info:bmrb/27731
type: datablock
references: doi:10.13018/BMR27731
alternative label: bmr27731
title: Inhibitor-interaction, dimerization and activity change of HIV-1 protease mutants evolved under drug-pressure
datablock name: 27731
has assembly category: assemblyCategory
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has chem shift reference category: chem shift referenceCategory
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has citation category: citationCategory
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has related entries category: related entriesCategory
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27731,1
type: assembly
of datablock: info:bmrb/27731
reference to entry: entry
assembly.entry id: 27731
assembly.id: 1
assembly.details: Inhibitor bound HIV-1 Protease Homodimer
assembly.molecular mass: 21980.94
assembly.name: HIV-1 Protease homodimer
assembly.non standard bonds: no
assembly.number of components: 3
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly

27731,1
type: assigned chem shift list
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reference to entry: entry
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assigned chem shift list.id: 1
assigned chem shift list.chem shift 13c err: 0.031
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assigned chem shift list.chem shift 1h err: 0.006
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assigned chem shift list.chem shift reference label: chemical_shift_reference_1
assigned chem shift list.details: A designates that the subunit that contains this residue is bound to the bis-THF side of the inhibitor. B designates that the subunit that contains this residue is bound to the aniline side of the inhibitor. If blank, the assignment to the bis-THF or aniline functional group part of the inhibitor is unknown.
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assigned chem shift list.sample condition list label: sample_conditions_1
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atom chem shift.val err: 0.031

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type: atom chem shift
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atom chem shift.val err: 0.006

1,27731,6
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1,27731,7
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1,27731,9
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1,27731,11
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1,27731,12
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1,27731,13
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1,27731,14
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1,27731,15
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1,27731,16
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1,27731,17
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1,27731,18
type: atom chem shift
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1,27731,19
type: atom chem shift
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1,27731,20
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1,27731,21
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1,27731,22
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1,27731,23
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1,27731,24
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1,27731,25
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1,27731,26
type: atom chem shift
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1,27731,27
type: atom chem shift
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1,27731,28
type: atom chem shift
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1,27731,29
type: atom chem shift
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1,27731,30
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1,27731,31
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atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 116.299
atom chem shift.val err: 0.058

1,27731,33
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 33
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 13
atom chem shift.comp id: ILE
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 9.283
atom chem shift.val err: 0.006

1,27731,34
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 34
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 13
atom chem shift.comp id: ILE
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 58.077
atom chem shift.val err: 0.031

1,27731,35
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 35
atom chem shift.ambiguity code: 6
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: 13
atom chem shift.comp id: ILE
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 120.627
atom chem shift.val err: 0.058

1,27731,36
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 36
atom chem shift.ambiguity code: 6
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: ARG
atom chem shift.auth seq id: 14
atom chem shift.comp id: ARG
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 8.606
atom chem shift.val err: 0.006

1,27731,37
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 37
atom chem shift.ambiguity code: 6
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: ARG
atom chem shift.auth seq id: 14
atom chem shift.comp id: ARG
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 54.626
atom chem shift.val err: 0.031

1,27731,38
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 38
atom chem shift.ambiguity code: 6
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: ARG
atom chem shift.auth seq id: 14
atom chem shift.comp id: ARG
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 120.591
atom chem shift.val err: 0.058

1,27731,39
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 39
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 15
atom chem shift.comp id: ILE
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 8.931
atom chem shift.val err: 0.006

1,27731,40
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 40
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 15
atom chem shift.comp id: ILE
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 59.211
atom chem shift.val err: 0.031

1,27731,41
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 41
atom chem shift.ambiguity code: 6
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: 15
atom chem shift.comp id: ILE
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 124.869
atom chem shift.val err: 0.058

1,27731,42
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 42
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLY
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 9.745
atom chem shift.val err: 0.006

1,27731,43
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 43
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLY
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 46.928
atom chem shift.val err: 0.031

1,27731,44
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 44
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLY
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 118.241
atom chem shift.val err: 0.058

1,27731,45
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 45
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 8.778
atom chem shift.val err: 0.006

1,27731,46
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 46
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 45.042
atom chem shift.val err: 0.031

1,27731,47
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 47
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 105.431
atom chem shift.val err: 0.058

1,27731,48
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 48
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 18
atom chem shift.comp id: GLN
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 8.003
atom chem shift.val err: 0.006

1,27731,49
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 49
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 18
atom chem shift.comp id: GLN
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 54.323
atom chem shift.val err: 0.031

1,27731,50
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 50
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 18
atom chem shift.comp id: GLN
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 120.034
atom chem shift.val err: 0.058

1,27731,51
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 51
atom chem shift.ambiguity code: 6
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: 19
atom chem shift.comp id: LEU
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 8.472
atom chem shift.val err: 0.006

1,27731,52
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 52
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 19
atom chem shift.comp id: LEU
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 54.201
atom chem shift.val err: 0.031

1,27731,53
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 53
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 19
atom chem shift.comp id: LEU
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 123.573
atom chem shift.val err: 0.058

1,27731,54
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 54
atom chem shift.ambiguity code: 6
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: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 9.011
atom chem shift.val err: 0.006

1,27731,55
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 55
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 20
atom chem shift.comp id: LYS
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 54.114
atom chem shift.val err: 0.031

1,27731,56
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 56
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 20
atom chem shift.comp id: LYS
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 123.538
atom chem shift.val err: 0.058

1,27731,57
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 57
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLU
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 8.603
atom chem shift.val err: 0.006

1,27731,58
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 58
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLU
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 55.145
atom chem shift.val err: 0.031

1,27731,59
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 59
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLU
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 119.644
atom chem shift.val err: 0.058

1,27731,60
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 60
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: ALA
atom chem shift.auth seq id: 22
atom chem shift.comp id: ALA
atom chem shift.comp index id: 22
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 9.275
atom chem shift.val err: 0.006

1,27731,61
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 61
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: ALA
atom chem shift.auth seq id: 22
atom chem shift.comp id: ALA
atom chem shift.comp index id: 22
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 50.878
atom chem shift.val err: 0.031

1,27731,62
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 62
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: ALA
atom chem shift.auth seq id: 22
atom chem shift.comp id: ALA
atom chem shift.comp index id: 22
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 123.792
atom chem shift.val err: 0.058

1,27731,63
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 63
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: 23
atom chem shift.comp id: LEU
atom chem shift.comp index id: 23
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 8.887
atom chem shift.val err: 0.006

1,27731,64
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 64
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: LEU
atom chem shift.auth seq id: 23
atom chem shift.comp id: LEU
atom chem shift.comp index id: 23
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 53.287
atom chem shift.val err: 0.031

1,27731,65
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 65
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: LEU
atom chem shift.auth seq id: 23
atom chem shift.comp id: LEU
atom chem shift.comp index id: 23
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 121.366
atom chem shift.val err: 0.058

1,27731,66
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 66
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 24
atom chem shift.comp id: LEU
atom chem shift.comp index id: 24
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 8.424
atom chem shift.val err: 0.006

1,27731,67
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 67
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: LEU
atom chem shift.auth seq id: 24
atom chem shift.comp id: LEU
atom chem shift.comp index id: 24
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 55.559
atom chem shift.val err: 0.031

1,27731,68
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 68
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: LEU
atom chem shift.auth seq id: 24
atom chem shift.comp id: LEU
atom chem shift.comp index id: 24
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 124.792
atom chem shift.val err: 0.058

1,27731,69
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 69
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: ASP
atom chem shift.auth seq id: 25
atom chem shift.comp id: ASP
atom chem shift.comp index id: 25
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 8.752
atom chem shift.val err: 0.006

1,27731,70
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 70
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: ASP
atom chem shift.auth seq id: 25
atom chem shift.comp id: ASP
atom chem shift.comp index id: 25
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 52.257
atom chem shift.val err: 0.031

1,27731,71
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 71
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: ASP
atom chem shift.auth seq id: 25
atom chem shift.comp id: ASP
atom chem shift.comp index id: 25
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 128.704
atom chem shift.val err: 0.058

1,27731,72
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 72
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: THR
atom chem shift.auth seq id: 26
atom chem shift.comp id: THR
atom chem shift.comp index id: 26
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 8.200
atom chem shift.val err: 0.006

1,27731,73
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 73
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: THR
atom chem shift.auth seq id: 26
atom chem shift.comp id: THR
atom chem shift.comp index id: 26
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 65.526
atom chem shift.val err: 0.031

1,27731,74
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 74
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: THR
atom chem shift.auth seq id: 26
atom chem shift.comp id: THR
atom chem shift.comp index id: 26
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 111.009
atom chem shift.val err: 0.058

1,27731,75
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 75
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: GLY
atom chem shift.auth seq id: 27
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 7.912
atom chem shift.val err: 0.006

1,27731,76
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 76
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: GLY
atom chem shift.auth seq id: 27
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 45.13
atom chem shift.val err: 0.031

1,27731,77
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 77
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: GLY
atom chem shift.auth seq id: 27
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 108.958
atom chem shift.val err: 0.058

1,27731,78
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 78
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: ALA
atom chem shift.auth seq id: 28
atom chem shift.comp id: ALA
atom chem shift.comp index id: 28
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 7.521
atom chem shift.val err: 0.006

1,27731,79
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 79
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: ALA
atom chem shift.auth seq id: 28
atom chem shift.comp id: ALA
atom chem shift.comp index id: 28
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 50.08
atom chem shift.val err: 0.031

1,27731,80
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 80
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: ALA
atom chem shift.auth seq id: 28
atom chem shift.comp id: ALA
atom chem shift.comp index id: 28
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 126.297
atom chem shift.val err: 0.058

1,27731,81
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 81
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
atom chem shift.comp index id: 29
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 8.647
atom chem shift.val err: 0.006

1,27731,82
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 82
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
atom chem shift.comp index id: 29
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 57.678
atom chem shift.val err: 0.031

1,27731,83
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 83
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
atom chem shift.comp index id: 29
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 125.927
atom chem shift.val err: 0.058

1,27731,84
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 84
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: ASP
atom chem shift.auth seq id: 30
atom chem shift.comp id: ASP
atom chem shift.comp index id: 30
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 7.622
atom chem shift.val err: 0.006

1,27731,85
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 85
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: ASP
atom chem shift.auth seq id: 30
atom chem shift.comp id: ASP
atom chem shift.comp index id: 30
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 52.84
atom chem shift.val err: 0.031

1,27731,86
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 86
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: ASP
atom chem shift.auth seq id: 30
atom chem shift.comp id: ASP
atom chem shift.comp index id: 30
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 115.929
atom chem shift.val err: 0.058

1,27731,87
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 87
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: THR
atom chem shift.auth seq id: 31
atom chem shift.comp id: THR
atom chem shift.comp index id: 31
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 8.322
atom chem shift.val err: 0.006

1,27731,88
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 88
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: THR
atom chem shift.auth seq id: 31
atom chem shift.comp id: THR
atom chem shift.comp index id: 31
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 63.041
atom chem shift.val err: 0.031

1,27731,89
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 89
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: THR
atom chem shift.auth seq id: 31
atom chem shift.comp id: THR
atom chem shift.comp index id: 31
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 117.328
atom chem shift.val err: 0.058

1,27731,90
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 90
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.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 8.287
atom chem shift.val err: 0.006

1,27731,91
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 91
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.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 60.304
atom chem shift.val err: 0.031

1,27731,92
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 92
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.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 127.947
atom chem shift.val err: 0.058

1,27731,93
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 93
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: ILE
atom chem shift.auth seq id: 33
atom chem shift.comp id: ILE
atom chem shift.comp index id: 33
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 9.232
atom chem shift.val err: 0.006

1,27731,94
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 94
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: ILE
atom chem shift.auth seq id: 33
atom chem shift.comp id: ILE
atom chem shift.comp index id: 33
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 56.984
atom chem shift.val err: 0.031

1,27731,95
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 95
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: 33
atom chem shift.comp id: ILE
atom chem shift.comp index id: 33
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 125.658
atom chem shift.val err: 0.058

1,27731,96
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 96
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: GLU
atom chem shift.auth seq id: 34
atom chem shift.comp id: GLU
atom chem shift.comp index id: 34
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 8.094
atom chem shift.val err: 0.006

1,27731,97
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 97
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: GLU
atom chem shift.auth seq id: 34
atom chem shift.comp id: GLU
atom chem shift.comp index id: 34
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 55.363
atom chem shift.val err: 0.031

1,27731,98
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 98
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: GLU
atom chem shift.auth seq id: 34
atom chem shift.comp id: GLU
atom chem shift.comp index id: 34
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 119.974
atom chem shift.val err: 0.058

1,27731,99
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 99
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: GLU
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 7.526
atom chem shift.val err: 0.006

1,27731,100
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 100
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: GLU
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 58.163
atom chem shift.val err: 0.031

1,27731,101
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 101
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: GLU
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 115.33
atom chem shift.val err: 0.058

1,27731,102
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 102
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: MET
atom chem shift.auth seq id: 36
atom chem shift.comp id: MET
atom chem shift.comp index id: 36
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 7.021
atom chem shift.val err: 0.006

1,27731,103
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 103
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: MET
atom chem shift.auth seq id: 36
atom chem shift.comp id: MET
atom chem shift.comp index id: 36
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 54.707
atom chem shift.val err: 0.031

1,27731,104
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 104
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: MET
atom chem shift.auth seq id: 36
atom chem shift.comp id: MET
atom chem shift.comp index id: 36
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 120.47
atom chem shift.val err: 0.058

1,27731,105
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 105
atom chem shift.ambiguity code: 6
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: ASN
atom chem shift.auth seq id: 37
atom chem shift.comp id: ASN
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 8.649
atom chem shift.val err: 0.006

1,27731,106
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 106
atom chem shift.ambiguity code: 6
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: ASN
atom chem shift.auth seq id: 37
atom chem shift.comp id: ASN
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 52.667
atom chem shift.val err: 0.031

1,27731,107
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 107
atom chem shift.ambiguity code: 6
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: ASN
atom chem shift.auth seq id: 37
atom chem shift.comp id: ASN
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 118.911
atom chem shift.val err: 0.058

1,27731,108
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 108
atom chem shift.ambiguity code: 6
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: 38
atom chem shift.comp id: LEU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 7.294
atom chem shift.val err: 0.006

1,27731,109
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 109
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 38
atom chem shift.comp id: LEU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 51.864
atom chem shift.val err: 0.031

1,27731,110
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 110
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 38
atom chem shift.comp id: LEU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 124.692
atom chem shift.val err: 0.058

1,27731,111
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 111
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 39
atom chem shift.comp id: PRO
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 62.675
atom chem shift.val err: 0.031

1,27731,112
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 112
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 40
atom chem shift.comp id: GLY
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 8.379
atom chem shift.val err: 0.006

1,27731,113
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 113
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 40
atom chem shift.comp id: GLY
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 44.282
atom chem shift.val err: 0.031

1,27731,114
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 114
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 40
atom chem shift.comp id: GLY
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 106.257
atom chem shift.val err: 0.058

1,27731,115
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 115
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 41
atom chem shift.comp id: LYS
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 8.40
atom chem shift.val err: 0.006

1,27731,116
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 116
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 41
atom chem shift.comp id: LYS
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 56.225
atom chem shift.val err: 0.031

1,27731,117
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 117
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 41
atom chem shift.comp id: LYS
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 119.198
atom chem shift.val err: 0.058

1,27731,118
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 118
atom chem shift.ambiguity code: 6
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: TRP
atom chem shift.auth seq id: 42
atom chem shift.comp id: TRP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 7.408
atom chem shift.val err: 0.006

1,27731,119
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 119
atom chem shift.ambiguity code: 6
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: TRP
atom chem shift.auth seq id: 42
atom chem shift.comp id: TRP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 53.852
atom chem shift.val err: 0.031

1,27731,120
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 120
atom chem shift.ambiguity code: 6
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: TRP
atom chem shift.auth seq id: 42
atom chem shift.comp id: TRP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 118.552
atom chem shift.val err: 0.058

1,27731,121
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 121
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 8.445
atom chem shift.val err: 0.006

1,27731,122
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 122
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 52.884
atom chem shift.val err: 0.031

1,27731,123
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 123
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 118.085
atom chem shift.val err: 0.058

1,27731,124
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 124
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 44
atom chem shift.comp id: PRO
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 63.166
atom chem shift.val err: 0.031

1,27731,125
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 125
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: LYS
atom chem shift.auth seq id: 45
atom chem shift.comp id: LYS
atom chem shift.comp index id: 45
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 8.587
atom chem shift.val err: 0.006

1,27731,126
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 126
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: LYS
atom chem shift.auth seq id: 45
atom chem shift.comp id: LYS
atom chem shift.comp index id: 45
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 55.635
atom chem shift.val err: 0.031

1,27731,127
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 127
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: LYS
atom chem shift.auth seq id: 45
atom chem shift.comp id: LYS
atom chem shift.comp index id: 45
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 122.725
atom chem shift.val err: 0.058

1,27731,128
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 128
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: MET
atom chem shift.auth seq id: 46
atom chem shift.comp id: MET
atom chem shift.comp index id: 46
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 8.516
atom chem shift.val err: 0.006

1,27731,129
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 129
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: MET
atom chem shift.auth seq id: 46
atom chem shift.comp id: MET
atom chem shift.comp index id: 46
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 53.733
atom chem shift.val err: 0.031

1,27731,130
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 130
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: MET
atom chem shift.auth seq id: 46
atom chem shift.comp id: MET
atom chem shift.comp index id: 46
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 124.157
atom chem shift.val err: 0.058

1,27731,131
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 131
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: ILE
atom chem shift.auth seq id: 47
atom chem shift.comp id: ILE
atom chem shift.comp index id: 47
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 8.936
atom chem shift.val err: 0.006

1,27731,132
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 132
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: ILE
atom chem shift.auth seq id: 47
atom chem shift.comp id: ILE
atom chem shift.comp index id: 47
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 59.288
atom chem shift.val err: 0.031

1,27731,133
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 133
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: 47
atom chem shift.comp id: ILE
atom chem shift.comp index id: 47
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 118.661
atom chem shift.val err: 0.058

1,27731,134
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 134
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: 48
atom chem shift.comp id: VAL
atom chem shift.comp index id: 48
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 8.126
atom chem shift.val err: 0.006

1,27731,135
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 135
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: 48
atom chem shift.comp id: VAL
atom chem shift.comp index id: 48
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 61.325
atom chem shift.val err: 0.031

1,27731,136
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 136
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: 48
atom chem shift.comp id: VAL
atom chem shift.comp index id: 48
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 121.041
atom chem shift.val err: 0.058

1,27731,137
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 137
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: GLY
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLY
atom chem shift.comp index id: 49
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 7.657
atom chem shift.val err: 0.006

1,27731,138
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 138
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: GLY
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLY
atom chem shift.comp index id: 49
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 43.586
atom chem shift.val err: 0.031

1,27731,139
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 139
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: GLY
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLY
atom chem shift.comp index id: 49
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 108.97
atom chem shift.val err: 0.058

1,27731,140
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 140
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: ILE
atom chem shift.auth seq id: 50
atom chem shift.comp id: ILE
atom chem shift.comp index id: 50
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 8.788
atom chem shift.val err: 0.006

1,27731,141
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 141
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: ILE
atom chem shift.auth seq id: 50
atom chem shift.comp id: ILE
atom chem shift.comp index id: 50
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 63.255
atom chem shift.val err: 0.031

1,27731,142
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 142
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: 50
atom chem shift.comp id: ILE
atom chem shift.comp index id: 50
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 121.419
atom chem shift.val err: 0.058

1,27731,143
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 143
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: GLY
atom chem shift.auth seq id: 51
atom chem shift.comp id: GLY
atom chem shift.comp index id: 51
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 8.064
atom chem shift.val err: 0.006

1,27731,144
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 144
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: GLY
atom chem shift.auth seq id: 51
atom chem shift.comp id: GLY
atom chem shift.comp index id: 51
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 104.744
atom chem shift.val err: 0.058

1,27731,145
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 145
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: GLY
atom chem shift.auth seq id: 52
atom chem shift.comp id: GLY
atom chem shift.comp index id: 52
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 7.101
atom chem shift.val err: 0.006

1,27731,146
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 146
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: GLY
atom chem shift.auth seq id: 52
atom chem shift.comp id: GLY
atom chem shift.comp index id: 52
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 43.976
atom chem shift.val err: 0.031

1,27731,147
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 147
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: GLY
atom chem shift.auth seq id: 52
atom chem shift.comp id: GLY
atom chem shift.comp index id: 52
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 106.876
atom chem shift.val err: 0.058

1,27731,148
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 148
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: PHE
atom chem shift.auth seq id: 53
atom chem shift.comp id: PHE
atom chem shift.comp index id: 53
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 8.202
atom chem shift.val err: 0.006

1,27731,149
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 149
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: PHE
atom chem shift.auth seq id: 53
atom chem shift.comp id: PHE
atom chem shift.comp index id: 53
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 57.38
atom chem shift.val err: 0.031

1,27731,150
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 150
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: PHE
atom chem shift.auth seq id: 53
atom chem shift.comp id: PHE
atom chem shift.comp index id: 53
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 118.974
atom chem shift.val err: 0.058

1,27731,151
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 151
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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 54
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 9.24
atom chem shift.val err: 0.006

1,27731,152
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 152
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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 54
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 51.184
atom chem shift.val err: 0.031

1,27731,153
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 153
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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 54
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 122.411
atom chem shift.val err: 0.058

1,27731,154
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 154
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: LYS
atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 8.548
atom chem shift.val err: 0.006

1,27731,155
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 155
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: LYS
atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 56.329
atom chem shift.val err: 0.031

1,27731,156
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 156
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: LYS
atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 123.689
atom chem shift.val err: 0.058

1,27731,157
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 157
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: 56
atom chem shift.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 8.947
atom chem shift.val err: 0.006

1,27731,158
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 158
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: 56
atom chem shift.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 58.343
atom chem shift.val err: 0.031

1,27731,159
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 159
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: 56
atom chem shift.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 116.902
atom chem shift.val err: 0.058

1,27731,160
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 160
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: ARG
atom chem shift.auth seq id: 57
atom chem shift.comp id: ARG
atom chem shift.comp index id: 57
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 8.867
atom chem shift.val err: 0.006

1,27731,161
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 161
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: ARG
atom chem shift.auth seq id: 57
atom chem shift.comp id: ARG
atom chem shift.comp index id: 57
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 55.712
atom chem shift.val err: 0.031

1,27731,162
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 162
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: ARG
atom chem shift.auth seq id: 57
atom chem shift.comp id: ARG
atom chem shift.comp index id: 57
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 119.088
atom chem shift.val err: 0.058

1,27731,163
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 163
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: GLN
atom chem shift.auth seq id: 58
atom chem shift.comp id: GLN
atom chem shift.comp index id: 58
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 9.695
atom chem shift.val err: 0.006

1,27731,164
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 164
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: GLN
atom chem shift.auth seq id: 58
atom chem shift.comp id: GLN
atom chem shift.comp index id: 58
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 55.975
atom chem shift.val err: 0.031

1,27731,165
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 165
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: GLN
atom chem shift.auth seq id: 58
atom chem shift.comp id: GLN
atom chem shift.comp index id: 58
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 123.73
atom chem shift.val err: 0.058

1,27731,166
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 166
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: TYR
atom chem shift.auth seq id: 59
atom chem shift.comp id: TYR
atom chem shift.comp index id: 59
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 9.211
atom chem shift.val err: 0.006

1,27731,167
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 167
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: TYR
atom chem shift.auth seq id: 59
atom chem shift.comp id: TYR
atom chem shift.comp index id: 59
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 57.349
atom chem shift.val err: 0.031

1,27731,168
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 168
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: TYR
atom chem shift.auth seq id: 59
atom chem shift.comp id: TYR
atom chem shift.comp index id: 59
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 129.192
atom chem shift.val err: 0.058

1,27731,169
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 169
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: ASP
atom chem shift.auth seq id: 60
atom chem shift.comp id: ASP
atom chem shift.comp index id: 60
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 8.904
atom chem shift.val err: 0.006

1,27731,170
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 170
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: ASP
atom chem shift.auth seq id: 60
atom chem shift.comp id: ASP
atom chem shift.comp index id: 60
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 53.799
atom chem shift.val err: 0.031

1,27731,171
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 171
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: ASP
atom chem shift.auth seq id: 60
atom chem shift.comp id: ASP
atom chem shift.comp index id: 60
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 121.081
atom chem shift.val err: 0.058

1,27731,172
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 172
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: GLN
atom chem shift.auth seq id: 61
atom chem shift.comp id: GLN
atom chem shift.comp index id: 61
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 8.957
atom chem shift.val err: 0.006

1,27731,173
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 173
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: GLN
atom chem shift.auth seq id: 61
atom chem shift.comp id: GLN
atom chem shift.comp index id: 61
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 56.266
atom chem shift.val err: 0.031

1,27731,174
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 174
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: GLN
atom chem shift.auth seq id: 61
atom chem shift.comp id: GLN
atom chem shift.comp index id: 61
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 114.158
atom chem shift.val err: 0.058

1,27731,175
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 175
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: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 8.715
atom chem shift.val err: 0.006

1,27731,176
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 176
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: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 55.075
atom chem shift.val err: 0.031

1,27731,177
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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
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: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 122.451
atom chem shift.val err: 0.058

1,27731,178
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 178
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 63
atom chem shift.comp id: PRO
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 61.878
atom chem shift.val err: 0.031

1,27731,179
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 179
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 64
atom chem shift.comp id: ILE
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 8.829
atom chem shift.val err: 0.006

1,27731,180
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 180
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 64
atom chem shift.comp id: ILE
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 59.544
atom chem shift.val err: 0.031

1,27731,181
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 181
atom chem shift.ambiguity code: 6
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: 64
atom chem shift.comp id: ILE
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 123.274
atom chem shift.val err: 0.058

1,27731,182
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 182
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLU
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 8.297
atom chem shift.val err: 0.006

1,27731,183
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 183
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLU
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 54.173
atom chem shift.val err: 0.031

1,27731,184
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 184
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLU
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 125.499
atom chem shift.val err: 0.058

1,27731,185
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 185
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 66
atom chem shift.comp id: ILE
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 9.171
atom chem shift.val err: 0.006

1,27731,186
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 186
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 66
atom chem shift.comp id: ILE
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 60.329
atom chem shift.val err: 0.031

1,27731,187
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 187
atom chem shift.ambiguity code: 6
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: 66
atom chem shift.comp id: ILE
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 125.037
atom chem shift.val err: 0.058

1,27731,188
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 188
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 67
atom chem shift.comp id: ALA
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 9.036
atom chem shift.val err: 0.006

1,27731,189
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 189
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 67
atom chem shift.comp id: ALA
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 53.248
atom chem shift.val err: 0.031

1,27731,190
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 190
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 67
atom chem shift.comp id: ALA
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 131.135
atom chem shift.val err: 0.058

1,27731,191
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 191
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLY
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 8.669
atom chem shift.val err: 0.006

1,27731,192
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 192
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLY
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 45.404
atom chem shift.val err: 0.031

1,27731,193
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 193
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLY
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 103.01
atom chem shift.val err: 0.058

1,27731,194
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 194
atom chem shift.ambiguity code: 6
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
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 8.298
atom chem shift.val err: 0.006

1,27731,195
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 195
atom chem shift.ambiguity code: 6
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
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 54.447
atom chem shift.val err: 0.031

1,27731,196
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 196
atom chem shift.ambiguity code: 6
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: 69
atom chem shift.comp id: HIS
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 119.359
atom chem shift.val err: 0.058

1,27731,197
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 197
atom chem shift.ambiguity code: 6
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: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 9.00
atom chem shift.val err: 0.006

1,27731,198
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 198
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 70
atom chem shift.comp id: LYS
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 57.803
atom chem shift.val err: 0.031

1,27731,199
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 199
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 70
atom chem shift.comp id: LYS
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 125.467
atom chem shift.val err: 0.058

1,27731,200
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 200
atom chem shift.ambiguity code: 6
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
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atom chem shift.auth comp id: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 8.809
atom chem shift.val err: 0.006

1,27731,201
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 201
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 50.872
atom chem shift.val err: 0.031

1,27731,202
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 202
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 71
atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 126.57
atom chem shift.val err: 0.058

1,27731,203
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 203
atom chem shift.ambiguity code: 6
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
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 8.518
atom chem shift.val err: 0.006

1,27731,204
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 204
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 60.045
atom chem shift.val err: 0.031

1,27731,205
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 205
atom chem shift.ambiguity code: 6
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: 72
atom chem shift.comp id: ILE
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 119.314
atom chem shift.val err: 0.058

1,27731,206
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 206
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 8.459
atom chem shift.val err: 0.006

1,27731,207
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 207
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 46.036
atom chem shift.val err: 0.031

1,27731,208
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 208
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 73
atom chem shift.comp id: GLY
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 112.443
atom chem shift.val err: 0.058

1,27731,209
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 209
atom chem shift.ambiguity code: 6
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: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 8.741
atom chem shift.val err: 0.006

1,27731,210
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 210
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 74
atom chem shift.comp id: THR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 63.527
atom chem shift.val err: 0.031

1,27731,211
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 211
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 74
atom chem shift.comp id: THR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 118.68
atom chem shift.val err: 0.058

1,27731,212
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 212
atom chem shift.ambiguity code: 6
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: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 9.265
atom chem shift.val err: 0.006

1,27731,213
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 213
atom chem shift.ambiguity code: 6
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: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 61.377
atom chem shift.val err: 0.031

1,27731,214
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 214
atom chem shift.ambiguity code: 6
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: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 126.965
atom chem shift.val err: 0.058

1,27731,215
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 215
atom chem shift.ambiguity code: 6
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: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 8.205
atom chem shift.val err: 0.006

1,27731,216
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 216
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 52.435
atom chem shift.val err: 0.031

1,27731,217
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 217
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 125.138
atom chem shift.val err: 0.058

1,27731,218
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 218
atom chem shift.ambiguity code: 6
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: 77
atom chem shift.comp id: VAL
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 9.31
atom chem shift.val err: 0.006

1,27731,219
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 219
atom chem shift.ambiguity code: 6
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: 77
atom chem shift.comp id: VAL
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 59.879
atom chem shift.val err: 0.031

1,27731,220
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 220
atom chem shift.ambiguity code: 6
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: 77
atom chem shift.comp id: VAL
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 121.624
atom chem shift.val err: 0.058

1,27731,221
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 221
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLY
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 8.81
atom chem shift.val err: 0.006

1,27731,222
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 222
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLY
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 45.508
atom chem shift.val err: 0.031

1,27731,223
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 223
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLY
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 113.866
atom chem shift.val err: 0.058

1,27731,224
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 224
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 79
atom chem shift.comp id: PRO
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 62.899
atom chem shift.val err: 0.031

1,27731,225
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 225
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 80
atom chem shift.comp id: THR
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 8.015
atom chem shift.val err: 0.006

1,27731,226
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 226
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 80
atom chem shift.comp id: THR
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 56.745
atom chem shift.val err: 0.031

1,27731,227
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 227
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 80
atom chem shift.comp id: THR
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 118.678
atom chem shift.val err: 0.058

1,27731,228
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 228
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 81
atom chem shift.comp id: PRO
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 63.133
atom chem shift.val err: 0.031

1,27731,229
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 229
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: ALA
atom chem shift.auth seq id: 82
atom chem shift.comp id: ALA
atom chem shift.comp index id: 82
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 7.355
atom chem shift.val err: 0.006

1,27731,230
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 230
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: ALA
atom chem shift.auth seq id: 82
atom chem shift.comp id: ALA
atom chem shift.comp index id: 82
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 51.129
atom chem shift.val err: 0.031

1,27731,231
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 231
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: ALA
atom chem shift.auth seq id: 82
atom chem shift.comp id: ALA
atom chem shift.comp index id: 82
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 119.599
atom chem shift.val err: 0.058

1,27731,232
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 232
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: ASN
atom chem shift.auth seq id: 83
atom chem shift.comp id: ASN
atom chem shift.comp index id: 83
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 8.787
atom chem shift.val err: 0.006

1,27731,233
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 233
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: ASN
atom chem shift.auth seq id: 83
atom chem shift.comp id: ASN
atom chem shift.comp index id: 83
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 53.6
atom chem shift.val err: 0.031

1,27731,234
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 234
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: ASN
atom chem shift.auth seq id: 83
atom chem shift.comp id: ASN
atom chem shift.comp index id: 83
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 121.216
atom chem shift.val err: 0.058

1,27731,235
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 235
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: ILE
atom chem shift.auth seq id: 84
atom chem shift.comp id: ILE
atom chem shift.comp index id: 84
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 9.513
atom chem shift.val err: 0.006

1,27731,236
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 236
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: ILE
atom chem shift.auth seq id: 84
atom chem shift.comp id: ILE
atom chem shift.comp index id: 84
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 59.547
atom chem shift.val err: 0.031

1,27731,237
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 237
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: 84
atom chem shift.comp id: ILE
atom chem shift.comp index id: 84
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 120.742
atom chem shift.val err: 0.058

1,27731,238
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 238
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: ILE
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 8.773
atom chem shift.val err: 0.006

1,27731,239
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 239
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: ILE
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 57.8
atom chem shift.val err: 0.031

1,27731,240
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 240
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: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 122.001
atom chem shift.val err: 0.058

1,27731,241
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 241
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: GLY
atom chem shift.auth seq id: 86
atom chem shift.comp id: GLY
atom chem shift.comp index id: 86
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 8.143
atom chem shift.val err: 0.006

1,27731,242
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 242
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: GLY
atom chem shift.auth seq id: 86
atom chem shift.comp id: GLY
atom chem shift.comp index id: 86
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 43.414
atom chem shift.val err: 0.031

1,27731,243
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 243
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: GLY
atom chem shift.auth seq id: 86
atom chem shift.comp id: GLY
atom chem shift.comp index id: 86
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 113.866
atom chem shift.val err: 0.058

1,27731,244
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 244
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: ARG
atom chem shift.auth seq id: 87
atom chem shift.comp id: ARG
atom chem shift.comp index id: 87
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 9.366
atom chem shift.val err: 0.006

1,27731,245
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 245
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 87
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 61.299
atom chem shift.val err: 0.031

1,27731,246
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth seq id: 87
atom chem shift.comp id: ARG
atom chem shift.comp index id: 87
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 116.691
atom chem shift.val err: 0.058

1,27731,247
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 88
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 7.98
atom chem shift.val err: 0.006

1,27731,248
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ASN
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atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 56.97
atom chem shift.val err: 0.031

1,27731,249
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 88
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 115.736
atom chem shift.val err: 0.058

1,27731,250
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 6.919
atom chem shift.val err: 0.006

1,27731,251
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 89
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 55.238
atom chem shift.val err: 0.031

1,27731,252
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 89
atom chem shift.details: A
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 116.587
atom chem shift.val err: 0.058

1,27731,253
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 8.27
atom chem shift.val err: 0.006

1,27731,254
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 57.84
atom chem shift.val err: 0.031

1,27731,255
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 90
atom chem shift.val: 120.218
atom chem shift.val err: 0.058

1,27731,256
type: atom chem shift
of datablock: info:bmrb/27731
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: 7.842
atom chem shift.val err: 0.006

1,27731,257
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 63.524
atom chem shift.val err: 0.031

1,27731,258
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 106.194
atom chem shift.val err: 0.058

1,27731,259
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.692
atom chem shift.val err: 0.006

1,27731,260
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 57.818
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1,27731,261
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 120.072
atom chem shift.val err: 0.058

1,27731,262
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 93
atom chem shift.val: 6.928
atom chem shift.val err: 0.006

1,27731,263
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 60.418
atom chem shift.val err: 0.031

1,27731,264
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.val err: 0.058

1,27731,265
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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1,27731,266
type: atom chem shift
of datablock: info:bmrb/27731
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atom chem shift.val: 45.95
atom chem shift.val err: 0.031

1,27731,267
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
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atom chem shift.val: 108.167
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1,27731,268
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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1,27731,269
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 51.417
atom chem shift.val err: 0.031

1,27731,270
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 120.38
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1,27731,271
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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1,27731,272
type: atom chem shift
of datablock: info:bmrb/27731
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atom chem shift.val: 59.423
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1,27731,273
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
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1,27731,274
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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1,27731,275
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
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1,27731,276
type: atom chem shift
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1,27731,277
type: atom chem shift
of datablock: info:bmrb/27731
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1,27731,278
type: atom chem shift
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1,27731,279
type: atom chem shift
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1,27731,280
type: atom chem shift
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1,27731,281
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 281
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: PHE
atom chem shift.auth seq id: 99
atom chem shift.comp id: PHE
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 58.947
atom chem shift.val err: 0.031

1,27731,282
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 282
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: PHE
atom chem shift.auth seq id: 99
atom chem shift.comp id: PHE
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 122.22
atom chem shift.val err: 0.058

1,27731,283
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 283
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 2
atom chem shift.comp id: GLN
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 55.461
atom chem shift.val err: 0.031

1,27731,284
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 284
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 3
atom chem shift.comp id: ILE
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 9.472
atom chem shift.val err: 0.006

1,27731,285
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 285
atom chem shift.ambiguity code: 6
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
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 60.292
atom chem shift.val err: 0.031

1,27731,286
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 286
atom chem shift.ambiguity code: 6
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: 3
atom chem shift.comp id: ILE
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 127.775
atom chem shift.val err: 0.058

1,27731,287
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 287
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 4
atom chem shift.comp id: THR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 8.353
atom chem shift.val err: 0.006

1,27731,288
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 288
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 4
atom chem shift.comp id: THR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 61.031
atom chem shift.val err: 0.031

1,27731,289
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 289
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 4
atom chem shift.comp id: THR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 115.44
atom chem shift.val err: 0.058

1,27731,290
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 290
atom chem shift.ambiguity code: 6
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: 5
atom chem shift.comp id: LEU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 9.168
atom chem shift.val err: 0.006

1,27731,291
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 291
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 5
atom chem shift.comp id: LEU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 54.088
atom chem shift.val err: 0.031

1,27731,292
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 292
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 5
atom chem shift.comp id: LEU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 116.903
atom chem shift.val err: 0.058

1,27731,293
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 293
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 53.498
atom chem shift.val err: 0.031

1,27731,294
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 294
atom chem shift.ambiguity code: 6
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: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 8.812
atom chem shift.val err: 0.006

1,27731,295
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 295
atom chem shift.ambiguity code: 6
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: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 56.187
atom chem shift.val err: 0.031

1,27731,296
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 296
atom chem shift.ambiguity code: 6
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: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 121.038
atom chem shift.val err: 0.058

1,27731,297
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 297
atom chem shift.ambiguity code: 6
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: PRO
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 61.635
atom chem shift.val err: 0.031

1,27731,298
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 298
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 10
atom chem shift.comp id: ILE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 7.607
atom chem shift.val err: 0.006

1,27731,299
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 299
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 10
atom chem shift.comp id: ILE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 59.428
atom chem shift.val err: 0.031

1,27731,300
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 300
atom chem shift.ambiguity code: 6
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: 10
atom chem shift.comp id: ILE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 126.653
atom chem shift.val err: 0.058

1,27731,301
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 301
atom chem shift.ambiguity code: 6
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: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 9.119
atom chem shift.val err: 0.006

1,27731,302
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 302
atom chem shift.ambiguity code: 6
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: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 58.485
atom chem shift.val err: 0.031

1,27731,303
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 303
atom chem shift.ambiguity code: 6
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: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 120.131
atom chem shift.val err: 0.058

1,27731,304
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 304
atom chem shift.ambiguity code: 6
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
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atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 12
atom chem shift.comp id: THR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 8.485
atom chem shift.val err: 0.006

1,27731,305
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 305
atom chem shift.ambiguity code: 6
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.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 62.726
atom chem shift.val err: 0.031

1,27731,306
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 306
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 12
atom chem shift.comp id: THR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 116.292
atom chem shift.val err: 0.058

1,27731,307
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 307
atom chem shift.ambiguity code: 6
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
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 13
atom chem shift.comp id: ILE
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 9.276
atom chem shift.val err: 0.006

1,27731,308
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 308
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 13
atom chem shift.comp id: ILE
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 58.014
atom chem shift.val err: 0.031

1,27731,309
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 309
atom chem shift.ambiguity code: 6
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: 13
atom chem shift.comp id: ILE
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 120.692
atom chem shift.val err: 0.058

1,27731,310
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 310
atom chem shift.ambiguity code: 6
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
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 15
atom chem shift.comp id: ILE
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 8.915
atom chem shift.val err: 0.006

1,27731,311
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 311
atom chem shift.ambiguity code: 6
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: 15
atom chem shift.comp id: ILE
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 124.779
atom chem shift.val err: 0.058

1,27731,312
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 312
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLY
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 9.731
atom chem shift.val err: 0.006

1,27731,313
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 313
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLY
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 118.25
atom chem shift.val err: 0.058

1,27731,314
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 314
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 45.088
atom chem shift.val err: 0.031

1,27731,315
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 315
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 18
atom chem shift.comp id: GLN
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 8.045
atom chem shift.val err: 0.006

1,27731,316
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 316
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 18
atom chem shift.comp id: GLN
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 54.341
atom chem shift.val err: 0.031

1,27731,317
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 317
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 18
atom chem shift.comp id: GLN
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 120.07
atom chem shift.val err: 0.058

1,27731,318
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 318
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLU
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 55.136
atom chem shift.val err: 0.031

1,27731,319
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 319
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: ALA
atom chem shift.auth seq id: 22
atom chem shift.comp id: ALA
atom chem shift.comp index id: 22
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 9.268
atom chem shift.val err: 0.006

1,27731,320
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 320
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: ALA
atom chem shift.auth seq id: 22
atom chem shift.comp id: ALA
atom chem shift.comp index id: 22
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 50.897
atom chem shift.val err: 0.031

1,27731,321
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 321
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: ALA
atom chem shift.auth seq id: 22
atom chem shift.comp id: ALA
atom chem shift.comp index id: 22
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 123.981
atom chem shift.val err: 0.058

1,27731,322
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 322
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: 23
atom chem shift.comp id: LEU
atom chem shift.comp index id: 23
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 8.629
atom chem shift.val err: 0.006

1,27731,323
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 323
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: LEU
atom chem shift.auth seq id: 23
atom chem shift.comp id: LEU
atom chem shift.comp index id: 23
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 53.582
atom chem shift.val err: 0.031

1,27731,324
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 324
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: LEU
atom chem shift.auth seq id: 23
atom chem shift.comp id: LEU
atom chem shift.comp index id: 23
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 119.697
atom chem shift.val err: 0.058

1,27731,325
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 325
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: 24
atom chem shift.comp id: LEU
atom chem shift.comp index id: 24
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 8.299
atom chem shift.val err: 0.006

1,27731,326
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 326
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: LEU
atom chem shift.auth seq id: 24
atom chem shift.comp id: LEU
atom chem shift.comp index id: 24
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 54.736
atom chem shift.val err: 0.031

1,27731,327
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 327
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: LEU
atom chem shift.auth seq id: 24
atom chem shift.comp id: LEU
atom chem shift.comp index id: 24
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 121.708
atom chem shift.val err: 0.058

1,27731,328
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 328
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: ASP
atom chem shift.auth seq id: 25
atom chem shift.comp id: ASP
atom chem shift.comp index id: 25
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 8.798
atom chem shift.val err: 0.006

1,27731,329
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 329
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: ASP
atom chem shift.auth seq id: 25
atom chem shift.comp id: ASP
atom chem shift.comp index id: 25
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 53.098
atom chem shift.val err: 0.031

1,27731,330
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 330
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: ASP
atom chem shift.auth seq id: 25
atom chem shift.comp id: ASP
atom chem shift.comp index id: 25
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 127.013
atom chem shift.val err: 0.058

1,27731,331
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 331
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: THR
atom chem shift.auth seq id: 26
atom chem shift.comp id: THR
atom chem shift.comp index id: 26
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 8.393
atom chem shift.val err: 0.006

1,27731,332
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 332
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: THR
atom chem shift.auth seq id: 26
atom chem shift.comp id: THR
atom chem shift.comp index id: 26
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 64.662
atom chem shift.val err: 0.031

1,27731,333
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 333
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: THR
atom chem shift.auth seq id: 26
atom chem shift.comp id: THR
atom chem shift.comp index id: 26
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 112.599
atom chem shift.val err: 0.058

1,27731,334
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 334
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: GLY
atom chem shift.auth seq id: 27
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 9.369
atom chem shift.val err: 0.006

1,27731,335
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 335
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: GLY
atom chem shift.auth seq id: 27
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 44.971
atom chem shift.val err: 0.031

1,27731,336
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 336
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: GLY
atom chem shift.auth seq id: 27
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 109.149
atom chem shift.val err: 0.058

1,27731,337
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 337
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: ALA
atom chem shift.auth seq id: 28
atom chem shift.comp id: ALA
atom chem shift.comp index id: 28
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 6.884
atom chem shift.val err: 0.006

1,27731,338
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 338
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: ALA
atom chem shift.auth seq id: 28
atom chem shift.comp id: ALA
atom chem shift.comp index id: 28
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 49.221
atom chem shift.val err: 0.031

1,27731,339
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 339
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: ALA
atom chem shift.auth seq id: 28
atom chem shift.comp id: ALA
atom chem shift.comp index id: 28
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 124.453
atom chem shift.val err: 0.058

1,27731,340
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 340
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
atom chem shift.comp index id: 29
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 8.369
atom chem shift.val err: 0.006

1,27731,341
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 341
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
atom chem shift.comp index id: 29
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 58.264
atom chem shift.val err: 0.031

1,27731,342
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 342
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
atom chem shift.comp index id: 29
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 124.166
atom chem shift.val err: 0.058

1,27731,343
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 343
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: ASP
atom chem shift.auth seq id: 30
atom chem shift.comp id: ASP
atom chem shift.comp index id: 30
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 7.196
atom chem shift.val err: 0.006

1,27731,344
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 344
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: ASP
atom chem shift.auth seq id: 30
atom chem shift.comp id: ASP
atom chem shift.comp index id: 30
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 52.354
atom chem shift.val err: 0.031

1,27731,345
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 345
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: ASP
atom chem shift.auth seq id: 30
atom chem shift.comp id: ASP
atom chem shift.comp index id: 30
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 113.309
atom chem shift.val err: 0.058

1,27731,346
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 346
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: THR
atom chem shift.auth seq id: 31
atom chem shift.comp id: THR
atom chem shift.comp index id: 31
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 7.659
atom chem shift.val err: 0.006

1,27731,347
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 347
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: THR
atom chem shift.auth seq id: 31
atom chem shift.comp id: THR
atom chem shift.comp index id: 31
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 63.816
atom chem shift.val err: 0.031

1,27731,348
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 348
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: THR
atom chem shift.auth seq id: 31
atom chem shift.comp id: THR
atom chem shift.comp index id: 31
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 119.233
atom chem shift.val err: 0.058

1,27731,349
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 349
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.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 9.14
atom chem shift.val err: 0.006

1,27731,350
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 350
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.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 59.856
atom chem shift.val err: 0.031

1,27731,351
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 351
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.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 128.11
atom chem shift.val err: 0.058

1,27731,352
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 352
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: ILE
atom chem shift.auth seq id: 33
atom chem shift.comp id: ILE
atom chem shift.comp index id: 33
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 9.222
atom chem shift.val err: 0.006

1,27731,353
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 353
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: ILE
atom chem shift.auth seq id: 33
atom chem shift.comp id: ILE
atom chem shift.comp index id: 33
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 56.829
atom chem shift.val err: 0.031

1,27731,354
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 354
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: 33
atom chem shift.comp id: ILE
atom chem shift.comp index id: 33
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 125.896
atom chem shift.val err: 0.058

1,27731,355
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 355
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: GLU
atom chem shift.auth seq id: 34
atom chem shift.comp id: GLU
atom chem shift.comp index id: 34
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 7.965
atom chem shift.val err: 0.006

1,27731,356
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 356
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
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 34
atom chem shift.comp id: GLU
atom chem shift.comp index id: 34
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 55.276
atom chem shift.val err: 0.031

1,27731,357
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 357
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: GLU
atom chem shift.auth seq id: 34
atom chem shift.comp id: GLU
atom chem shift.comp index id: 34
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 119.913
atom chem shift.val err: 0.058

1,27731,358
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 358
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 7.036
atom chem shift.val err: 0.006

1,27731,359
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 359
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: GLU
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 58.3
atom chem shift.val err: 0.031

1,27731,360
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 360
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: GLU
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 115.362
atom chem shift.val err: 0.058

1,27731,361
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 361
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: MET
atom chem shift.auth seq id: 36
atom chem shift.comp id: MET
atom chem shift.comp index id: 36
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 6.964
atom chem shift.val err: 0.006

1,27731,362
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 362
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: MET
atom chem shift.auth seq id: 36
atom chem shift.comp id: MET
atom chem shift.comp index id: 36
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 54.706
atom chem shift.val err: 0.031

1,27731,363
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 363
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: MET
atom chem shift.auth seq id: 36
atom chem shift.comp id: MET
atom chem shift.comp index id: 36
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 120.732
atom chem shift.val err: 0.058

1,27731,364
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 364
atom chem shift.ambiguity code: 6
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: ASN
atom chem shift.auth seq id: 37
atom chem shift.comp id: ASN
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 8.641
atom chem shift.val err: 0.006

1,27731,365
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 365
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 37
atom chem shift.comp id: ASN
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 52.637
atom chem shift.val err: 0.031

1,27731,366
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 366
atom chem shift.ambiguity code: 6
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: ASN
atom chem shift.auth seq id: 37
atom chem shift.comp id: ASN
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 118.768
atom chem shift.val err: 0.058

1,27731,367
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 367
atom chem shift.ambiguity code: 6
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
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 38
atom chem shift.comp id: LEU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 7.412
atom chem shift.val err: 0.006

1,27731,368
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 368
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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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: 38
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 51.773
atom chem shift.val err: 0.031

1,27731,369
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 369
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 38
atom chem shift.comp id: LEU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 125.006
atom chem shift.val err: 0.058

1,27731,370
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 370
atom chem shift.ambiguity code: 6
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: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 8.386
atom chem shift.val err: 0.006

1,27731,371
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 371
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 44.281
atom chem shift.val err: 0.031

1,27731,372
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 372
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 40
atom chem shift.comp id: GLY
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 106.075
atom chem shift.val err: 0.058

1,27731,373
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 373
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 8.412
atom chem shift.val err: 0.006

1,27731,374
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 374
atom chem shift.ambiguity code: 6
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: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 56.159
atom chem shift.val err: 0.031

1,27731,375
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 375
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 41
atom chem shift.comp id: LYS
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 119.34
atom chem shift.val err: 0.058

1,27731,376
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 376
atom chem shift.ambiguity code: 6
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: TRP
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 7.38
atom chem shift.val err: 0.006

1,27731,377
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 377
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: TRP
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 53.702
atom chem shift.val err: 0.031

1,27731,378
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 378
atom chem shift.ambiguity code: 6
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: TRP
atom chem shift.auth seq id: 42
atom chem shift.comp id: TRP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 117.768
atom chem shift.val err: 0.058

1,27731,379
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 379
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 8.282
atom chem shift.val err: 0.006

1,27731,380
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 380
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 52.838
atom chem shift.val err: 0.031

1,27731,381
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 381
atom chem shift.ambiguity code: 6
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: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 117.895
atom chem shift.val err: 0.058

1,27731,382
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 382
atom chem shift.ambiguity code: 6
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: PRO
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 63.266
atom chem shift.val err: 0.031

1,27731,383
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 383
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 45
atom chem shift.comp id: LYS
atom chem shift.comp index id: 45
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 8.633
atom chem shift.val err: 0.006

1,27731,384
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 384
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
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 45
atom chem shift.comp id: LYS
atom chem shift.comp index id: 45
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 55.246
atom chem shift.val err: 0.031

1,27731,385
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 385
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: LYS
atom chem shift.auth seq id: 45
atom chem shift.comp id: LYS
atom chem shift.comp index id: 45
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 122.33
atom chem shift.val err: 0.058

1,27731,386
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 386
atom chem shift.ambiguity code: 1
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atom chem shift.auth atom id: H
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 46
atom chem shift.comp id: MET
atom chem shift.comp index id: 46
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 8.437
atom chem shift.val err: 0.006

1,27731,387
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 46
atom chem shift.comp id: MET
atom chem shift.comp index id: 46
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 54.135
atom chem shift.val err: 0.031

1,27731,388
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 388
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: MET
atom chem shift.auth seq id: 46
atom chem shift.comp id: MET
atom chem shift.comp index id: 46
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 122.39
atom chem shift.val err: 0.058

1,27731,389
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 389
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: ILE
atom chem shift.auth seq id: 47
atom chem shift.comp id: ILE
atom chem shift.comp index id: 47
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 8.819
atom chem shift.val err: 0.006

1,27731,390
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 390
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: ILE
atom chem shift.auth seq id: 47
atom chem shift.comp id: ILE
atom chem shift.comp index id: 47
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 59.673
atom chem shift.val err: 0.031

1,27731,391
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 391
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: 47
atom chem shift.comp id: ILE
atom chem shift.comp index id: 47
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 118.504
atom chem shift.val err: 0.058

1,27731,392
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 392
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: 48
atom chem shift.comp id: VAL
atom chem shift.comp index id: 48
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 8.411
atom chem shift.val err: 0.006

1,27731,393
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 393
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: 48
atom chem shift.comp id: VAL
atom chem shift.comp index id: 48
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 61.291
atom chem shift.val err: 0.031

1,27731,394
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 394
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: 48
atom chem shift.comp id: VAL
atom chem shift.comp index id: 48
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 120.919
atom chem shift.val err: 0.058

1,27731,395
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 395
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: GLY
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLY
atom chem shift.comp index id: 49
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 7.881
atom chem shift.val err: 0.006

1,27731,396
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 396
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: GLY
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLY
atom chem shift.comp index id: 49
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 45.135
atom chem shift.val err: 0.031

1,27731,397
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 397
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: GLY
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLY
atom chem shift.comp index id: 49
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 111.629
atom chem shift.val err: 0.058

1,27731,398
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 398
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: GLY
atom chem shift.auth seq id: 52
atom chem shift.comp id: GLY
atom chem shift.comp index id: 52
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 7.26
atom chem shift.val err: 0.006

1,27731,399
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 399
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: GLY
atom chem shift.auth seq id: 52
atom chem shift.comp id: GLY
atom chem shift.comp index id: 52
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 44.367
atom chem shift.val err: 0.031

1,27731,400
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 400
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: GLY
atom chem shift.auth seq id: 52
atom chem shift.comp id: GLY
atom chem shift.comp index id: 52
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 105.229
atom chem shift.val err: 0.058

1,27731,401
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 401
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: PHE
atom chem shift.auth seq id: 53
atom chem shift.comp id: PHE
atom chem shift.comp index id: 53
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 8.031
atom chem shift.val err: 0.006

1,27731,402
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 402
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: PHE
atom chem shift.auth seq id: 53
atom chem shift.comp id: PHE
atom chem shift.comp index id: 53
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 56.008
atom chem shift.val err: 0.031

1,27731,403
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 403
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: PHE
atom chem shift.auth seq id: 53
atom chem shift.comp id: PHE
atom chem shift.comp index id: 53
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 119.251
atom chem shift.val err: 0.058

1,27731,404
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 404
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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 54
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 9.002
atom chem shift.val err: 0.006

1,27731,405
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 405
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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 54
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 51.108
atom chem shift.val err: 0.031

1,27731,406
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 406
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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 54
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 121.701
atom chem shift.val err: 0.058

1,27731,407
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 407
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: LYS
atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 8.612
atom chem shift.val err: 0.006

1,27731,408
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 408
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: LYS
atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 56.616
atom chem shift.val err: 0.031

1,27731,409
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 409
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: LYS
atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 123.944
atom chem shift.val err: 0.058

1,27731,410
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 410
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: 56
atom chem shift.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 8.755
atom chem shift.val err: 0.006

1,27731,411
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 411
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: 56
atom chem shift.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 58.344
atom chem shift.val err: 0.031

1,27731,412
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 412
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: 56
atom chem shift.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 116.443
atom chem shift.val err: 0.058

1,27731,413
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 413
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: ARG
atom chem shift.auth seq id: 57
atom chem shift.comp id: ARG
atom chem shift.comp index id: 57
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 9.101
atom chem shift.val err: 0.006

1,27731,414
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 414
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: ARG
atom chem shift.auth seq id: 57
atom chem shift.comp id: ARG
atom chem shift.comp index id: 57
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 55.395
atom chem shift.val err: 0.031

1,27731,415
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 415
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: ARG
atom chem shift.auth seq id: 57
atom chem shift.comp id: ARG
atom chem shift.comp index id: 57
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 119.697
atom chem shift.val err: 0.058

1,27731,416
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 416
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: GLN
atom chem shift.auth seq id: 58
atom chem shift.comp id: GLN
atom chem shift.comp index id: 58
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 9.77
atom chem shift.val err: 0.006

1,27731,417
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 417
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: GLN
atom chem shift.auth seq id: 58
atom chem shift.comp id: GLN
atom chem shift.comp index id: 58
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 56.217
atom chem shift.val err: 0.031

1,27731,418
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 418
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: GLN
atom chem shift.auth seq id: 58
atom chem shift.comp id: GLN
atom chem shift.comp index id: 58
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 123.649
atom chem shift.val err: 0.058

1,27731,419
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 419
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: TYR
atom chem shift.auth seq id: 59
atom chem shift.comp id: TYR
atom chem shift.comp index id: 59
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 9.264
atom chem shift.val err: 0.006

1,27731,420
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 420
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: TYR
atom chem shift.auth seq id: 59
atom chem shift.comp id: TYR
atom chem shift.comp index id: 59
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 57.427
atom chem shift.val err: 0.031

1,27731,421
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 421
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: TYR
atom chem shift.auth seq id: 59
atom chem shift.comp id: TYR
atom chem shift.comp index id: 59
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 129.31
atom chem shift.val err: 0.058

1,27731,422
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 422
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: ASP
atom chem shift.auth seq id: 60
atom chem shift.comp id: ASP
atom chem shift.comp index id: 60
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 8.98
atom chem shift.val err: 0.006

1,27731,423
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 423
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: ASP
atom chem shift.auth seq id: 60
atom chem shift.comp id: ASP
atom chem shift.comp index id: 60
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 53.732
atom chem shift.val err: 0.031

1,27731,424
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 424
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: ASP
atom chem shift.auth seq id: 60
atom chem shift.comp id: ASP
atom chem shift.comp index id: 60
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 120.499
atom chem shift.val err: 0.058

1,27731,425
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 425
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: GLN
atom chem shift.auth seq id: 61
atom chem shift.comp id: GLN
atom chem shift.comp index id: 61
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 8.932
atom chem shift.val err: 0.006

1,27731,426
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 426
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: GLN
atom chem shift.auth seq id: 61
atom chem shift.comp id: GLN
atom chem shift.comp index id: 61
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 56.252
atom chem shift.val err: 0.031

1,27731,427
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 427
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: GLN
atom chem shift.auth seq id: 61
atom chem shift.comp id: GLN
atom chem shift.comp index id: 61
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 114.075
atom chem shift.val err: 0.058

1,27731,428
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 428
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: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 8.769
atom chem shift.val err: 0.006

1,27731,429
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 429
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: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 55.188
atom chem shift.val err: 0.031

1,27731,430
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 430
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: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 122.309
atom chem shift.val err: 0.058

1,27731,431
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 431
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 63
atom chem shift.comp id: PRO
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 61.901
atom chem shift.val err: 0.031

1,27731,432
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 432
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 64
atom chem shift.comp id: ILE
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 8.857
atom chem shift.val err: 0.006

1,27731,433
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 433
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 64
atom chem shift.comp id: ILE
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 59.256
atom chem shift.val err: 0.031

1,27731,434
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 434
atom chem shift.ambiguity code: 6
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: 64
atom chem shift.comp id: ILE
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 123.699
atom chem shift.val err: 0.058

1,27731,435
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 435
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLU
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 8.271
atom chem shift.val err: 0.006

1,27731,436
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 436
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLU
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 54.157
atom chem shift.val err: 0.031

1,27731,437
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 437
atom chem shift.ambiguity code: 6
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: GLU
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLU
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 125.507
atom chem shift.val err: 0.058

1,27731,438
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 438
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 66
atom chem shift.comp id: ILE
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 9.197
atom chem shift.val err: 0.006

1,27731,439
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 439
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 66
atom chem shift.comp id: ILE
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 60.355
atom chem shift.val err: 0.031

1,27731,440
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 440
atom chem shift.ambiguity code: 6
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: 66
atom chem shift.comp id: ILE
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 125.149
atom chem shift.val err: 0.058

1,27731,441
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 441
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 71
atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 50.88
atom chem shift.val err: 0.031

1,27731,442
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 442
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 72
atom chem shift.comp id: ILE
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 8.449
atom chem shift.val err: 0.006

1,27731,443
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 443
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 72
atom chem shift.comp id: ILE
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 60.011
atom chem shift.val err: 0.031

1,27731,444
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 444
atom chem shift.ambiguity code: 6
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: 72
atom chem shift.comp id: ILE
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 119.49
atom chem shift.val err: 0.058

1,27731,445
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 445
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 73
atom chem shift.comp id: GLY
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 8.462
atom chem shift.val err: 0.006

1,27731,446
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 446
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 73
atom chem shift.comp id: GLY
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 46.002
atom chem shift.val err: 0.031

1,27731,447
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 447
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 73
atom chem shift.comp id: GLY
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 112.645
atom chem shift.val err: 0.058

1,27731,448
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 448
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 74
atom chem shift.comp id: THR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 8.63
atom chem shift.val err: 0.006

1,27731,449
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 449
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 74
atom chem shift.comp id: THR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 63.832
atom chem shift.val err: 0.031

1,27731,450
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 450
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 74
atom chem shift.comp id: THR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 118.795
atom chem shift.val err: 0.058

1,27731,451
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 451
atom chem shift.ambiguity code: 6
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: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 8.985
atom chem shift.val err: 0.006

1,27731,452
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 452
atom chem shift.ambiguity code: 6
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: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 61.392
atom chem shift.val err: 0.031

1,27731,453
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 453
atom chem shift.ambiguity code: 6
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: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 124.103
atom chem shift.val err: 0.058

1,27731,454
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 454
atom chem shift.ambiguity code: 6
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: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 8.417
atom chem shift.val err: 0.006

1,27731,455
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 455
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 52.3
atom chem shift.val err: 0.031

1,27731,456
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 456
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 125.159
atom chem shift.val err: 0.058

1,27731,457
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 457
atom chem shift.ambiguity code: 6
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: 77
atom chem shift.comp id: VAL
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 9.242
atom chem shift.val err: 0.006

1,27731,458
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 458
atom chem shift.ambiguity code: 6
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: 77
atom chem shift.comp id: VAL
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 59.779
atom chem shift.val err: 0.031

1,27731,459
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 459
atom chem shift.ambiguity code: 6
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: 77
atom chem shift.comp id: VAL
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 121.778
atom chem shift.val err: 0.058

1,27731,460
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 460
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLY
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 8.993
atom chem shift.val err: 0.006

1,27731,461
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 461
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLY
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 45.524
atom chem shift.val err: 0.031

1,27731,462
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 462
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLY
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 115.593
atom chem shift.val err: 0.058

1,27731,463
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 463
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 79
atom chem shift.comp id: PRO
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 62.975
atom chem shift.val err: 0.031

1,27731,464
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 464
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 80
atom chem shift.comp id: THR
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 7.731
atom chem shift.val err: 0.006

1,27731,465
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 465
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 80
atom chem shift.comp id: THR
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 56.679
atom chem shift.val err: 0.031

1,27731,466
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 466
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 80
atom chem shift.comp id: THR
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 119.699
atom chem shift.val err: 0.058

1,27731,467
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 467
atom chem shift.ambiguity code: 6
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: PRO
atom chem shift.auth seq id: 81
atom chem shift.comp id: PRO
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 63.587
atom chem shift.val err: 0.031

1,27731,468
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 468
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: ALA
atom chem shift.auth seq id: 82
atom chem shift.comp id: ALA
atom chem shift.comp index id: 82
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 7.467
atom chem shift.val err: 0.006

1,27731,469
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 469
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: ALA
atom chem shift.auth seq id: 82
atom chem shift.comp id: ALA
atom chem shift.comp index id: 82
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 51.136
atom chem shift.val err: 0.031

1,27731,470
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 470
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: ALA
atom chem shift.auth seq id: 82
atom chem shift.comp id: ALA
atom chem shift.comp index id: 82
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 119.648
atom chem shift.val err: 0.058

1,27731,471
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 471
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: ASN
atom chem shift.auth seq id: 83
atom chem shift.comp id: ASN
atom chem shift.comp index id: 83
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 8.61
atom chem shift.val err: 0.006

1,27731,472
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 472
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: ASN
atom chem shift.auth seq id: 83
atom chem shift.comp id: ASN
atom chem shift.comp index id: 83
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 53.671
atom chem shift.val err: 0.031

1,27731,473
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 473
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: ASN
atom chem shift.auth seq id: 83
atom chem shift.comp id: ASN
atom chem shift.comp index id: 83
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 119.853
atom chem shift.val err: 0.058

1,27731,474
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 474
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: ILE
atom chem shift.auth seq id: 84
atom chem shift.comp id: ILE
atom chem shift.comp index id: 84
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 9.725
atom chem shift.val err: 0.006

1,27731,475
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 475
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: ILE
atom chem shift.auth seq id: 84
atom chem shift.comp id: ILE
atom chem shift.comp index id: 84
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 61.278
atom chem shift.val err: 0.031

1,27731,476
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 476
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: 84
atom chem shift.comp id: ILE
atom chem shift.comp index id: 84
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 127.222
atom chem shift.val err: 0.058

1,27731,477
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 477
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: ILE
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 9.328
atom chem shift.val err: 0.006

1,27731,478
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 478
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: ILE
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 58.238
atom chem shift.val err: 0.031

1,27731,479
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 479
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: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 125.805
atom chem shift.val err: 0.058

1,27731,480
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 480
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: GLY
atom chem shift.auth seq id: 86
atom chem shift.comp id: GLY
atom chem shift.comp index id: 86
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 8.10
atom chem shift.val err: 0.006

1,27731,481
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 481
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: GLY
atom chem shift.auth seq id: 86
atom chem shift.comp id: GLY
atom chem shift.comp index id: 86
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 43.477
atom chem shift.val err: 0.031

1,27731,482
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 482
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: GLY
atom chem shift.auth seq id: 86
atom chem shift.comp id: GLY
atom chem shift.comp index id: 86
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 112.679
atom chem shift.val err: 0.058

1,27731,483
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 483
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: ARG
atom chem shift.auth seq id: 87
atom chem shift.comp id: ARG
atom chem shift.comp index id: 87
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 9.196
atom chem shift.val err: 0.006

1,27731,484
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 484
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: ARG
atom chem shift.auth seq id: 87
atom chem shift.comp id: ARG
atom chem shift.comp index id: 87
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 61.291
atom chem shift.val err: 0.031

1,27731,485
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 485
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: ARG
atom chem shift.auth seq id: 87
atom chem shift.comp id: ARG
atom chem shift.comp index id: 87
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 116.815
atom chem shift.val err: 0.058

1,27731,486
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 486
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: ASN
atom chem shift.auth seq id: 88
atom chem shift.comp id: ASN
atom chem shift.comp index id: 88
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 7.914
atom chem shift.val err: 0.006

1,27731,487
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 487
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: ASN
atom chem shift.auth seq id: 88
atom chem shift.comp id: ASN
atom chem shift.comp index id: 88
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 56.735
atom chem shift.val err: 0.031

1,27731,488
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 488
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: ASN
atom chem shift.auth seq id: 88
atom chem shift.comp id: ASN
atom chem shift.comp index id: 88
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 115.121
atom chem shift.val err: 0.058

1,27731,489
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 489
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: 89
atom chem shift.comp id: LEU
atom chem shift.comp index id: 89
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 6.972
atom chem shift.val err: 0.006

1,27731,490
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 490
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: LEU
atom chem shift.auth seq id: 89
atom chem shift.comp id: LEU
atom chem shift.comp index id: 89
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 55.168
atom chem shift.val err: 0.031

1,27731,491
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 491
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: LEU
atom chem shift.auth seq id: 89
atom chem shift.comp id: LEU
atom chem shift.comp index id: 89
atom chem shift.details: B
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 115.96
atom chem shift.val err: 0.058

1,27731,492
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 492
atom chem shift.ambiguity code: 6
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: 90
atom chem shift.comp id: LEU
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 8.349
atom chem shift.val err: 0.006

1,27731,493
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 493
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 90
atom chem shift.comp id: LEU
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 57.901
atom chem shift.val err: 0.031

1,27731,494
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 494
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 90
atom chem shift.comp id: LEU
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 120.155
atom chem shift.val err: 0.058

1,27731,495
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 495
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 91
atom chem shift.comp id: THR
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 7.787
atom chem shift.val err: 0.006

1,27731,496
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 496
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 91
atom chem shift.comp id: THR
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 63.518
atom chem shift.val err: 0.031

1,27731,497
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 497
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 91
atom chem shift.comp id: THR
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 105.999
atom chem shift.val err: 0.058

1,27731,498
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 498
atom chem shift.ambiguity code: 6
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: GLN
atom chem shift.auth seq id: 92
atom chem shift.comp id: GLN
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 57.835
atom chem shift.val err: 0.031

1,27731,499
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 499
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 6.955
atom chem shift.val err: 0.006

1,27731,500
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 500
atom chem shift.ambiguity code: 6
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: ILE
atom chem shift.auth seq id: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 60.386
atom chem shift.val err: 0.031

1,27731,501
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 501
atom chem shift.ambiguity code: 6
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: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 108.744
atom chem shift.val err: 0.058

1,27731,502
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 502
atom chem shift.ambiguity code: 6
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: GLY
atom chem shift.auth seq id: 94
atom chem shift.comp id: GLY
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 45.988
atom chem shift.val err: 0.031

1,27731,503
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 503
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 95
atom chem shift.comp id: ALA
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 7.43
atom chem shift.val err: 0.006

1,27731,504
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 504
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 95
atom chem shift.comp id: ALA
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 51.475
atom chem shift.val err: 0.031

1,27731,505
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 505
atom chem shift.ambiguity code: 6
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: ALA
atom chem shift.auth seq id: 95
atom chem shift.comp id: ALA
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 120.274
atom chem shift.val err: 0.058

1,27731,506
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 506
atom chem shift.ambiguity code: 6
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: THR
atom chem shift.auth seq id: 96
atom chem shift.comp id: THR
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 59.387
atom chem shift.val err: 0.031

1,27731,507
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 507
atom chem shift.ambiguity code: 6
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: 97
atom chem shift.comp id: LEU
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 8.503
atom chem shift.val err: 0.006

1,27731,508
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 508
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 97
atom chem shift.comp id: LEU
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 53.206
atom chem shift.val err: 0.031

1,27731,509
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 509
atom chem shift.ambiguity code: 6
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: LEU
atom chem shift.auth seq id: 97
atom chem shift.comp id: LEU
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 121.562
atom chem shift.val err: 0.058

1,27731,510
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 510
atom chem shift.ambiguity code: 6
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: ASN
atom chem shift.auth seq id: 98
atom chem shift.comp id: ASN
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 52.736
atom chem shift.val err: 0.031

1,27731,511
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 511
atom chem shift.ambiguity code: 6
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: PHE
atom chem shift.auth seq id: 99
atom chem shift.comp id: PHE
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 7.99
atom chem shift.val err: 0.006

1,27731,512
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 512
atom chem shift.ambiguity code: 6
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: PHE
atom chem shift.auth seq id: 99
atom chem shift.comp id: PHE
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 58.996
atom chem shift.val err: 0.031

1,27731,513
type: atom chem shift
of datablock: info:bmrb/27731
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27731
atom chem shift.id: 513
atom chem shift.ambiguity code: 6
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: PHE
atom chem shift.auth seq id: 99
atom chem shift.comp id: PHE
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 121.892
atom chem shift.val err: 0.058

27731,017
type: chem comp
of datablock: info:bmrb/27731
reference to entry: entry
chem comp.entry id: 27731
chem comp.id: 017
chem comp.ambiguous flag: no
chem comp.aromatic: yes
chem comp.bmrb code: 017
chem comp.formal charge: 0
chem comp.formula: C27 H37 N3 O7 S
chem comp.formula weight: 547.664
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/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: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
chem comp.number atoms all: 75
chem comp.number atoms nh: 38
chem comp.pdb code: 017
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_017
chem comp.synonyms: Darunavir, TMC114, UIC-94017
chem comp.three letter code: 017
chem comp.type: NON-POLYMER

info:pdb-ccd/017

pdb-ccd:017

info:pdb.ligand/017

pdb.ligand:017

N1,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: N1
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: N1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 21.091
chem comp atom.model cartn x ideal: -2.266
chem comp atom.model cartn y: 28.735
chem comp atom.model cartn y ideal: 5.752
chem comp atom.model cartn z: 14.067
chem comp atom.model cartn z ideal: 0.374
chem comp atom.pdb atom id: N1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C2,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C2
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.540
chem comp atom.model cartn x ideal: -2.761
chem comp atom.model cartn y: 27.566
chem comp atom.model cartn y ideal: 4.491
chem comp atom.model cartn z: 14.519
chem comp atom.model cartn z ideal: 0.036
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C3
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C3
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.188
chem comp atom.model cartn x ideal: -2.068
chem comp atom.model cartn y: 27.333
chem comp atom.model cartn y ideal: 3.688
chem comp atom.model cartn z: 14.210
chem comp atom.model cartn z ideal: -0.861
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C4
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.626
chem comp atom.model cartn x ideal: -2.560
chem comp atom.model cartn y: 26.160
chem comp atom.model cartn y ideal: 2.441
chem comp atom.model cartn z: 14.675
chem comp atom.model cartn z ideal: -1.192
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C5
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.384
chem comp atom.model cartn x ideal: -3.742
chem comp atom.model cartn y: 25.216
chem comp atom.model cartn y ideal: 1.992
chem comp atom.model cartn z: 15.345
chem comp atom.model cartn z ideal: -0.632
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C6
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.711
chem comp atom.model cartn x ideal: -4.434
chem comp atom.model cartn y: 25.423
chem comp atom.model cartn y ideal: 2.788
chem comp atom.model cartn z: 15.721
chem comp atom.model cartn z ideal: 0.262
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

C7,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C7
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C7
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 21.263
chem comp atom.model cartn x ideal: -3.945
chem comp atom.model cartn y: 26.646
chem comp atom.model cartn y ideal: 4.034
chem comp atom.model cartn z: 15.292
chem comp atom.model cartn z ideal: 0.601
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

S8,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: S8
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: S8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: S8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.450
chem comp atom.model cartn x ideal: -4.367
chem comp atom.model cartn y: 23.799
chem comp atom.model cartn y ideal: 0.400
chem comp atom.model cartn z: 15.993
chem comp atom.model cartn z ideal: -1.058
chem comp atom.pdb atom id: S8
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: S

O9,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: O9
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: O9
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O9
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.257
chem comp atom.model cartn x ideal: -5.765
chem comp atom.model cartn y: 23.466
chem comp atom.model cartn y ideal: 0.438
chem comp atom.model cartn z: 15.069
chem comp atom.model cartn z ideal: -0.809
chem comp atom.pdb atom id: O9
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O10,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: O10
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
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: 19.481
chem comp atom.model cartn x ideal: -3.812
chem comp atom.model cartn y: 22.638
chem comp atom.model cartn y ideal: 0.077
chem comp atom.model cartn z: 16.240
chem comp atom.model cartn z ideal: -2.326
chem comp atom.pdb atom id: O10
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

N11,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: N11
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: N11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.794
chem comp atom.model cartn x ideal: -3.729
chem comp atom.model cartn y: 24.157
chem comp atom.model cartn y ideal: -0.682
chem comp atom.model cartn z: 17.584
chem comp atom.model cartn z ideal: 0.021
chem comp atom.pdb atom id: N11
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C12,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C12
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C12
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C12
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.783
chem comp atom.model cartn x ideal: -4.439
chem comp atom.model cartn y: 24.426
chem comp atom.model cartn y ideal: -0.977
chem comp atom.model cartn z: 18.632
chem comp atom.model cartn z ideal: 1.268
chem comp atom.pdb atom id: C12
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C13,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C13
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C13
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C13
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.400
chem comp atom.model cartn x ideal: -5.331
chem comp atom.model cartn y: 23.856
chem comp atom.model cartn y ideal: -2.205
chem comp atom.model cartn z: 20.006
chem comp atom.model cartn z ideal: 1.069
chem comp atom.pdb atom id: C13
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C14,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C14
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C14
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C14
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.368
chem comp atom.model cartn x ideal: -4.457
chem comp atom.model cartn y: 22.352
chem comp atom.model cartn y ideal: -3.433
chem comp atom.model cartn z: 19.893
chem comp atom.model cartn z ideal: 0.808
chem comp atom.pdb atom id: C14
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C15,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C15
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C15
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C15
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.503
chem comp atom.model cartn x ideal: -6.171
chem comp atom.model cartn y: 24.335
chem comp atom.model cartn y ideal: -2.434
chem comp atom.model cartn z: 20.920
chem comp atom.model cartn z ideal: 2.327
chem comp atom.pdb atom id: C15
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C16,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C16
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C16
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C16
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.505
chem comp atom.model cartn x ideal: -2.456
chem comp atom.model cartn y: 24.894
chem comp atom.model cartn y ideal: -1.344
chem comp atom.model cartn z: 17.564
chem comp atom.model cartn z ideal: -0.271
chem comp atom.pdb atom id: C16
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C17,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C17
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C17
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C17
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.394
chem comp atom.model cartn x ideal: -1.312
chem comp atom.model cartn y: 23.964
chem comp atom.model cartn y ideal: -0.556
chem comp atom.model cartn z: 18.158
chem comp atom.model cartn z ideal: 0.371
chem comp atom.pdb atom id: C17
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O18,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: O18
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: O18
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O18
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.232
chem comp atom.model cartn x ideal: -1.444
chem comp atom.model cartn y: 24.764
chem comp atom.model cartn y ideal: -0.600
chem comp atom.model cartn z: 18.409
chem comp atom.model cartn z ideal: 1.793
chem comp atom.pdb atom id: O18
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C19,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C19
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C19
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C19
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.013
chem comp atom.model cartn x ideal: 0.026
chem comp atom.model cartn y: 22.828
chem comp atom.model cartn y ideal: -1.175
chem comp atom.model cartn z: 17.177
chem comp atom.model cartn z ideal: -0.037
chem comp atom.pdb atom id: C19
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: S
chem comp atom.type symbol: C

N20,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: N20
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: N20
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N20
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.132
chem comp atom.model cartn x ideal: 1.123
chem comp atom.model cartn y: 21.941
chem comp atom.model cartn y ideal: -0.352
chem comp atom.model cartn z: 17.887
chem comp atom.model cartn z ideal: 0.479
chem comp atom.pdb atom id: N20
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C21,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C21
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C21
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.488
chem comp atom.model cartn x ideal: 2.325
chem comp atom.model cartn y: 20.675
chem comp atom.model cartn y ideal: -0.372
chem comp atom.model cartn z: 18.223
chem comp atom.model cartn z ideal: -0.130
chem comp atom.pdb atom id: C21
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O22,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: O22
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: O22
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O22
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.587
chem comp atom.model cartn x ideal: 2.499
chem comp atom.model cartn y: 20.086
chem comp atom.model cartn y ideal: -1.073
chem comp atom.model cartn z: 17.955
chem comp atom.model cartn z ideal: -1.107
chem comp atom.pdb atom id: O22
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O23,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: O23
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: O23
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O23
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.421
chem comp atom.model cartn x ideal: 3.332
chem comp atom.model cartn y: 20.066
chem comp atom.model cartn y ideal: 0.384
chem comp atom.model cartn z: 18.952
chem comp atom.model cartn z ideal: 0.345
chem comp atom.pdb atom id: O23
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C24,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C24
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C24
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C24
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.505
chem comp atom.model cartn x ideal: 4.599
chem comp atom.model cartn y: 18.602
chem comp atom.model cartn y ideal: 0.313
chem comp atom.model cartn z: 19.102
chem comp atom.model cartn z ideal: -0.361
chem comp atom.pdb atom id: C24
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C25,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C25
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C25
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C25
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.839
chem comp atom.model cartn x ideal: 4.667
chem comp atom.model cartn y: 18.351
chem comp atom.model cartn y ideal: 1.397
chem comp atom.model cartn z: 20.485
chem comp atom.model cartn z ideal: -1.452
chem comp atom.pdb atom id: C25
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O26,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: O26
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: O26
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O26
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.412
chem comp atom.model cartn x ideal: 5.720
chem comp atom.model cartn y: 18.470
chem comp atom.model cartn y ideal: 2.302
chem comp atom.model cartn z: 20.284
chem comp atom.model cartn z ideal: -1.092
chem comp atom.pdb atom id: O26
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C27,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C27
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C27
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C27
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.220
chem comp atom.model cartn x ideal: 6.661
chem comp atom.model cartn y: 17.978
chem comp atom.model cartn y ideal: 1.584
chem comp atom.model cartn z: 18.968
chem comp atom.model cartn z ideal: -0.271
chem comp atom.pdb atom id: C27
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O28,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: O28
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: O28
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O28
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.297
chem comp atom.model cartn x ideal: 7.251
chem comp atom.model cartn y: 18.806
chem comp atom.model cartn y ideal: 2.499
chem comp atom.model cartn z: 18.291
chem comp atom.model cartn z ideal: 0.663
chem comp atom.pdb atom id: O28
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C29,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C29
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C29
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C29
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.042
chem comp atom.model cartn x ideal: 6.457
chem comp atom.model cartn y: 19.444
chem comp atom.model cartn y ideal: 2.582
chem comp atom.model cartn z: 17.241
chem comp atom.model cartn z ideal: 1.851
chem comp atom.pdb atom id: C29
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C30,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C30
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C30
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C30
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.131
chem comp atom.model cartn x ideal: 5.261
chem comp atom.model cartn y: 18.432
chem comp atom.model cartn y ideal: 1.622
chem comp atom.model cartn z: 16.818
chem comp atom.model cartn z ideal: 1.681
chem comp atom.pdb atom id: C30
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C31,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C31
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C31
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C31
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.470
chem comp atom.model cartn x ideal: 5.766
chem comp atom.model cartn y: 17.887
chem comp atom.model cartn y ideal: 0.642
chem comp atom.model cartn z: 18.213
chem comp atom.model cartn z ideal: 0.593
chem comp atom.pdb atom id: C31
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C32,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C32
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C32
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C32
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.294
chem comp atom.model cartn x ideal: 0.132
chem comp atom.model cartn y: 23.285
chem comp atom.model cartn y ideal: -2.588
chem comp atom.model cartn z: 15.896
chem comp atom.model cartn z ideal: 0.542
chem comp atom.pdb atom id: C32
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C33,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C33
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C33
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C33
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.549
chem comp atom.model cartn x ideal: 2.571
chem comp atom.model cartn y: 21.750
chem comp atom.model cartn y ideal: -3.112
chem comp atom.model cartn z: 14.881
chem comp atom.model cartn z ideal: 0.752
chem comp atom.pdb atom id: C33
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C34,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C34
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C34
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C34
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.148
chem comp atom.model cartn x ideal: 3.727
chem comp atom.model cartn y: 20.661
chem comp atom.model cartn y ideal: -3.713
chem comp atom.model cartn z: 14.069
chem comp atom.model cartn z ideal: 0.292
chem comp atom.pdb atom id: C34
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C35,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C35
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C35
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C35
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.119
chem comp atom.model cartn x ideal: 3.706
chem comp atom.model cartn y: 19.933
chem comp atom.model cartn y ideal: -4.444
chem comp atom.model cartn z: 13.391
chem comp atom.model cartn z ideal: -0.881
chem comp atom.pdb atom id: C35
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C36,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C36
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C36
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C36
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.471
chem comp atom.model cartn x ideal: 2.529
chem comp atom.model cartn y: 20.240
chem comp atom.model cartn y ideal: -4.576
chem comp atom.model cartn z: 13.517
chem comp atom.model cartn z ideal: -1.593
chem comp atom.pdb atom id: C36
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C37,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C37
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C37
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C37
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.860
chem comp atom.model cartn x ideal: 1.372
chem comp atom.model cartn y: 21.326
chem comp atom.model cartn y ideal: -3.974
chem comp atom.model cartn z: 14.314
chem comp atom.model cartn z ideal: -1.132
chem comp atom.pdb atom id: C37
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C38,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: C38
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: C38
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C38
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.902
chem comp atom.model cartn x ideal: 1.393
chem comp atom.model cartn y: 22.114
chem comp atom.model cartn y ideal: -3.243
chem comp atom.model cartn z: 14.968
chem comp atom.model cartn z ideal: 0.040
chem comp atom.pdb atom id: C38
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: C

H11,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H11
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 22.049
chem comp atom.model cartn x ideal: -1.437
chem comp atom.model cartn y: 28.783
chem comp atom.model cartn y ideal: 6.069
chem comp atom.model cartn z: 14.349
chem comp atom.model cartn z ideal: -0.018
chem comp atom.pdb atom id: H11
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H12,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H12
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H12
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H12
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 21.035
chem comp atom.model cartn x ideal: -2.753
chem comp atom.model cartn y: 28.766
chem comp atom.model cartn y ideal: 6.314
chem comp atom.model cartn z: 13.069
chem comp atom.model cartn z ideal: 0.998
chem comp atom.pdb atom id: H12
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H3
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
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: 18.613
chem comp atom.model cartn x ideal: -1.145
chem comp atom.model cartn y: 28.042
chem comp atom.model cartn y ideal: 4.039
chem comp atom.model cartn z: 13.633
chem comp atom.model cartn z ideal: -1.299
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H4
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
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: 17.574
chem comp atom.model cartn x ideal: -2.022
chem comp atom.model cartn y: 25.976
chem comp atom.model cartn y ideal: 1.817
chem comp atom.model cartn z: 14.512
chem comp atom.model cartn z ideal: -1.890
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H6,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H6
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 21.272
chem comp atom.model cartn x ideal: -5.357
chem comp atom.model cartn y: 24.702
chem comp atom.model cartn y ideal: 2.434
chem comp atom.model cartn z: 16.297
chem comp atom.model cartn z ideal: 0.697
chem comp atom.pdb atom id: H6
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H7,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H7
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H7
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 22.280
chem comp atom.model cartn x ideal: -4.484
chem comp atom.model cartn y: 26.884
chem comp atom.model cartn y ideal: 4.654
chem comp atom.model cartn z: 15.568
chem comp atom.model cartn z ideal: 1.303
chem comp atom.pdb atom id: H7
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H121,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H121
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H121
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H121
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.736
chem comp atom.model cartn x ideal: -3.716
chem comp atom.model cartn y: 23.969
chem comp atom.model cartn y ideal: -1.178
chem comp atom.model cartn z: 18.327
chem comp atom.model cartn z ideal: 2.059
chem comp atom.pdb atom id: H121
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H122,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H122
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H122
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H122
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.886
chem comp atom.model cartn x ideal: -5.055
chem comp atom.model cartn y: 25.517
chem comp atom.model cartn y ideal: -0.122
chem comp atom.model cartn z: 18.732
chem comp atom.model cartn z ideal: 1.547
chem comp atom.pdb atom id: H122
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H13,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H13
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H13
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H13
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.415
chem comp atom.model cartn x ideal: -5.991
chem comp atom.model cartn y: 24.173
chem comp atom.model cartn y ideal: -2.040
chem comp atom.model cartn z: 20.380
chem comp atom.model cartn z ideal: 0.217
chem comp atom.pdb atom id: H13
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H141,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H141
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H141
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H141
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.096
chem comp atom.model cartn x ideal: -3.959
chem comp atom.model cartn y: 21.916
chem comp atom.model cartn y ideal: -3.326
chem comp atom.model cartn z: 20.866
chem comp atom.model cartn z ideal: -0.156
chem comp atom.pdb atom id: H141
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H142,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H142
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H142
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H142
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.624
chem comp atom.model cartn x ideal: -3.708
chem comp atom.model cartn y: 22.057
chem comp atom.model cartn y ideal: -3.520
chem comp atom.model cartn z: 19.138
chem comp atom.model cartn z ideal: 1.595
chem comp atom.pdb atom id: H142
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H143,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H143
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H143
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H143
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.361
chem comp atom.model cartn x ideal: -5.081
chem comp atom.model cartn y: 21.986
chem comp atom.model cartn y ideal: -4.327
chem comp atom.model cartn z: 19.593
chem comp atom.model cartn z ideal: 0.798
chem comp atom.pdb atom id: H143
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H151,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H151
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H151
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H151
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.316
chem comp atom.model cartn x ideal: -6.793
chem comp atom.model cartn y: 23.973
chem comp atom.model cartn y ideal: -1.559
chem comp atom.model cartn z: 21.942
chem comp atom.model cartn z ideal: 2.513
chem comp atom.pdb atom id: H151
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H152,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H152
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H152
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H152
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.469
chem comp atom.model cartn x ideal: -6.806
chem comp atom.model cartn y: 23.946
chem comp atom.model cartn y ideal: -3.309
chem comp atom.model cartn z: 20.564
chem comp atom.model cartn z ideal: 2.185
chem comp atom.pdb atom id: H152
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H153,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H153
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H153
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H153
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.528
chem comp atom.model cartn x ideal: -5.511
chem comp atom.model cartn y: 25.435
chem comp atom.model cartn y ideal: -2.599
chem comp atom.model cartn z: 20.919
chem comp atom.model cartn z ideal: 3.179
chem comp atom.pdb atom id: H153
chem comp atom.pdbx ordinal: 53
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H161,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H161
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H161
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H161
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.589
chem comp atom.model cartn x ideal: -2.471
chem comp atom.model cartn y: 25.809
chem comp atom.model cartn y ideal: -2.356
chem comp atom.model cartn z: 18.169
chem comp atom.model cartn z ideal: 0.133
chem comp atom.pdb atom id: H161
chem comp atom.pdbx ordinal: 54
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H162,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H162
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H162
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H162
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.248
chem comp atom.model cartn x ideal: -2.307
chem comp atom.model cartn y: 25.168
chem comp atom.model cartn y ideal: -1.386
chem comp atom.model cartn z: 16.530
chem comp atom.model cartn z ideal: -1.350
chem comp atom.pdb atom id: H162
chem comp atom.pdbx ordinal: 55
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H17,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H17
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H17
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H17
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.777
chem comp atom.model cartn x ideal: -1.351
chem comp atom.model cartn y: 23.503
chem comp atom.model cartn y ideal: 0.480
chem comp atom.model cartn z: 19.081
chem comp atom.model cartn z ideal: 0.035
chem comp atom.pdb atom id: H17
chem comp atom.pdbx ordinal: 56
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H18,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H18
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H18
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H18
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.543
chem comp atom.model cartn x ideal: -1.418
chem comp atom.model cartn y: 24.218
chem comp atom.model cartn y ideal: -1.493
chem comp atom.model cartn z: 18.771
chem comp atom.model cartn z ideal: 2.163
chem comp atom.pdb atom id: H18
chem comp atom.pdbx ordinal: 57
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H19,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H19
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H19
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H19
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.953
chem comp atom.model cartn x ideal: 0.088
chem comp atom.model cartn y: 22.362
chem comp atom.model cartn y ideal: -1.223
chem comp atom.model cartn z: 16.845
chem comp atom.model cartn z ideal: -1.124
chem comp atom.pdb atom id: H19
chem comp atom.pdbx ordinal: 58
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H20,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H20
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H20
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H20
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.223
chem comp atom.model cartn x ideal: 0.983
chem comp atom.model cartn y: 22.269
chem comp atom.model cartn y ideal: 0.207
chem comp atom.model cartn z: 18.143
chem comp atom.model cartn z ideal: 1.260
chem comp atom.pdb atom id: H20
chem comp atom.pdbx ordinal: 59
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H24,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H24
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H24
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H24
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.538
chem comp atom.model cartn x ideal: 4.733
chem comp atom.model cartn y: 18.274
chem comp atom.model cartn y ideal: -0.676
chem comp atom.model cartn z: 18.914
chem comp atom.model cartn z ideal: -0.800
chem comp atom.pdb atom id: H24
chem comp atom.pdbx ordinal: 60
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H251,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H251
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H251
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H251
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.092
chem comp atom.model cartn x ideal: 4.886
chem comp atom.model cartn y: 17.347
chem comp atom.model cartn y ideal: 0.939
chem comp atom.model cartn z: 20.857
chem comp atom.model cartn z ideal: -2.416
chem comp atom.pdb atom id: H251
chem comp atom.pdbx ordinal: 61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H252,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H252
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H252
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H252
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.187
chem comp atom.model cartn x ideal: 3.719
chem comp atom.model cartn y: 19.093
chem comp atom.model cartn y ideal: 1.933
chem comp atom.model cartn z: 21.219
chem comp atom.model cartn z ideal: -1.501
chem comp atom.pdb atom id: H252
chem comp atom.pdbx ordinal: 62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H27,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H27
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H27
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H27
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.825
chem comp atom.model cartn x ideal: 7.406
chem comp atom.model cartn y: 16.955
chem comp atom.model cartn y ideal: 1.049
chem comp atom.model cartn z: 19.047
chem comp atom.model cartn z ideal: -0.859
chem comp atom.pdb atom id: H27
chem comp atom.pdbx ordinal: 63
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H291,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H291
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H291
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H291
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.386
chem comp atom.model cartn x ideal: 7.051
chem comp atom.model cartn y: 19.686
chem comp atom.model cartn y ideal: 2.283
chem comp atom.model cartn z: 16.392
chem comp atom.model cartn z ideal: 2.714
chem comp atom.pdb atom id: H291
chem comp atom.pdbx ordinal: 64
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H292,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H292
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H292
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H292
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.499
chem comp atom.model cartn x ideal: 6.096
chem comp atom.model cartn y: 20.378
chem comp atom.model cartn y ideal: 3.601
chem comp atom.model cartn z: 17.601
chem comp atom.model cartn z ideal: 1.985
chem comp atom.pdb atom id: H292
chem comp atom.pdbx ordinal: 65
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H301,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H301
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H301
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H301
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.767
chem comp atom.model cartn x ideal: 5.054
chem comp atom.model cartn y: 17.661
chem comp atom.model cartn y ideal: 1.093
chem comp atom.model cartn z: 16.123
chem comp atom.model cartn z ideal: 2.612
chem comp atom.pdb atom id: H301
chem comp atom.pdbx ordinal: 66
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H302,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H302
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H302
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H302
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.988
chem comp atom.model cartn x ideal: 4.378
chem comp atom.model cartn y: 18.897
chem comp atom.model cartn y ideal: 2.161
chem comp atom.model cartn z: 16.309
chem comp atom.model cartn z ideal: 1.337
chem comp atom.pdb atom id: H302
chem comp atom.pdbx ordinal: 67
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H31,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H31
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H31
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H31
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.920
chem comp atom.model cartn x ideal: 6.282
chem comp atom.model cartn y: 16.904
chem comp atom.model cartn y ideal: -0.238
chem comp atom.model cartn z: 18.007
chem comp atom.model cartn z ideal: 0.977
chem comp atom.pdb atom id: H31
chem comp atom.pdbx ordinal: 68
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H321,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H321
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H321
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H321
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.376
chem comp atom.model cartn x ideal: 0.160
chem comp atom.model cartn y: 23.816
chem comp atom.model cartn y ideal: -2.533
chem comp atom.model cartn z: 16.187
chem comp atom.model cartn z ideal: 1.630
chem comp atom.pdb atom id: H321
chem comp atom.pdbx ordinal: 69
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H322,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H322
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 0
chem comp atom.alt atom id: H322
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H322
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.969
chem comp atom.model cartn x ideal: -0.732
chem comp atom.model cartn y: 23.953
chem comp atom.model cartn y ideal: -3.174
chem comp atom.model cartn z: 15.341
chem comp atom.model cartn z ideal: 0.229
chem comp atom.pdb atom id: H322
chem comp atom.pdbx ordinal: 70
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H33,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H33
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H33
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H33
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.808
chem comp atom.model cartn x ideal: 2.586
chem comp atom.model cartn y: 22.305
chem comp atom.model cartn y ideal: -2.544
chem comp atom.model cartn z: 15.438
chem comp atom.model cartn z ideal: 1.671
chem comp atom.pdb atom id: H33
chem comp atom.pdbx ordinal: 71
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H34,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H34
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H34
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H34
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.104
chem comp atom.model cartn x ideal: 4.648
chem comp atom.model cartn y: 20.400
chem comp atom.model cartn y ideal: -3.610
chem comp atom.model cartn z: 13.978
chem comp atom.model cartn z ideal: 0.848
chem comp atom.pdb atom id: H34
chem comp atom.pdbx ordinal: 72
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H35,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H35
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H35
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H35
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.819
chem comp atom.model cartn x ideal: 4.610
chem comp atom.model cartn y: 19.114
chem comp atom.model cartn y ideal: -4.913
chem comp atom.model cartn z: 12.754
chem comp atom.model cartn z ideal: -1.241
chem comp atom.pdb atom id: H35
chem comp atom.pdbx ordinal: 73
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H36,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H36
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H36
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H36
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.214
chem comp atom.model cartn x ideal: 2.513
chem comp atom.model cartn y: 19.647
chem comp atom.model cartn y ideal: -5.146
chem comp atom.model cartn z: 13.005
chem comp atom.model cartn z ideal: -2.509
chem comp atom.pdb atom id: H36
chem comp atom.pdbx ordinal: 74
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H37,017,27731
type: chem comp atom
of datablock: info:bmrb/27731
reference to entry: entry
chem comp atom.atom id: H37
chem comp atom.comp id: 017
chem comp atom.entry id: 27731
chem comp atom.align: 1
chem comp atom.alt atom id: H37
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H37
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.909
chem comp atom.model cartn x ideal: 0.452
chem comp atom.model cartn y: 21.558
chem comp atom.model cartn y ideal: -4.077
chem comp atom.model cartn z: 14.425
chem comp atom.model cartn z ideal: -1.689
chem comp atom.pdb atom id: H37
chem comp atom.pdbx ordinal: 75
chem comp atom.stereo config: N
chem comp atom.type symbol: H

017,27731,1
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,2
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: H11
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,3
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: H12
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,4
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 4
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,5
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 5
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C7
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,6
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 6
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,7
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,8
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 8
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,9
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,10
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 10
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,11
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: S8
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,12
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 12
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,13
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H6
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,14
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H7
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,15
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: S8
chem comp bond.atom id 2: O9
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,16
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: S8
chem comp bond.atom id 2: O10
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,17
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 17
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: S8
chem comp bond.atom id 2: N11
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,18
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: C12
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,19
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: C16
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,20
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C13
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,21
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H121
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,22
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H122
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,23
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C14
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,24
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C15
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,25
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H13
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,26
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H141
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,27
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H142
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,28
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H143
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,29
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H151
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,30
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H152
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,31
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H153
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,32
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C17
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,33
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H161
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,34
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H162
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,35
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: O18
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,36
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 36
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C19
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,37
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H17
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,38
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 38
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O18
chem comp bond.atom id 2: H18
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,39
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: N20
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,40
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C32
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,41
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H19
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,42
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N20
chem comp bond.atom id 2: C21
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,43
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N20
chem comp bond.atom id 2: H20
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,44
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: O22
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,45
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: O23
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,46
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O23
chem comp bond.atom id 2: C24
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,47
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C25
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,48
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 48
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C31
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,49
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H24
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,50
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 50
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: O26
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,51
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H251
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,52
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 52
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H252
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,53
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O26
chem comp bond.atom id 2: C27
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,54
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: O28
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,55
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C31
chem comp bond.ordinal: 55
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,56
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H27
chem comp bond.ordinal: 56
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,57
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O28
chem comp bond.atom id 2: C29
chem comp bond.ordinal: 57
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,58
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C30
chem comp bond.ordinal: 58
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,59
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H291
chem comp bond.ordinal: 59
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,60
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 60
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H292
chem comp bond.ordinal: 60
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,61
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C31
chem comp bond.ordinal: 61
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,62
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 62
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H301
chem comp bond.ordinal: 62
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,63
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H302
chem comp bond.ordinal: 63
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,64
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 64
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: H31
chem comp bond.ordinal: 64
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,65
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: C38
chem comp bond.ordinal: 65
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,66
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 66
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H321
chem comp bond.ordinal: 66
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,67
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C32
chem comp bond.atom id 2: H322
chem comp bond.ordinal: 67
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,68
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 68
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: C34
chem comp bond.ordinal: 68
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,69
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 69
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: C38
chem comp bond.ordinal: 69
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,70
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C33
chem comp bond.atom id 2: H33
chem comp bond.ordinal: 70
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,71
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 71
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: C35
chem comp bond.ordinal: 71
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,72
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C34
chem comp bond.atom id 2: H34
chem comp bond.ordinal: 72
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,73
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 73
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: C36
chem comp bond.ordinal: 73
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,74
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: H35
chem comp bond.ordinal: 74
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,75
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 75
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: C37
chem comp bond.ordinal: 75
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,76
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: H36
chem comp bond.ordinal: 76
chem comp bond.stereo config: N
chem comp bond.value order: SING

017,27731,77
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 77
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: C38
chem comp bond.ordinal: 77
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

017,27731,78
type: chem comp bond
of datablock: info:bmrb/27731
chem comp bond.comp id: 017
chem comp bond.entry id: 27731
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: H37
chem comp bond.ordinal: 78
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr27731/chem_comp_descriptor/017,CC(C)CN(CC(C(Cc1ccccc1)NC(%3DO)OC2COC3C2CCO3)O)S(%3DO)(%3DO)c4ccc(cc4),27731,OECHEM,1.7.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27731
chem comp descriptor.comp id: 017
chem comp descriptor.descriptor: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)N
chem comp descriptor.entry id: 27731
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr27731/chem_comp_descriptor/017,CC(C)CN(C%5BC%40%40H%5D(O)%5BC%40H%5D(Cc1ccccc1)NC(%3DO)O%5BC%40H%5D2CO%5BC%40H%5D3OCC%5BC%40%40H%5D,27731,CACTVS,3.370,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27731
chem comp descriptor.comp id: 017
chem comp descriptor.descriptor: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4ccc(N)cc4
chem comp descriptor.entry id: 27731
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr27731/chem_comp_descriptor/017,CC(C)CN(C%5BCH%5D(O)%5BCH%5D(Cc1ccccc1)NC(%3DO)O%5BCH%5D2CO%5BCH%5D3OCC%5BCH%5D23)%5BS%5D(,27731,CACTVS,3.370,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27731
chem comp descriptor.comp id: 017
chem comp descriptor.descriptor: CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)cc4
chem comp descriptor.entry id: 27731
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr27731/chem_comp_descriptor/017,CC(C)C%5BN%40%40%5D(C%5BC%40H%5D(%5BC%40H%5D(Cc1ccccc1)NC(%3DO)O%5BC%40H%5D2CO%5BC%40%40H%5D3%5BC%40H%5D2C,27731,OECHEM,1.7.0,SMILES_CANON[cell cut: 204 characters, first 200 kept]
type: chem comp descriptor
of datablock: info:bmrb/27731
chem comp descriptor.comp id: 017
chem comp descriptor.descriptor: CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N
chem comp descriptor.entry id: 27731
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES_CANONICAL

017,CJBJHOAVZSMMDJ-HEXNFIEUSA-N,27731,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27731
chem comp descriptor.comp id: 017
chem comp descriptor.descriptor: CJBJHOAVZSMMDJ-HEXNFIEUSA-N
chem comp descriptor.entry id: 27731
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr27731/chem_comp_descriptor/017,InChI%3D1S%2FC27H37N3O7S%2Fc1-18(2)15-30(38(33,27731,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27731
chem comp descriptor.comp id: 017
chem comp descriptor.descriptor: InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
chem comp descriptor.entry id: 27731
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr27731/chem_comp_descriptor/017,O%3DS(%3DO)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(%3DO)OC2COC3OCCC23)Cc4ccccc,27731,ACD,12.01,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27731
chem comp descriptor.comp id: 017
chem comp descriptor.descriptor: O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4
chem comp descriptor.entry id: 27731
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

017,27731,(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/27731
chem comp identifier.comp id: 017
chem comp identifier.entry id: 27731
chem comp identifier.identifier: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

017,27731,[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,OECHEM,1.7.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/27731
chem comp identifier.comp id: 017
chem comp identifier.entry id: 27731
chem comp identifier.identifier: [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.7.0
chem comp identifier.type: systematic name

1,27731,1
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
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.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,2
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,3
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.429
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,4
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ASP
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: 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: 277310301

1,27731,5
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,6
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
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.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,7
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.273
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: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,8
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,9
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
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: 0.273
chem shift completeness char.comp id: GLU
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: 277310301

1,27731,10
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
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: 0.273
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 277310301

1,27731,11
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.231
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 277310301

1,27731,12
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.273
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,13
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,14
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.083
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,15
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,16
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.176
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 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: 277310301

1,27731,17
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 17
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.125
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.150
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,18
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.176
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 277310301

1,27731,19
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.083
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,20
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.176
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 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: 277310301

1,27731,21
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.231
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 46
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 277310301

1,27731,22
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 22
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,23
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.273
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,24
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 24
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,25
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 25
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,26
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
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: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.000
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: 0.333
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,27
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,28
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 28
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.125
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.167
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,29
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.429
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,30
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 30
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.176
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,31
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.273
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,32
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.188
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,33
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.214
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,34
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 34
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.143
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.188
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 59
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 277310301

1,27731,35
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,36
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.214
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,37
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 37
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,38
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.083
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 277310301

1,27731,39
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 39
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 64
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,40
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 40
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
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: 0.273
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,41
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 41
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,42
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 42
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.429
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,43
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 43
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,44
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 44
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.250
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,45
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 45
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.176
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,46
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 46
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 277310301

1,27731,47
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,48
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 48
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 73
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,49
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,50
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.273
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 75
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,51
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 76
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,52
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 52
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.273
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,53
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,54
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 54
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.083
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,55
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,56
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.083
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 277310301

1,27731,57
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 57
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.429
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 82
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,58
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.273
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 83
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,59
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 84
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,60
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 60
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 85
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,61
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 61
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.083
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 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: 277310301

1,27731,62
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 62
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.214
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,63
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 63
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,64
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 64
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
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: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,65
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 65
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,66
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 66
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.125
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.150
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,67
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 67
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.176
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,68
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 68
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.188
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,69
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.083
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: 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: 277310301

1,27731,70
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 70
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
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.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,71
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 71
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.273
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,72
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 72
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
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.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,73
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 73
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,74
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 74
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.188
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,75
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 75
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
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: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,76
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 76
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,77
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 77
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,78
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 78
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.214
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,79
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 79
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.357
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.500
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.200
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 277310301

1,27731,80
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 80
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.176
chem shift completeness char.comp id: LYS
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: 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: 277310301

1,27731,81
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 81
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
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: 0.273
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,82
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 82
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.429
chem shift completeness char.comp id: ALA
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.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,83
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 83
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,84
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 84
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
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: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,85
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 85
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731,86
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 86
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 86
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,87
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 87
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.188
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 87
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,88
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 88
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.273
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 88
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,89
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 89
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 89
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,90
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 90
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 90
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,91
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 91
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 91
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,92
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 92
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.214
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 92
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,93
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 93
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 93
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,94
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 94
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 94
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 277310301

1,27731,95
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 95
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.429
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 95
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,96
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 96
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 96
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,97
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 97
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.167
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: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 97
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 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: 277310301

1,27731,98
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 98
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.273
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 0.000
chem shift completeness char.sf id: 277310301

1,27731,99
type: chem shift completeness char
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27731
chem shift completeness char.id: 99
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.500
chem shift completeness char.chem shift 13c coverage: 0.125
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.167
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 99
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 277310301

1,27731
type: chem shift completeness list
of datablock: info:bmrb/27731
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 27731
chem shift completeness list.arom chem shift 13c fraction: 0/26
chem shift completeness list.arom chem shift 15n fraction: 0/2
chem shift completeness list.arom chem shift 1h fraction: 0/28
chem shift completeness list.arom chem shift fraction: 0/56
chem shift completeness list.assigned residue coverage: 1.000
chem shift completeness list.bb chem shift 13c fraction: 99/285
chem shift completeness list.bb chem shift 15n fraction: 92/92
chem shift completeness list.bb chem shift 1h fraction: 92/203
chem shift completeness list.bb chem shift fraction: 283/580
chem shift completeness list.chem shift 13c fraction: 100/456
chem shift completeness list.chem shift 15n fraction: 92/107
chem shift completeness list.chem shift 1h fraction: 94/605
chem shift completeness list.chem shift fraction: 286/1168
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr27731_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 2/73
chem shift completeness list.methyl chem shift 1h fraction: 2/73
chem shift completeness list.methyl chem shift fraction: 4/146
chem shift completeness list.output file name: bmr27731_chem_shift_completeness.str
chem shift completeness list.queried date: 2021-08-24Z
chem shift completeness list.sc chem shift 13c fraction: 2/258
chem shift completeness list.sc chem shift 15n fraction: 0/15
chem shift completeness list.sc chem shift 1h fraction: 2/402
chem shift completeness list.sc chem shift fraction: 4/675
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: 277310301

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type: chem shift experiment
of datablock: info:bmrb/27731
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27731
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 2D 1H-15N HSQC
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

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type: chem shift experiment
of datablock: info:bmrb/27731
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27731
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 3D HNCA
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

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of datablock: info:bmrb/27731
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chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 27731
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.2514495
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: na
chem shift ref.ref type: indirect

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chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 27731
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.000000
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

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chem shift ref.atom type: N
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 27731
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.1013291
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: na
chem shift ref.ref type: indirect

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type: chem shift reference
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reference to entry: entry
chem shift reference.entry id: 27731
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference_1

1,27731,1
type: chem shift software
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chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 27731
chem shift software.software id: 1
chem shift software.method id: 0
chem shift software.software label: NMRPipe

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type: chem shift software
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chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 27731
chem shift software.software id: 2
chem shift software.method id: 0
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type: chem shift software
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chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 27731
chem shift software.software id: 3
chem shift software.method id: 0
chem shift software.software label: TOPSPIN

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type: chem shift software
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chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 27731
chem shift software.software id: 4
chem shift software.method id: 0
chem shift software.software label: Analysis

27731,1
type: citation
of datablock: info:bmrb/27731
reference to entry: entry
citation.entry id: 27731
citation.id: 1
citation.class: entry citation
citation.doi: 10.1002/pro.4013
citation.journal abbrev: Protein Sci.
citation.journal issn: 0961-8368
citation.journal issue: 3
citation.journal name full: Protein science : a publication of the Protein Society
citation.journal volume: 30
citation.page first: 571
citation.page last: 582
citation.pubmed id: 33314454
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: A synergy of activity, stability, and inhibitor-interaction of HIV-1 protease mutants evolved under drug-pressure.
citation.type: journal
citation.year: 2021

info:doi/10.1002/pro.4013

doi:10.1002/pro.4013

urn:ISSN:0961-8368

issn:0961-8368

info:pmid/33314454

pubmed:33314454

1,27731,1
type: citation author
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citation author.citation id: 1
citation author.entry id: 27731
citation author.ordinal: 1
citation author.family name: Khan
citation author.first initial: S.
citation author.given name: Shahid
citation author.middle initials: N.
citation author.pdbx name: Khan, S.N.

1,27731,2
type: citation author
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citation author.citation id: 1
citation author.entry id: 27731
citation author.ordinal: 2
citation author.family name: Persons
citation author.first initial: J.
citation author.given name: John
citation author.middle initials: D.
citation author.pdbx name: Persons, J.D.

1,27731,3
type: citation author
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citation author.citation id: 1
citation author.entry id: 27731
citation author.ordinal: 3
citation author.family name: Guerrero
citation author.first initial: M.
citation author.given name: Michel
citation author.pdbx name: Guerrero, M.

1,27731,4
type: citation author
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citation author.citation id: 1
citation author.entry id: 27731
citation author.ordinal: 4
citation author.family name: Ilina
citation author.first initial: T.
citation author.given name: Tatiana
citation author.middle initials: V.
citation author.pdbx name: Ilina, T.V.

1,27731,5
type: citation author
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citation author.citation id: 1
citation author.entry id: 27731
citation author.ordinal: 5
citation author.family name: Oda
citation author.first initial: M.
citation author.given name: Masayuki
citation author.pdbx name: Oda, M.

1,27731,6
type: citation author
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citation author.citation id: 1
citation author.entry id: 27731
citation author.ordinal: 6
citation author.family name: Ishima
citation author.first initial: R.
citation author.given name: Rieko
citation author.pdbx name: Ishima, R.

1,27731,HIV-1
type: citation keyword
of datablock: info:bmrb/27731
citation keyword.citation id: 1
citation keyword.entry id: 27731
citation keyword.keyword: HIV-1

1,27731,ITC
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 27731
citation keyword.keyword: ITC

1,27731,Inhibitor
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 27731
citation keyword.keyword: Inhibitor

1,27731,NMR
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 27731
citation keyword.keyword: NMR

1,27731,Protease
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 27731
citation keyword.keyword: Protease

1,27731,calorimetry
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citation keyword.keyword: calorimetry

1,27731,thermodynamics
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citation keyword.keyword: thermodynamics

27731,assigned chemical shifts
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data set.type: assigned_chemical_shifts
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datum.type: 13C chemical shifts
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27731,15N chemical shifts
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27731,1H chemical shifts
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27731,1
type: entity
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reference to entry: entry
entity.entry id: 27731
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 10711.50
entity.name: HIV-1 Protease
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 99
entity.paramagnetic: no
entity.parent entity id: 0
entity.polymer seq one letter code: PQITLWKRPIVTIRIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIVGIGGFAKVRQYDQIPIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF
entity.polymer seq one letter code can: PQITLWKRPIVTIRIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIVGIGGFAKVRQYDQIPIEIAGHKAIGTVLVGPTPANIIGRNLLTQIGATLNF
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: HIV-1_Protease
entity.thiol state: not present
entity.type: polymer

27731,2
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entity.id: 2
entity.bmrb code: 017
entity.formula weight: 547.664
entity.name: entity 017
entity.nonpolymer comp id: 017
entity.nonpolymer comp label: chem_comp_017
entity.number of nonpolymer components: 1
entity.parent entity id: 2
entity.polymer seq one letter code can: (017)
entity.sf category: entity
entity.sf framecode: entity_017
entity.type: non-polymer

1,27731,1
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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: HIV-1 Protease, 1
entity assembly.entity id: 1
entity assembly.entity label: HIV-1_Protease
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,27731,2
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entity assembly.conformational isomer: no
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entity assembly.entity id: 1
entity assembly.entity label: HIV-1_Protease
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1,27731,3
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entity assembly.conformational isomer: no
entity assembly.entity assembly name: ligand
entity assembly.entity id: 2
entity assembly.entity label: entity_017
entity assembly.experimental data reported: no
entity assembly.physical state: native

2,27731,(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,BMRB
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entity common name.name: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
entity common name.type: BMRB

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1,27731,3
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1,27731,39
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1,27731,40
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2,27731,BMRB
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http://bmrbpub.pdbj.org/rdf/bmr27731/entry/27731
type: entry
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entry.id: 27731
entry.accession date: 2018-12-17Z
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2018-12-17Z
entry.nmr star version: 3.2.14.0
entry.original nmr star version: 3.1
entry.original release date: 2018-12-17Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2018-12-17Z
entry.title: Inhibitor-interaction, dimerization and activity change of HIV-1 protease mutants evolved under drug-pressure
entry.type: macromolecule
entry.version type: original

27731,1
type: entry author
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27731,2
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27731,3
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27731,1
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27731,1,1
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27731,1,2
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27731,1
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27731,1
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27731,1,spectrometer 1,1
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27377,BMRB,27731
type: related entries
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related entries.relationship: HIV-1 Protease (Flap + mutant) bound to Darunavir.

info:bmrb/27377

27378,BMRB,27731
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info:bmrb/27378

27727,BMRB,27731
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related entries.relationship: Inhibitor-bound HIV-1 protease homodimer, I54

info:bmrb/27727

27731,1
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27731,1
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27731,2,1
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27731,1
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27731,1,pH
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27731,1,pressure
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27731,1,temperature
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27731,1
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27731,2
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27731,3
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27731,4
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27731,4,chemical shift assignment
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27731,Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax,1
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