/s41467-018-06314-x
citation.journal abbrev: Nat. Commun.
citation.journal issue: 1
citation.journal name full: Nature communications
citation.journal volume: 9
citation.page first: 3963
citation.page last: 3963
citation.pubmed id: 30262913
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: High-resolution NMR studies of antibiotics in cellular membranes.
citation.type: journal
citation.year: 2018

info:doi/10.1038/s41467-018-06314-x

urn:miriam:doi:10.1038/s41467-018-06314-x

info:pmid/30262913

urn:miriam:pubmed:30262913

1,27572,1
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 1
citation author.family name: Medeiros-Silva
citation author.given name: Joao
citation author.pdbx name: Medeiros-Silva, J.

1,27572,2
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 2
citation author.family name: Jekhmane
citation author.given name: Shehrazade
citation author.pdbx name: Jekhmane, S.

1,27572,3
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 3
citation author.family name: Lucini Paioni
citation author.given name: Alessandra
citation author.pdbx name: Lucini Paioni, A.

1,27572,4
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 4
citation author.family name: Gawarecka
citation author.given name: Katarzyna
citation author.pdbx name: Gawarecka, K.

1,27572,5
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 5
citation author.family name: Baldus
citation author.given name: Marc
citation author.pdbx name: Baldus, M.

1,27572,6
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 6
citation author.family name: Swiezewska
citation author.given name: Ewa
citation author.pdbx name: Swiezewska, E.

1,27572,7
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 7
citation author.family name: Breukink
citation author.given name: Eefjan
citation author.pdbx name: Breukink, E.

1,27572,8
type: citation author
of datablock: info:bmrb/27572
citation author.citation id: 1
citation author.entry id: 27572
citation author.ordinal: 8
citation author.family name: Weingarth
citation author.given name: Markus
citation author.pdbx name: Weingarth, M.

1,27572,Nisin
type: citation keyword
of datablock: info:bmrb/27572
citation keyword.citation id: 1
citation keyword.entry id: 27572
citation keyword.keyword: Nisin

1,27572,Solid-State NMR
type: citation keyword
of datablock: info:bmrb/27572
citation keyword.citation id: 1
citation keyword.entry id: 27572
citation keyword.keyword: Solid-State NMR

27572,assigned chemical shifts
type: data set
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
data set.entry id: 27572
data set.type: assigned_chemical_shifts
data set.count: 1

27572,13C chemical shifts
type: datum
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
datum.entry id: 27572
datum.type: 13C chemical shifts
datum.count: 130

27572,15N chemical shifts
type: datum
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
datum.entry id: 27572
datum.type: 15N chemical shifts
datum.count: 33

27572,1H chemical shifts
type: datum
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
datum.entry id: 27572
datum.type: 1H chemical shifts
datum.count: 61

27572,1
type: entity
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
entity.entry id: 27572
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.details: Thioether bonds (-S-) instead of dissulfide bonds (-S=S-) are present.
entity.formula weight: 3341.111
entity.name: Nisin Z
entity.nstd chirality: yes
entity.nstd linkage: yes
entity.nstd monomer: yes
entity.number of monomers: 34
entity.paramagnetic: no
entity.parent entity id: 0
entity.polymer author seq details: The X referes to Dehydrobutyrine, Dehydroalanine, D-AlalineS and AlanineS (Lanthionine) and Aminobutyric acid and AlanineS (3-Methyllanthionine). The CYS residues 7, 11, 19, 26, 28 should be regarded as an alanine crosslinked via a sulfour atom.
entity.polymer seq one letter code: IXXIXLCXPGCKXGALMGCNMKXAXCNCSIHVXK
entity.polymer seq one letter code can: I(DBU)(DAL)I(DHA)LC(ABU)PGCK(ABU)GALMGCNMK(ABU)A(ABU)CNCSIHV(DHA)K
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: Nisin_Z
entity.thiol state: all disulfide bound
entity.type: polymer

27572,2
type: entity
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
entity.entry id: 27572
entity.id: 2
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 966.9814
entity.name: Lipid II
entity.nstd chirality: yes
entity.nstd linkage: yes
entity.nstd monomer: yes
entity.number of monomers: 7
entity.paramagnetic: no
entity.parent entity id: 0
entity.polymer seq one letter code: XXAXKXX
entity.polymer seq one letter code can: (NAG)(MUB)A(FGA)K(DAL)(DAL)
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: Lipid_II
entity.thiol state: not present
entity.type: polymer

1,27572,1
type: entity assembly
of datablock: info:bmrb/27572
entity assembly.assembly id: 1
entity assembly.entry id: 27572
entity assembly.id: 1
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: Nisin
entity assembly.entity id: 1
entity assembly.entity label: Nisin_Z
entity assembly.experimental data reported: yes
entity assembly.magnetic equivalence group code: 1
entity assembly.physical state: native
entity assembly.role: Binder

1,27572,2
type: entity assembly
of datablock: info:bmrb/27572
entity assembly.assembly id: 1
entity assembly.entry id: 27572
entity assembly.id: 2
entity assembly.asym id: B
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: Lipid II
entity assembly.entity id: 2
entity assembly.entity label: Lipid_II
entity assembly.experimental data reported: no
entity assembly.physical state: native
entity assembly.role: Receptor

Bacteriocin, antibiotic,1,27572
type: entity biological function
of datablock: info:bmrb/27572
entity biological function.biological function: Bacteriocin, antibiotic
entity biological function.entity id: 1
entity biological function.entry id: 27572

Bacteriocin, antibiotic,2,27572
type: entity biological function
of datablock: info:bmrb/27572
entity biological function.biological function: Bacteriocin, antibiotic
entity biological function.entity id: 2
entity biological function.entry id: 27572

1,27572,1
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 1
entity comp index.comp id: ILE

1,27572,2
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 2
entity comp index.comp id: DBU

1,27572,3
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 3
entity comp index.comp id: DAL

1,27572,4
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 4
entity comp index.comp id: ILE

1,27572,5
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 5
entity comp index.comp id: DHA

1,27572,6
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 6
entity comp index.comp id: LEU

1,27572,7
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 7
entity comp index.comp id: CYS

1,27572,8
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 8
entity comp index.comp id: ABU

1,27572,9
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 9
entity comp index.comp id: PRO

1,27572,10
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 10
entity comp index.comp id: GLY

1,27572,11
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 11
entity comp index.comp id: CYS

1,27572,12
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 12
entity comp index.comp id: LYS

1,27572,13
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 13
entity comp index.comp id: ABU

1,27572,14
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 14
entity comp index.comp id: GLY

1,27572,15
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 15
entity comp index.comp id: ALA

1,27572,16
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 16
entity comp index.comp id: LEU

1,27572,17
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 17
entity comp index.comp id: MET

1,27572,18
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 18
entity comp index.comp id: GLY

1,27572,19
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 19
entity comp index.comp id: CYS

1,27572,20
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 20
entity comp index.comp id: ASN

1,27572,21
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 21
entity comp index.comp id: MET

1,27572,22
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 22
entity comp index.comp id: LYS

1,27572,23
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 23
entity comp index.comp id: ABU

1,27572,24
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 24
entity comp index.comp id: ALA

1,27572,25
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 25
entity comp index.comp id: ABU

1,27572,26
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 26
entity comp index.comp id: CYS

1,27572,27
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 27
entity comp index.comp id: ASN

1,27572,28
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 28
entity comp index.comp id: CYS

1,27572,29
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 29
entity comp index.comp id: SER

1,27572,30
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 30
entity comp index.comp id: ILE

1,27572,31
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 31
entity comp index.comp id: HIS

1,27572,32
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 32
entity comp index.comp id: VAL

1,27572,33
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 33
entity comp index.comp id: DHA

1,27572,34
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 1
entity comp index.entry id: 27572
entity comp index.id: 34
entity comp index.comp id: LYS

2,27572,35
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 2
entity comp index.entry id: 27572
entity comp index.id: 35
entity comp index.comp id: NAG

2,27572,36
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 2
entity comp index.entry id: 27572
entity comp index.id: 36
entity comp index.comp id: MUB

2,27572,37
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 2
entity comp index.entry id: 27572
entity comp index.id: 37
entity comp index.comp id: ALA

2,27572,38
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 2
entity comp index.entry id: 27572
entity comp index.id: 38
entity comp index.comp id: FGA

2,27572,39
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 2
entity comp index.entry id: 27572
entity comp index.id: 39
entity comp index.comp id: LYS

2,27572,40
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 2
entity comp index.entry id: 27572
entity comp index.id: 40
entity comp index.comp id: DAL

2,27572,41
type: entity comp index
of datablock: info:bmrb/27572
entity comp index.entity id: 2
entity comp index.entry id: 27572
entity comp index.id: 41
entity comp index.comp id: DAL

P29559,SP,1,27572
type: entity db link
of datablock: info:bmrb/27572
entity db link.accession code: P29559
entity db link.database code: SP
entity db link.entity id: 1
entity db link.entry id: 27572
entity db link.author supplied: yes
entity db link.entry mol name: NisZ
entity db link.ordinal: 1

info:uniprot/P29559

urn:miriam:uniprot:P29559

1WCO,PDB,1,27572
type: entity db link
of datablock: info:bmrb/27572
entity db link.accession code: 1WCO
entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 27572
entity db link.author supplied: yes
entity db link.ordinal: 3

1WCO,PDB,2,27572
type: entity db link
of datablock: info:bmrb/27572
entity db link.accession code: 1WCO
entity db link.database code: PDB
entity db link.entity id: 2
entity db link.entry id: 27572
entity db link.author supplied: yes
entity db link.ordinal: 1

1,27572,1
type: entity experimental src
of datablock: info:bmrb/27572
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 27572
entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.details: Extracted from bacterial growth medium
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: Nisin_Z
entity experimental src.host org genus: Lactococcus
entity experimental src.host org name common: not available
entity experimental src.host org ncbi taxonomy id: 1358
entity experimental src.host org scientific name: Lactococcus lactis
entity experimental src.host org species: lactis
entity experimental src.host org strain: NIZO 22186
entity experimental src.production method: purified from the natural source
entity experimental src.vector name: n.a.

info:taxonomy/1358

urn:miriam:taxonomy:1358

1,27572,2
type: entity experimental src
of datablock: info:bmrb/27572
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 27572
entity experimental src.id: 2
entity experimental src.citation id: 0
entity experimental src.details: Synthesised in isolated M. flavus cellular membranes
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 2
entity experimental src.entity label: Lipid_II
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.host org strain: DSM 1790
entity experimental src.production method: enzymatic semisynthesis

27572,1
type: entity experimental src list
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
entity experimental src list.entry id: 27572
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,27572,1
type: entity natural src
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
entity natural src.entity natural src list id: 1
entity natural src.entry id: 27572
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: Nisin_Z
entity natural src.gene mnemonic: nisZ
entity natural src.genus: Lactococcus
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: 1358
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info:taxonomy/384602

urn:miriam:taxonomy:384602

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27572,1
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27572,2
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27572,3
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27572,4
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27572,5
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27572,6
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27572,7
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27572,8
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27572,1
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27572,1,1
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27572,1,3
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27572,1
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27572,2
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release.entry id: 27572
release.release number: 2
release.author: BMRB
release.date: 2019-01-03Z
release.detail: update entry citation
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27572,1
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27572,1
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27572,1
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27572,1,ionic strength
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27572,1,pH
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27572,1
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27572,2
type: software
of datablock: info:bmrb/27572
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr27572/entry/27572
software.entry id: 27572
software.id: 2
software.name: SPARKY
software.sf category: software
software.sf framecode: SPARKY
software.version: 1.4

27572,2,chemical shift assignment
type: task
of datablock: info:bmrb/27572
task.entry id: 27572
task.software id: 2
task.task: chemical shift assignment

27572,1,collection
type: task
of datablock: info:bmrb/27572
task.entry id: 27572
task.software id: 1
task.task: collection

27572,1,data analysis
type: task
of datablock: info:bmrb/27572
task.entry id: 27572
task.software id: 1
task.task: data analysis

27572,2,data analysis
type: task
of datablock: info:bmrb/27572
task.entry id: 27572
task.software id: 2
task.task: data analysis

27572,1,processing
type: task
of datablock: info:bmrb/27572
task.entry id: 27572
task.software id: 1
task.task: processing

27572,Goddard,2
type: vendor
of datablock: info:bmrb/27572
vendor.entry id: 27572
vendor.name: Goddard
vendor.software id: 2

27572,Bruker BioSpin,1
type: vendor
of datablock: info:bmrb/27572
vendor.entry id: 27572
vendor.name: Bruker BioSpin
vendor.software id: 1