info:bmrb/26973
type: datablock
references: doi:10.13018/BMR26973
alternative label: bmr26973
title: Near-complete backbone resonance assignments of acid-denatured human cytochrome c in DMSO: a prelude to studying interactions with phospholipids
datablock name: 26973
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assembly.id: 1
assembly.details: Two cysteines (C14 and C17) in a CXXCH "heme binding motif" of the protein are linked by two thioether bonds to the two vinyl groups of heme, where the histidine acts as one axial ligand to the heme iron. The covalent bonds occur at the alpha carbon of the vinyl groups, at positions 2 and 4.
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atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 8
atom chem shift.comp id: LYS
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 31.575
atom chem shift.val err: 0.079

1,26973,34
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 34
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: K
atom chem shift.auth seq id: 8
atom chem shift.comp id: LYS
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 119.021
atom chem shift.val err: 0.074

1,26973,35
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 35
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: I
atom chem shift.auth seq id: 9
atom chem shift.comp id: ILE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 7.731
atom chem shift.val err: 0.006

1,26973,36
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 36
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: I
atom chem shift.auth seq id: 9
atom chem shift.comp id: ILE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 171.414
atom chem shift.val err: 0.072

1,26973,37
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 37
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: I
atom chem shift.auth seq id: 9
atom chem shift.comp id: ILE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 57.183
atom chem shift.val err: 0.045

1,26973,38
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 38
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: I
atom chem shift.auth seq id: 9
atom chem shift.comp id: ILE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 37.463
atom chem shift.val err: 0.020

1,26973,39
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 39
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: I
atom chem shift.auth seq id: 9
atom chem shift.comp id: ILE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 116.177
atom chem shift.val err: 0.051

1,26973,40
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 40
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: F
atom chem shift.auth seq id: 10
atom chem shift.comp id: PHE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 8.190
atom chem shift.val err: 0.003

1,26973,41
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: F
atom chem shift.auth seq id: 10
atom chem shift.comp id: PHE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 171.534
atom chem shift.val err: 0.023

1,26973,42
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 42
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: F
atom chem shift.auth seq id: 10
atom chem shift.comp id: PHE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 54.214
atom chem shift.val err: 0.071

1,26973,43
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 43
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: F
atom chem shift.auth seq id: 10
atom chem shift.comp id: PHE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 38.042
atom chem shift.val err: 0.013

1,26973,44
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 44
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: F
atom chem shift.auth seq id: 10
atom chem shift.comp id: PHE
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 120.323
atom chem shift.val err: 0.046

1,26973,45
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 45
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: I
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 8.192
atom chem shift.val err: 0.006

1,26973,46
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 46
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: I
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 172.027
atom chem shift.val err: 0.000

1,26973,47
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 47
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: I
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 57.763
atom chem shift.val err: 0.046

1,26973,48
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 48
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: I
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 37.228
atom chem shift.val err: 0.128

1,26973,49
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 49
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: I
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 117.606
atom chem shift.val err: 0.061

1,26973,50
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 50
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: M
atom chem shift.auth seq id: 12
atom chem shift.comp id: MET
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 8.761
atom chem shift.val err: 0.003

1,26973,51
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 51
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: M
atom chem shift.auth seq id: 12
atom chem shift.comp id: MET
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 173.163
atom chem shift.val err: 0.008

1,26973,52
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 52
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: M
atom chem shift.auth seq id: 12
atom chem shift.comp id: MET
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 53.838
atom chem shift.val err: 0.104

1,26973,53
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 53
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: M
atom chem shift.auth seq id: 12
atom chem shift.comp id: MET
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 34.188
atom chem shift.val err: 0.047

1,26973,54
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 54
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: M
atom chem shift.auth seq id: 12
atom chem shift.comp id: MET
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 121.348
atom chem shift.val err: 0.061

1,26973,55
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 55
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: K
atom chem shift.auth seq id: 13
atom chem shift.comp id: LYS
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: 9.493
atom chem shift.val err: 0.005

1,26973,56
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 13
atom chem shift.comp id: LYS
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: 176.475
atom chem shift.val err: 0.000

1,26973,57
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 57
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: K
atom chem shift.auth seq id: 13
atom chem shift.comp id: LYS
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: 53.858
atom chem shift.val err: 0.187

1,26973,58
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 58
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 13
atom chem shift.comp id: LYS
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: 31.546
atom chem shift.val err: 0.088

1,26973,59
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 59
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: K
atom chem shift.auth seq id: 13
atom chem shift.comp id: LYS
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: 119.472
atom chem shift.val err: 0.048

1,26973,60
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: C
atom chem shift.auth seq id: 14
atom chem shift.comp id: CYS
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: 8.037
atom chem shift.val err: 0.006

1,26973,61
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 61
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: C
atom chem shift.auth seq id: 14
atom chem shift.comp id: CYS
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: 172.247
atom chem shift.val err: 0.026

1,26973,62
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 62
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: C
atom chem shift.auth seq id: 14
atom chem shift.comp id: CYS
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: 53.060
atom chem shift.val err: 0.076

1,26973,63
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 63
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: C
atom chem shift.auth seq id: 14
atom chem shift.comp id: CYS
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: 27.463
atom chem shift.val err: 0.092

1,26973,64
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 64
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: C
atom chem shift.auth seq id: 14
atom chem shift.comp id: CYS
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: 117.691
atom chem shift.val err: 0.117

1,26973,65
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 65
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: S
atom chem shift.auth seq id: 15
atom chem shift.comp id: SER
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: 8.006
atom chem shift.val err: 0.002

1,26973,66
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 66
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: S
atom chem shift.auth seq id: 15
atom chem shift.comp id: SER
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: 172.2
atom chem shift.val err: 0.029

1,26973,67
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: S
atom chem shift.auth seq id: 15
atom chem shift.comp id: SER
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: 54.654
atom chem shift.val err: 0.104

1,26973,68
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 68
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: S
atom chem shift.auth seq id: 15
atom chem shift.comp id: SER
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: 61.032
atom chem shift.val err: 0.071

1,26973,69
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 69
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: S
atom chem shift.auth seq id: 15
atom chem shift.comp id: SER
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: 117.741
atom chem shift.val err: 0.038

1,26973,70
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 70
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: Q
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLN
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: 8.621
atom chem shift.val err: 0.003

1,26973,71
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 71
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: Q
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLN
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: 171.212
atom chem shift.val err: 0.000

1,26973,72
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 72
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: Q
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLN
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: 53.095
atom chem shift.val err: 0.000

1,26973,73
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 73
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: Q
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLN
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: 29.557
atom chem shift.val err: 0.000

1,26973,74
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: Q
atom chem shift.auth seq id: 16
atom chem shift.comp id: GLN
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: 120.716
atom chem shift.val err: 0.082

1,26973,75
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 75
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: C
atom chem shift.auth seq id: 17
atom chem shift.comp id: CYS
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: 171.827
atom chem shift.val err: 0.000

1,26973,76
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: C
atom chem shift.auth seq id: 17
atom chem shift.comp id: CYS
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: 57.736
atom chem shift.val err: 0.039

1,26973,77
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 77
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: C
atom chem shift.auth seq id: 17
atom chem shift.comp id: CYS
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: 37.281
atom chem shift.val err: 0.004

1,26973,78
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: H
atom chem shift.auth seq id: 18
atom chem shift.comp id: HIS
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: 8.503
atom chem shift.val err: 0.004

1,26973,79
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 79
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: H
atom chem shift.auth seq id: 18
atom chem shift.comp id: HIS
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: 172.192
atom chem shift.val err: 0.000

1,26973,80
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 80
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: H
atom chem shift.auth seq id: 18
atom chem shift.comp id: HIS
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: 53.014
atom chem shift.val err: 0.000

1,26973,81
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 81
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: H
atom chem shift.auth seq id: 18
atom chem shift.comp id: HIS
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: 33.141
atom chem shift.val err: 0.000

1,26973,82
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 82
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: H
atom chem shift.auth seq id: 18
atom chem shift.comp id: HIS
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: 121.249
atom chem shift.val err: 0.033

1,26973,83
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 83
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 168.892
atom chem shift.val err: 0.021

1,26973,84
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 84
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: T
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 56.963
atom chem shift.val err: 0.000

1,26973,85
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 85
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 65.824
atom chem shift.val err: 0.105

1,26973,86
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 86
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: V
atom chem shift.auth seq id: 20
atom chem shift.comp id: VAL
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: 6.705
atom chem shift.val err: 0.004

1,26973,87
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 87
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: V
atom chem shift.auth seq id: 20
atom chem shift.comp id: VAL
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: 170.625
atom chem shift.val err: 0.015

1,26973,88
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: V
atom chem shift.auth seq id: 20
atom chem shift.comp id: VAL
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: 57.096
atom chem shift.val err: 0.089

1,26973,89
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 89
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: V
atom chem shift.auth seq id: 20
atom chem shift.comp id: VAL
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: 29.990
atom chem shift.val err: 0.015

1,26973,90
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 90
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: V
atom chem shift.auth seq id: 20
atom chem shift.comp id: VAL
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: 115.239
atom chem shift.val err: 0.036

1,26973,91
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 91
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: E
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: 7.335
atom chem shift.val err: 0.004

1,26973,92
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 92
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: E
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: 171.027
atom chem shift.val err: 0.007

1,26973,93
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 93
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: E
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: 51.977
atom chem shift.val err: 0.078

1,26973,94
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 94
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: E
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: 27.078
atom chem shift.val err: 0.031

1,26973,95
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: E
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: 119.322
atom chem shift.val err: 0.037

1,26973,96
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: K
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 7.543
atom chem shift.val err: 0.003

1,26973,97
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 97
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 172.149
atom chem shift.val err: 0.088

1,26973,98
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 98
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: K
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 52.546
atom chem shift.val err: 0.046

1,26973,99
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 99
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 31.783
atom chem shift.val err: 0.139

1,26973,100
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 100
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: K
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 118.347
atom chem shift.val err: 0.077

1,26973,101
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 101
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: G
atom chem shift.auth seq id: 23
atom chem shift.comp id: GLY
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 8.137
atom chem shift.val err: 0.003

1,26973,102
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 102
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: G
atom chem shift.auth seq id: 23
atom chem shift.comp id: GLY
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 41.337
atom chem shift.val err: 0.000

1,26973,103
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 103
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: G
atom chem shift.auth seq id: 23
atom chem shift.comp id: GLY
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 106.004
atom chem shift.val err: 0.093

1,26973,104
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 104
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: G
atom chem shift.auth seq id: 24
atom chem shift.comp id: GLY
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 7.926
atom chem shift.val err: 0.001

1,26973,105
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 105
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: G
atom chem shift.auth seq id: 24
atom chem shift.comp id: GLY
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 171.228
atom chem shift.val err: 0.007

1,26973,106
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 106
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: G
atom chem shift.auth seq id: 24
atom chem shift.comp id: GLY
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 42.479
atom chem shift.val err: 0.086

1,26973,107
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 107
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: G
atom chem shift.auth seq id: 24
atom chem shift.comp id: GLY
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 105.255
atom chem shift.val err: 0.042

1,26973,108
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 108
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 25
atom chem shift.comp id: LYS
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 8.163
atom chem shift.val err: 0.012

1,26973,109
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 109
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 25
atom chem shift.comp id: LYS
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 172.060
atom chem shift.val err: 0.079

1,26973,110
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 110
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: K
atom chem shift.auth seq id: 25
atom chem shift.comp id: LYS
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 52.969
atom chem shift.val err: 0.093

1,26973,111
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 111
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 25
atom chem shift.comp id: LYS
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 31.614
atom chem shift.val err: 0.042

1,26973,112
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 112
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth comp id: K
atom chem shift.auth seq id: 25
atom chem shift.comp id: LYS
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 117.695
atom chem shift.val err: 0.100

1,26973,113
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 113
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: H
atom chem shift.auth seq id: 26
atom chem shift.comp id: HIS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 8.278
atom chem shift.val err: 0.010

1,26973,114
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 114
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
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atom chem shift.auth seq id: 26
atom chem shift.comp id: HIS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 170.208
atom chem shift.val err: 0.026

1,26973,115
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 115
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: H
atom chem shift.auth seq id: 26
atom chem shift.comp id: HIS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 51.948
atom chem shift.val err: 0.032

1,26973,116
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 116
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: H
atom chem shift.auth seq id: 26
atom chem shift.comp id: HIS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 27.501
atom chem shift.val err: 0.077

1,26973,117
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 117
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth atom id: N
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atom chem shift.auth seq id: 26
atom chem shift.comp id: HIS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 116.099
atom chem shift.val err: 0.043

1,26973,118
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 118
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
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atom chem shift.auth atom id: H
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 27
atom chem shift.comp id: LYS
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 8.083
atom chem shift.val err: 0.009

1,26973,119
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 119
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 172.324
atom chem shift.val err: 0.066

1,26973,120
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 120
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 27
atom chem shift.comp id: LYS
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 53.202
atom chem shift.val err: 0.106

1,26973,121
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 121
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 27
atom chem shift.comp id: LYS
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 31.667
atom chem shift.val err: 0.030

1,26973,122
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 122
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth seq id: 27
atom chem shift.comp id: LYS
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 118.795
atom chem shift.val err: 0.057

1,26973,123
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 123
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.auth comp id: T
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 7.980
atom chem shift.val err: 0.004

1,26973,124
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 124
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 170.472
atom chem shift.val err: 0.012

1,26973,125
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 125
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 58.449
atom chem shift.val err: 0.107

1,26973,126
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 126
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 67.132
atom chem shift.val err: 0.036

1,26973,127
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 127
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 111.797
atom chem shift.val err: 0.046

1,26973,128
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 128
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 29
atom chem shift.comp id: GLY
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 7.879
atom chem shift.val err: 0.005

1,26973,129
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 129
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 169.6
atom chem shift.val err: 0.000

1,26973,130
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 130
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 29
atom chem shift.comp id: GLY
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 41.988
atom chem shift.val err: 0.000

1,26973,131
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 131
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth seq id: 29
atom chem shift.comp id: GLY
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 105.924
atom chem shift.val err: 0.050

1,26973,132
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: PRO
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 172.023
atom chem shift.val err: 0.000

1,26973,133
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 59.825
atom chem shift.val err: 0.077

1,26973,134
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 29.693
atom chem shift.val err: 0.014

1,26973,135
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 135
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth seq id: 31
atom chem shift.comp id: ASN
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 8.224
atom chem shift.val err: 0.003

1,26973,136
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 136
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 171.639
atom chem shift.val err: 0.007

1,26973,137
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 137
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atom chem shift.auth seq id: 31
atom chem shift.comp id: ASN
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 50.147
atom chem shift.val err: 0.039

1,26973,138
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 138
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 31
atom chem shift.comp id: ASN
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 37.241
atom chem shift.val err: 0.033

1,26973,139
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 139
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: N
atom chem shift.auth seq id: 31
atom chem shift.comp id: ASN
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 116.512
atom chem shift.val err: 0.025

1,26973,140
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 7.903
atom chem shift.val err: 0.003

1,26973,141
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 141
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 32
atom chem shift.val: 172.770
atom chem shift.val err: 0.028

1,26973,142
type: atom chem shift
of datablock: info:bmrb/26973
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: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 51.861
atom chem shift.val err: 0.048

1,26973,143
type: atom chem shift
of datablock: info:bmrb/26973
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: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 40.502
atom chem shift.val err: 0.072

1,26973,144
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 144
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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: 32
atom chem shift.comp id: LEU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 119.224
atom chem shift.val err: 0.028

1,26973,145
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 145
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atom chem shift.comp id: HIS
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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: 8.166
atom chem shift.val err: 0.003

1,26973,146
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: HIS
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 170.667
atom chem shift.val err: 0.007

1,26973,147
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: HIS
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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: 52.585
atom chem shift.val err: 0.101

1,26973,148
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
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atom chem shift.val: 27.102
atom chem shift.val err: 0.042

1,26973,149
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 149
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 114.852
atom chem shift.val err: 0.043

1,26973,150
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 150
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 8.070
atom chem shift.val err: 0.004

1,26973,151
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 151
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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atom chem shift.auth seq id: 34
atom chem shift.comp id: GLY
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 169.107
atom chem shift.val err: 0.007

1,26973,152
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 42.599
atom chem shift.val err: 0.067

1,26973,153
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 34
atom chem shift.val: 105.800
atom chem shift.val err: 0.021

1,26973,154
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 154
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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.val: 7.909
atom chem shift.val err: 0.003

1,26973,155
type: atom chem shift
of datablock: info:bmrb/26973
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
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atom chem shift.val: 172.218
atom chem shift.val err: 0.024

1,26973,156
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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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.val: 52.630
atom chem shift.val err: 0.146

1,26973,157
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.ambiguity code: 1
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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: 35
atom chem shift.val: 41.271
atom chem shift.val err: 0.077

1,26973,158
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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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.val: 118.502
atom chem shift.val err: 0.049

1,26973,159
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.982
atom chem shift.val err: 0.003

1,26973,160
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 171.769
atom chem shift.val err: 0.007

1,26973,161
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 54.329
atom chem shift.val err: 0.091

1,26973,162
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 37.890
atom chem shift.val err: 0.067

1,26973,163
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.val: 116.699
atom chem shift.val err: 0.051

1,26973,164
type: atom chem shift
of datablock: info:bmrb/26973
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.entity assembly id: 1
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atom chem shift.val: 8.143
atom chem shift.val err: 0.005

1,26973,165
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 37
atom chem shift.val: 169.069
atom chem shift.val err: 0.006

1,26973,166
type: atom chem shift
of datablock: info:bmrb/26973
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.entity assembly id: 1
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atom chem shift.val: 42.498
atom chem shift.val err: 0.030

1,26973,167
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 105.806
atom chem shift.val err: 0.037

1,26973,168
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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1,26973,169
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 171.697
atom chem shift.val err: 0.115

1,26973,170
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 38
atom chem shift.val: 52.673
atom chem shift.val err: 0.073

1,26973,171
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ARG
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 29.971
atom chem shift.val err: 0.084

1,26973,172
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 172
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atom chem shift.comp id: ARG
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 117.342
atom chem shift.val err: 0.042

1,26973,173
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.val: 8.158
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1,26973,174
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 172.187
atom chem shift.val err: 0.009

1,26973,175
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 175
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atom chem shift.comp id: LYS
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atom chem shift.val: 52.947
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1,26973,176
type: atom chem shift
of datablock: info:bmrb/26973
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atom chem shift.val: 31.406
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1,26973,177
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 39
atom chem shift.val: 119.156
atom chem shift.val err: 0.051

1,26973,178
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.auth comp id: T
atom chem shift.auth seq id: 40
atom chem shift.comp id: THR
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: 7.738
atom chem shift.val err: 0.003

1,26973,179
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 179
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
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atom chem shift.comp id: THR
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: 170.845
atom chem shift.val err: 0.008

1,26973,180
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 180
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: T
atom chem shift.auth seq id: 40
atom chem shift.comp id: THR
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: 58.866
atom chem shift.val err: 0.057

1,26973,181
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 181
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
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atom chem shift.auth seq id: 40
atom chem shift.comp id: THR
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: 67.059
atom chem shift.val err: 0.055

1,26973,182
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 182
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: T
atom chem shift.auth seq id: 40
atom chem shift.comp id: THR
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: 111.097
atom chem shift.val err: 0.051

1,26973,183
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 183
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: G
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
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: 8.037
atom chem shift.val err: 0.003

1,26973,184
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 184
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: G
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
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: 169.101
atom chem shift.val err: 0.007

1,26973,185
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 185
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: G
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
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: 42.625
atom chem shift.val err: 0.079

1,26973,186
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 186
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: G
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
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: 107.050
atom chem shift.val err: 0.018

1,26973,187
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 187
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: Q
atom chem shift.auth seq id: 42
atom chem shift.comp id: GLN
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: 7.907
atom chem shift.val err: 0.003

1,26973,188
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 188
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: Q
atom chem shift.auth seq id: 42
atom chem shift.comp id: GLN
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: 171.143
atom chem shift.val err: 0.009

1,26973,189
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 189
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: Q
atom chem shift.auth seq id: 42
atom chem shift.comp id: GLN
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: 52.531
atom chem shift.val err: 0.049

1,26973,190
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 190
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: Q
atom chem shift.auth seq id: 42
atom chem shift.comp id: GLN
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: 28.640
atom chem shift.val err: 0.047

1,26973,191
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 191
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: Q
atom chem shift.auth seq id: 42
atom chem shift.comp id: GLN
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: 116.833
atom chem shift.val err: 0.041

1,26973,192
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 192
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: A
atom chem shift.auth seq id: 43
atom chem shift.comp id: ALA
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: 8.148
atom chem shift.val err: 0.003

1,26973,193
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 193
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 43
atom chem shift.comp id: ALA
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: 173.099
atom chem shift.val err: 0.000

1,26973,194
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 194
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: A
atom chem shift.auth seq id: 43
atom chem shift.comp id: ALA
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: 46.840
atom chem shift.val err: 0.000

1,26973,195
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 195
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: A
atom chem shift.auth seq id: 43
atom chem shift.comp id: ALA
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: 17.257
atom chem shift.val err: 0.000

1,26973,196
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 196
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: A
atom chem shift.auth seq id: 43
atom chem shift.comp id: ALA
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: 122.215
atom chem shift.val err: 0.054

1,26973,197
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 197
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: P
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: 172.376
atom chem shift.val err: 0.010

1,26973,198
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 198
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: CA
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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: 60.150
atom chem shift.val err: 0.058

1,26973,199
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 199
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: P
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: 29.552
atom chem shift.val err: 0.009

1,26973,200
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 200
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 7.982
atom chem shift.val err: 0.004

1,26973,201
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 201
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: G
atom chem shift.auth seq id: 45
atom chem shift.comp id: GLY
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 168.955
atom chem shift.val err: 0.004

1,26973,202
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 202
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 45
atom chem shift.comp id: GLY
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 42.460
atom chem shift.val err: 0.046

1,26973,203
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 203
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth seq id: 45
atom chem shift.comp id: GLY
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 104.206
atom chem shift.val err: 0.017

1,26973,204
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 204
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
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atom chem shift.auth comp id: Y
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 7.795
atom chem shift.val err: 0.003

1,26973,205
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 205
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 171.805
atom chem shift.val err: 0.016

1,26973,206
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 206
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 54.482
atom chem shift.val err: 0.036

1,26973,207
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 207
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 46
atom chem shift.comp id: TYR
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 37.350
atom chem shift.val err: 0.040

1,26973,208
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 208
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth comp id: Y
atom chem shift.auth seq id: 46
atom chem shift.comp id: TYR
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 115.947
atom chem shift.val err: 0.043

1,26973,209
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 209
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: SER
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 8.080
atom chem shift.val err: 0.003

1,26973,210
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 210
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: SER
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 170.377
atom chem shift.val err: 0.000

1,26973,211
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 211
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: SER
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 55.584
atom chem shift.val err: 0.059

1,26973,212
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 212
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: SER
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 62.207
atom chem shift.val err: 0.073

1,26973,213
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 213
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: S
atom chem shift.auth seq id: 47
atom chem shift.comp id: SER
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 113.455
atom chem shift.val err: 0.043

1,26973,214
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 214
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atom chem shift.atom type: H
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 48
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atom chem shift.seq id: 48
atom chem shift.val: 7.885
atom chem shift.val err: 0.002

1,26973,215
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 215
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: Y
atom chem shift.auth seq id: 48
atom chem shift.comp id: TYR
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 171.581
atom chem shift.val err: 0.006

1,26973,216
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 216
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: Y
atom chem shift.auth seq id: 48
atom chem shift.comp id: TYR
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 54.849
atom chem shift.val err: 0.045

1,26973,217
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 217
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: Y
atom chem shift.auth seq id: 48
atom chem shift.comp id: TYR
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 36.840
atom chem shift.val err: 0.082

1,26973,218
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 218
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: Y
atom chem shift.auth seq id: 48
atom chem shift.comp id: TYR
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 118.168
atom chem shift.val err: 0.066

1,26973,219
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 219
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: T
atom chem shift.auth seq id: 49
atom chem shift.comp id: THR
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 7.868
atom chem shift.val err: 0.003

1,26973,220
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 220
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 49
atom chem shift.comp id: THR
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 170.114
atom chem shift.val err: 0.110

1,26973,221
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 221
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 49
atom chem shift.comp id: THR
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 58.531
atom chem shift.val err: 0.082

1,26973,222
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 222
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 49
atom chem shift.comp id: THR
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 67.111
atom chem shift.val err: 0.037

1,26973,223
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 223
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: T
atom chem shift.auth seq id: 49
atom chem shift.comp id: THR
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 111.047
atom chem shift.val err: 0.084

1,26973,224
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 224
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: A
atom chem shift.auth seq id: 50
atom chem shift.comp id: ALA
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 7.948
atom chem shift.val err: 0.003

1,26973,225
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 225
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 50
atom chem shift.comp id: ALA
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 172.663
atom chem shift.val err: 0.035

1,26973,226
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 226
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: A
atom chem shift.auth seq id: 50
atom chem shift.comp id: ALA
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 48.844
atom chem shift.val err: 0.098

1,26973,227
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 227
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 50
atom chem shift.comp id: ALA
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 18.239
atom chem shift.val err: 0.033

1,26973,228
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 228
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: A
atom chem shift.auth seq id: 50
atom chem shift.comp id: ALA
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 122.240
atom chem shift.val err: 0.025

1,26973,229
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: A
atom chem shift.auth seq id: 51
atom chem shift.comp id: ALA
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 7.978
atom chem shift.val err: 0.003

1,26973,230
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
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atom chem shift.auth seq id: 51
atom chem shift.comp id: ALA
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 172.728
atom chem shift.val err: 0.006

1,26973,231
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 231
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
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atom chem shift.auth seq id: 51
atom chem shift.comp id: ALA
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 48.881
atom chem shift.val err: 0.112

1,26973,232
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 232
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 51
atom chem shift.comp id: ALA
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 18.188
atom chem shift.val err: 0.013

1,26973,233
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 233
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth seq id: 51
atom chem shift.comp id: ALA
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 119.299
atom chem shift.val err: 0.026

1,26973,234
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 234
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: N
atom chem shift.auth seq id: 52
atom chem shift.comp id: ASN
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 8.009
atom chem shift.val err: 0.003

1,26973,235
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 235
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 52
atom chem shift.comp id: ASN
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 171.529
atom chem shift.val err: 0.051

1,26973,236
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: N
atom chem shift.auth seq id: 52
atom chem shift.comp id: ASN
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 50.205
atom chem shift.val err: 0.092

1,26973,237
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 237
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 52
atom chem shift.comp id: ASN
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 37.256
atom chem shift.val err: 0.047

1,26973,238
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 238
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: N
atom chem shift.auth seq id: 52
atom chem shift.comp id: ASN
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 115.505
atom chem shift.val err: 0.022

1,26973,239
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 239
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.auth atom id: H
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 53
atom chem shift.comp id: LYS
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 7.885
atom chem shift.val err: 0.006

1,26973,240
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 240
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 171.914
atom chem shift.val err: 0.036

1,26973,241
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 241
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 53.002
atom chem shift.val err: 0.088

1,26973,242
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 242
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 31.309
atom chem shift.val err: 0.019

1,26973,243
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 243
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: K
atom chem shift.auth seq id: 53
atom chem shift.comp id: LYS
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 117.394
atom chem shift.val err: 0.069

1,26973,244
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 244
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.auth comp id: N
atom chem shift.auth seq id: 54
atom chem shift.comp id: ASN
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 8.073
atom chem shift.val err: 0.003

1,26973,245
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 245
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 54
atom chem shift.comp id: ASN
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 171.432
atom chem shift.val err: 0.029

1,26973,246
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 246
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 54
atom chem shift.comp id: ASN
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 50.592
atom chem shift.val err: 0.082

1,26973,247
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 247
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 54
atom chem shift.comp id: ASN
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 37.236
atom chem shift.val err: 0.072

1,26973,248
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 248
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: N
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atom chem shift.auth seq id: 54
atom chem shift.comp id: ASN
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 116.784
atom chem shift.val err: 0.063

1,26973,249
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 249
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 7.861
atom chem shift.val err: 0.005

1,26973,250
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 250
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atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 172.193
atom chem shift.val err: 0.017

1,26973,251
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 53.073
atom chem shift.val err: 0.017

1,26973,252
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 252
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 31.368
atom chem shift.val err: 0.016

1,26973,253
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 253
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 117.353
atom chem shift.val err: 0.070

1,26973,254
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 254
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 56
atom chem shift.comp id: GLY
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 8.110
atom chem shift.val err: 0.002

1,26973,255
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 255
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atom chem shift.atom isotope number: 13
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 168.908
atom chem shift.val err: 0.010

1,26973,256
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 256
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 42.714
atom chem shift.val err: 0.047

1,26973,257
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 257
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atom chem shift.auth seq id: 56
atom chem shift.comp id: GLY
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 105.250
atom chem shift.val err: 0.058

1,26973,258
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 258
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 7.640
atom chem shift.val err: 0.003

1,26973,259
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 259
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: I
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 171.304
atom chem shift.val err: 0.007

1,26973,260
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 260
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 57.238
atom chem shift.val err: 0.059

1,26973,261
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 261
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 37.194
atom chem shift.val err: 0.069

1,26973,262
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 262
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 115.495
atom chem shift.val err: 0.032

1,26973,263
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 263
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 58
atom chem shift.val: 7.814
atom chem shift.val err: 0.003

1,26973,264
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 58
atom chem shift.val: 171.315
atom chem shift.val err: 0.004

1,26973,265
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 58
atom chem shift.val: 57.603
atom chem shift.val err: 0.123

1,26973,266
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 266
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 36.887
atom chem shift.val err: 0.021

1,26973,267
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 58
atom chem shift.val: 119.551
atom chem shift.val err: 0.026

1,26973,268
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: TRP
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 59
atom chem shift.val: 7.911
atom chem shift.val err: 0.003

1,26973,269
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 10.738
atom chem shift.val err: 0.000

1,26973,270
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.seq id: 59
atom chem shift.val: 172.062
atom chem shift.val err: 0.017

1,26973,271
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 53.972
atom chem shift.val err: 0.055

1,26973,272
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 28.218
atom chem shift.val err: 0.009

1,26973,273
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 273
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 59
atom chem shift.comp id: TRP
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 121.532
atom chem shift.val err: 0.048

1,26973,274
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 274
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atom chem shift.comp id: TRP
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 59
atom chem shift.val: 131.023
atom chem shift.val err: 0.000

1,26973,275
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.063
atom chem shift.val err: 0.003

1,26973,276
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 169.262
atom chem shift.val err: 0.008

1,26973,277
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 42.634
atom chem shift.val err: 0.035

1,26973,278
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 60
atom chem shift.val: 106.402
atom chem shift.val err: 0.042

1,26973,279
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.976
atom chem shift.val err: 0.003

1,26973,280
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLU
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 171.742
atom chem shift.val err: 0.009

1,26973,281
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 52.548
atom chem shift.val err: 0.113

1,26973,282
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLU
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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: 27.961
atom chem shift.val err: 0.028

1,26973,283
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 61
atom chem shift.val: 116.461
atom chem shift.val err: 0.033

1,26973,284
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ASP
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1,26973,285
type: atom chem shift
of datablock: info:bmrb/26973
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atom chem shift.val: 171.193
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1,26973,286
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 50.096
atom chem shift.val err: 0.048

1,26973,287
type: atom chem shift
of datablock: info:bmrb/26973
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atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: D
atom chem shift.auth seq id: 62
atom chem shift.comp id: ASP
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 36.081
atom chem shift.val err: 0.019

1,26973,288
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 288
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: D
atom chem shift.auth seq id: 62
atom chem shift.comp id: ASP
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 118.075
atom chem shift.val err: 0.033

1,26973,289
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 289
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: T
atom chem shift.auth seq id: 63
atom chem shift.comp id: THR
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: 7.625
atom chem shift.val err: 0.003

1,26973,290
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 290
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 63
atom chem shift.comp id: THR
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: 170.333
atom chem shift.val err: 0.020

1,26973,291
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 291
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: T
atom chem shift.auth seq id: 63
atom chem shift.comp id: THR
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: 58.888
atom chem shift.val err: 0.080

1,26973,292
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 292
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 63
atom chem shift.comp id: THR
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: 66.832
atom chem shift.val err: 0.034

1,26973,293
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 293
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: T
atom chem shift.auth seq id: 63
atom chem shift.comp id: THR
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: 111.048
atom chem shift.val err: 0.034

1,26973,294
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 294
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: L
atom chem shift.auth seq id: 64
atom chem shift.comp id: LEU
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: 7.790
atom chem shift.val err: 0.003

1,26973,295
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 295
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: L
atom chem shift.auth seq id: 64
atom chem shift.comp id: LEU
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: 172.737
atom chem shift.val err: 0.009

1,26973,296
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 296
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: L
atom chem shift.auth seq id: 64
atom chem shift.comp id: LEU
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: 51.977
atom chem shift.val err: 0.070

1,26973,297
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 297
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: L
atom chem shift.auth seq id: 64
atom chem shift.comp id: LEU
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: 40.829
atom chem shift.val err: 0.106

1,26973,298
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 298
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: L
atom chem shift.auth seq id: 64
atom chem shift.comp id: LEU
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: 119.686
atom chem shift.val err: 0.026

1,26973,299
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 299
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: M
atom chem shift.auth seq id: 65
atom chem shift.comp id: MET
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: 7.956
atom chem shift.val err: 0.006

1,26973,300
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 300
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: M
atom chem shift.auth seq id: 65
atom chem shift.comp id: MET
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: 172.119
atom chem shift.val err: 0.086

1,26973,301
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 301
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: M
atom chem shift.auth seq id: 65
atom chem shift.comp id: MET
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: 31.889
atom chem shift.val err: 0.008

1,26973,302
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 302
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: M
atom chem shift.auth seq id: 65
atom chem shift.comp id: MET
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: 117.356
atom chem shift.val err: 0.043

1,26973,303
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 303
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: Y
atom chem shift.auth seq id: 67
atom chem shift.comp id: TYR
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: 51.749
atom chem shift.val err: 0.145

1,26973,304
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 304
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: Y
atom chem shift.auth seq id: 67
atom chem shift.comp id: TYR
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: 40.490
atom chem shift.val err: 0.000

1,26973,305
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 305
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: L
atom chem shift.auth seq id: 68
atom chem shift.comp id: LEU
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: 8.193
atom chem shift.val err: 0.004

1,26973,306
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 306
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: L
atom chem shift.auth seq id: 68
atom chem shift.comp id: LEU
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: 171.464
atom chem shift.val err: 0.107

1,26973,307
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 307
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: L
atom chem shift.auth seq id: 68
atom chem shift.comp id: LEU
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: 50.269
atom chem shift.val err: 0.063

1,26973,308
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 308
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: L
atom chem shift.auth seq id: 68
atom chem shift.comp id: LEU
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: 40.501
atom chem shift.val err: 0.033

1,26973,309
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 309
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: L
atom chem shift.auth seq id: 68
atom chem shift.comp id: LEU
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: 114.921
atom chem shift.val err: 0.029

1,26973,310
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 310
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: E
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 8.048
atom chem shift.val err: 0.005

1,26973,311
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 311
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: E
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 171.556
atom chem shift.val err: 0.077

1,26973,312
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 312
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: E
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 59.139
atom chem shift.val err: 0.073

1,26973,313
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 313
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: E
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 32.275
atom chem shift.val err: 0.013

1,26973,314
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 314
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: E
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 119.474
atom chem shift.val err: 0.049

1,26973,315
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 315
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
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atom chem shift.auth comp id: N
atom chem shift.auth seq id: 70
atom chem shift.comp id: ASN
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: 8.455
atom chem shift.val err: 0.004

1,26973,316
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 316
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 70
atom chem shift.comp id: ASN
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: 176.117
atom chem shift.val err: 0.000

1,26973,317
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 317
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
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atom chem shift.auth seq id: 70
atom chem shift.comp id: ASN
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: 50.118
atom chem shift.val err: 0.000

1,26973,318
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 318
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 70
atom chem shift.comp id: ASN
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: 37.345
atom chem shift.val err: 0.000

1,26973,319
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 319
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: N
atom chem shift.auth seq id: 70
atom chem shift.comp id: ASN
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: 118.020
atom chem shift.val err: 0.037

1,26973,320
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 320
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: P
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
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: 172.068
atom chem shift.val err: 0.133

1,26973,321
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 321
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
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: 60.317
atom chem shift.val err: 0.042

1,26973,322
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 322
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: P
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atom chem shift.comp id: PRO
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: 29.630
atom chem shift.val err: 0.008

1,26973,323
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 323
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth comp id: K
atom chem shift.auth seq id: 72
atom chem shift.comp id: LYS
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: 7.911
atom chem shift.val err: 0.003

1,26973,324
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 324
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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atom chem shift.comp id: LYS
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: 171.982
atom chem shift.val err: 0.153

1,26973,325
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 325
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: K
atom chem shift.auth seq id: 72
atom chem shift.comp id: LYS
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: 52.959
atom chem shift.val err: 0.129

1,26973,326
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 326
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 72
atom chem shift.comp id: LYS
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: 30.866
atom chem shift.val err: 0.095

1,26973,327
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: K
atom chem shift.auth seq id: 72
atom chem shift.comp id: LYS
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: 116.112
atom chem shift.val err: 0.068

1,26973,328
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 73
atom chem shift.comp id: LYS
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: 7.649
atom chem shift.val err: 0.005

1,26973,329
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 329
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: C
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atom chem shift.auth seq id: 73
atom chem shift.comp id: LYS
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: 171.390
atom chem shift.val err: 0.000

1,26973,330
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 330
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 73
atom chem shift.comp id: LYS
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: 50.141
atom chem shift.val err: 0.000

1,26973,331
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 73
atom chem shift.comp id: LYS
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: 31.658
atom chem shift.val err: 0.000

1,26973,332
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 332
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth comp id: K
atom chem shift.auth seq id: 73
atom chem shift.comp id: LYS
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: 116.445
atom chem shift.val err: 0.028

1,26973,333
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 333
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: P
atom chem shift.auth seq id: 76
atom chem shift.comp id: PRO
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: 172.6
atom chem shift.val err: 0.000

1,26973,334
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 334
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: P
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atom chem shift.comp id: PRO
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: 59.928
atom chem shift.val err: 0.107

1,26973,335
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 335
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
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: 29.798
atom chem shift.val err: 0.033

1,26973,336
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 336
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.auth comp id: G
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 8.206
atom chem shift.val err: 0.004

1,26973,337
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 337
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
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: 169.701
atom chem shift.val err: 0.008

1,26973,338
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 338
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
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: 42.806
atom chem shift.val err: 0.036

1,26973,339
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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
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atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
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: 105.068
atom chem shift.val err: 0.025

1,26973,340
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 340
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: T
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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.seq id: 78
atom chem shift.val: 7.632
atom chem shift.val err: 0.003

1,26973,341
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 341
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 78
atom chem shift.comp id: THR
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: 170.451
atom chem shift.val err: 0.016

1,26973,342
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 342
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: T
atom chem shift.auth seq id: 78
atom chem shift.comp id: THR
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: 58.899
atom chem shift.val err: 0.030

1,26973,343
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 343
atom chem shift.ambiguity code: 1
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 78
atom chem shift.comp id: THR
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: 67.075
atom chem shift.val err: 0.091

1,26973,344
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 344
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth comp id: T
atom chem shift.auth seq id: 78
atom chem shift.comp id: THR
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: 110.456
atom chem shift.val err: 0.037

1,26973,345
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 345
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 79
atom chem shift.val: 8.003
atom chem shift.val err: 0.005

1,26973,346
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 79
atom chem shift.val: 172.252
atom chem shift.val err: 0.000

1,26973,347
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: LYS
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: 55.204
atom chem shift.val err: 0.000

1,26973,348
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 36.682
atom chem shift.val err: 0.000

1,26973,349
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 349
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: K
atom chem shift.auth seq id: 79
atom chem shift.comp id: LYS
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: 119.281
atom chem shift.val err: 0.047

1,26973,350
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 350
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atom chem shift.comp id: MET
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 171.524
atom chem shift.val err: 0.003

1,26973,351
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 351
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atom chem shift.comp id: MET
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: 52.776
atom chem shift.val err: 0.054

1,26973,352
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: MET
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 31.758
atom chem shift.val err: 0.046

1,26973,353
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 353
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 81
atom chem shift.val: 7.700
atom chem shift.val err: 0.004

1,26973,354
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ILE
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: 57.781
atom chem shift.val err: 0.045

1,26973,355
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 81
atom chem shift.val: 37.206
atom chem shift.val err: 0.043

1,26973,356
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 356
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ILE
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: 116.340
atom chem shift.val err: 0.049

1,26973,357
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 357
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 82
atom chem shift.val: 8.069
atom chem shift.val err: 0.003

1,26973,358
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 54.456
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1,26973,359
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.seq id: 82
atom chem shift.val: 37.507
atom chem shift.val err: 0.054

1,26973,360
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: F
atom chem shift.auth seq id: 82
atom chem shift.comp id: PHE
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 120.184
atom chem shift.val err: 0.045

1,26973,361
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: V
atom chem shift.auth seq id: 83
atom chem shift.comp id: VAL
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 7.871
atom chem shift.val err: 0.006

1,26973,362
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 362
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: V
atom chem shift.auth seq id: 83
atom chem shift.comp id: VAL
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 171.981
atom chem shift.val err: 0.029

1,26973,363
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 363
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: V
atom chem shift.auth seq id: 83
atom chem shift.comp id: VAL
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 59.232
atom chem shift.val err: 0.029

1,26973,364
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 364
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: V
atom chem shift.auth seq id: 83
atom chem shift.comp id: VAL
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 30.633
atom chem shift.val err: 0.072

1,26973,365
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 365
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: V
atom chem shift.auth seq id: 83
atom chem shift.comp id: VAL
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 116.096
atom chem shift.val err: 0.066

1,26973,366
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 366
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: G
atom chem shift.auth seq id: 84
atom chem shift.comp id: GLY
atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 8.054
atom chem shift.val err: 0.010

1,26973,367
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 367
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: G
atom chem shift.auth seq id: 84
atom chem shift.comp id: GLY
atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 169.752
atom chem shift.val err: 0.032

1,26973,368
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 368
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: G
atom chem shift.auth seq id: 84
atom chem shift.comp id: GLY
atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 42.915
atom chem shift.val err: 0.094

1,26973,369
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 369
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: G
atom chem shift.auth seq id: 84
atom chem shift.comp id: GLY
atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 108.228
atom chem shift.val err: 0.058

1,26973,370
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 370
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: I
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 7.849
atom chem shift.val err: 0.004

1,26973,371
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 371
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: I
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 58.255
atom chem shift.val err: 0.093

1,26973,372
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 372
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: I
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 36.855
atom chem shift.val err: 0.115

1,26973,373
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 373
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: I
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 116.603
atom chem shift.val err: 0.064

1,26973,374
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 374
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: K
atom chem shift.auth seq id: 86
atom chem shift.comp id: LYS
atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 8.119
atom chem shift.val err: 0.010

1,26973,375
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 375
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: K
atom chem shift.auth seq id: 86
atom chem shift.comp id: LYS
atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 53.937
atom chem shift.val err: 0.000

1,26973,376
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 376
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: K
atom chem shift.auth seq id: 86
atom chem shift.comp id: LYS
atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 31.103
atom chem shift.val err: 0.000

1,26973,377
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 377
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: K
atom chem shift.auth seq id: 86
atom chem shift.comp id: LYS
atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 121.386
atom chem shift.val err: 0.041

1,26973,378
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 378
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: E
atom chem shift.auth seq id: 90
atom chem shift.comp id: GLU
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 53.092
atom chem shift.val err: 0.004

1,26973,379
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 379
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: E
atom chem shift.auth seq id: 90
atom chem shift.comp id: GLU
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 27.579
atom chem shift.val err: 0.009

1,26973,380
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 380
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: R
atom chem shift.auth seq id: 91
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 8.041
atom chem shift.val err: 0.004

1,26973,381
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 381
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: R
atom chem shift.auth seq id: 91
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 172.110
atom chem shift.val err: 0.019

1,26973,382
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 382
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: R
atom chem shift.auth seq id: 91
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 53.521
atom chem shift.val err: 0.103

1,26973,383
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 383
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: R
atom chem shift.auth seq id: 91
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 28.962
atom chem shift.val err: 0.049

1,26973,384
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 384
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: R
atom chem shift.auth seq id: 91
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 118.536
atom chem shift.val err: 0.079

1,26973,385
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 385
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: A
atom chem shift.auth seq id: 92
atom chem shift.comp id: ALA
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 8.047
atom chem shift.val err: 0.004

1,26973,386
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 386
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 92
atom chem shift.comp id: ALA
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 173.376
atom chem shift.val err: 0.013

1,26973,387
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 387
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: A
atom chem shift.auth seq id: 92
atom chem shift.comp id: ALA
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 49.547
atom chem shift.val err: 0.083

1,26973,388
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 388
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 92
atom chem shift.comp id: ALA
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 18.144
atom chem shift.val err: 0.028

1,26973,389
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 389
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: A
atom chem shift.auth seq id: 92
atom chem shift.comp id: ALA
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 120.824
atom chem shift.val err: 0.028

1,26973,390
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 390
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: D
atom chem shift.auth seq id: 93
atom chem shift.comp id: ASP
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 8.214
atom chem shift.val err: 0.004

1,26973,391
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 391
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: D
atom chem shift.auth seq id: 93
atom chem shift.comp id: ASP
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 171.532
atom chem shift.val err: 0.031

1,26973,392
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 392
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: D
atom chem shift.auth seq id: 93
atom chem shift.comp id: ASP
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 50.474
atom chem shift.val err: 0.211

1,26973,393
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 393
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: D
atom chem shift.auth seq id: 93
atom chem shift.comp id: ASP
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 36.046
atom chem shift.val err: 0.031

1,26973,394
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: D
atom chem shift.auth seq id: 93
atom chem shift.comp id: ASP
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 116.427
atom chem shift.val err: 0.039

1,26973,395
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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: L
atom chem shift.auth seq id: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 7.820
atom chem shift.val err: 0.004

1,26973,396
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.atom isotope number: 13
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 173.088
atom chem shift.val err: 0.011

1,26973,397
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 397
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: CA
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 52.633
atom chem shift.val err: 0.118

1,26973,398
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 398
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: CB
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atom chem shift.auth seq id: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 40.867
atom chem shift.val err: 0.102

1,26973,399
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 399
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
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atom chem shift.auth seq id: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 118.520
atom chem shift.val err: 0.061

1,26973,400
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 400
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atom chem shift.auth atom id: H
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atom chem shift.auth seq id: 95
atom chem shift.comp id: ILE
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 7.826
atom chem shift.val err: 0.004

1,26973,401
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 401
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 171.752
atom chem shift.val err: 0.001

1,26973,402
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 58.435
atom chem shift.val err: 0.121

1,26973,403
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 403
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: I
atom chem shift.auth seq id: 95
atom chem shift.comp id: ILE
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 36.343
atom chem shift.val err: 0.023

1,26973,404
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 404
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth comp id: I
atom chem shift.auth seq id: 95
atom chem shift.comp id: ILE
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 116.427
atom chem shift.val err: 0.061

1,26973,405
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 405
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 96
atom chem shift.comp id: ALA
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 7.890
atom chem shift.val err: 0.003

1,26973,406
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 406
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 173.048
atom chem shift.val err: 0.002

1,26973,407
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 407
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atom chem shift.auth seq id: 96
atom chem shift.comp id: ALA
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 49.787
atom chem shift.val err: 0.065

1,26973,408
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 408
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 96
atom chem shift.val: 17.989
atom chem shift.val err: 0.042

1,26973,409
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 409
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth seq id: 96
atom chem shift.comp id: ALA
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 96
atom chem shift.val: 122.355
atom chem shift.val err: 0.039

1,26973,410
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 410
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 97
atom chem shift.val: 7.760
atom chem shift.val err: 0.003

1,26973,411
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 411
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 97
atom chem shift.val: 171.787
atom chem shift.val err: 0.000

1,26973,412
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 97
atom chem shift.val: 55.487
atom chem shift.val err: 0.088

1,26973,413
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 413
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 97
atom chem shift.val: 36.790
atom chem shift.val err: 0.046

1,26973,414
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 414
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 97
atom chem shift.comp id: TYR
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 115.262
atom chem shift.val err: 0.029

1,26973,415
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 415
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 98
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: 98
atom chem shift.val: 7.873
atom chem shift.val err: 0.005

1,26973,416
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 416
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atom chem shift.auth seq id: 98
atom chem shift.comp id: LEU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 98
atom chem shift.val: 52.532
atom chem shift.val err: 0.000

1,26973,417
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 417
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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: 98
atom chem shift.val: 40.752
atom chem shift.val err: 0.000

1,26973,418
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 418
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 98
atom chem shift.comp id: LEU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 98
atom chem shift.val: 118.096
atom chem shift.val err: 0.076

1,26973,419
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 419
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 100
atom chem shift.val: 7.818
atom chem shift.val err: 0.005

1,26973,420
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 171.887
atom chem shift.val err: 0.035

1,26973,421
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 421
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 53.037
atom chem shift.val err: 0.008

1,26973,422
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 100
atom chem shift.val: 31.586
atom chem shift.val err: 0.075

1,26973,423
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 423
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 117.339
atom chem shift.val err: 0.047

1,26973,424
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 8.005
atom chem shift.val err: 0.003

1,26973,425
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 101
atom chem shift.val: 172.792
atom chem shift.val err: 0.011

1,26973,426
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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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: 48.882
atom chem shift.val err: 0.055

1,26973,427
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 427
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 101
atom chem shift.val: 18.098
atom chem shift.val err: 0.033

1,26973,428
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 428
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 101
atom chem shift.comp id: ALA
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 120.858
atom chem shift.val err: 0.057

1,26973,429
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 429
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 7.621
atom chem shift.val err: 0.003

1,26973,430
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 102
atom chem shift.val: 176.075
atom chem shift.val err: 0.005

1,26973,431
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 58.331
atom chem shift.val err: 0.086

1,26973,432
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
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atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: T
atom chem shift.auth seq id: 102
atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 67.019
atom chem shift.val err: 0.103

1,26973,433
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 433
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: T
atom chem shift.auth seq id: 102
atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 108.930
atom chem shift.val err: 0.020

1,26973,434
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 434
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: N
atom chem shift.auth seq id: 103
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 7.995
atom chem shift.val err: 0.003

1,26973,435
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 435
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 103
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 171.391
atom chem shift.val err: 0.030

1,26973,436
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 436
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: N
atom chem shift.auth seq id: 103
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 49.993
atom chem shift.val err: 0.111

1,26973,437
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 437
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: N
atom chem shift.auth seq id: 103
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 37.371
atom chem shift.val err: 0.057

1,26973,438
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 438
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: N
atom chem shift.auth seq id: 103
atom chem shift.comp id: ASN
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 118.041
atom chem shift.val err: 0.067

1,26973,439
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 439
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: E
atom chem shift.auth seq id: 104
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 7.882
atom chem shift.val err: 0.003

1,26973,440
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 440
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: E
atom chem shift.auth seq id: 104
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 173.342
atom chem shift.val err: 0.000

1,26973,441
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 441
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: E
atom chem shift.auth seq id: 104
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 51.920
atom chem shift.val err: 0.000

1,26973,442
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 442
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: E
atom chem shift.auth seq id: 104
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 26.808
atom chem shift.val err: 0.000

1,26973,443
type: atom chem shift
of datablock: info:bmrb/26973
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26973
atom chem shift.id: 443
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: E
atom chem shift.auth seq id: 104
atom chem shift.comp id: GLU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 115.579
atom chem shift.val err: 0.051

1,26973,1
type: bond
of datablock: info:bmrb/26973
bond.assembly id: 1
bond.entry id: 26973
bond.id: 1
bond.atom id 1: SG
bond.atom id 2: na
bond.comp id 1: CYS
bond.comp id 2: HEC
bond.comp index id 1: 14
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 14
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

1,26973,2
type: bond
of datablock: info:bmrb/26973
bond.assembly id: 1
bond.entry id: 26973
bond.id: 2
bond.atom id 1: SG
bond.atom id 2: na
bond.comp id 1: CYS
bond.comp id 2: HEC
bond.comp index id 1: 17
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 17
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

26973,HEC
type: chem comp
of datablock: info:bmrb/26973
reference to entry: entry
chem comp.entry id: 26973
chem comp.id: HEC
chem comp.ambiguous flag: no
chem comp.aromatic: yes
chem comp.bmrb code: HEC
chem comp.formal charge: 0
chem comp.formula: C34 H34 Fe N4 O4
chem comp.formula weight: 618.503
chem comp.ideal coordinates details: not provided
chem comp.ideal coordinates missing flag: yes
chem comp.inchi code: InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates db code: 1DY7
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: HEME C
chem comp.number atoms all: 77
chem comp.number atoms nh: 43
chem comp.pdb code: HEC
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_HEC
chem comp.three letter code: HEC
chem comp.type: NON-POLYMER

info:pdb-ccd/HEC

pdb-ccd:HEC

info:pdb.ligand/HEC

pdb.ligand:HEC

FE,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: FE
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: FE
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: FE
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.522
chem comp atom.model cartn y: 27.935
chem comp atom.model cartn z: 77.126
chem comp atom.pdb atom id: FE
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: FE

CHA,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CHA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CHA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.607
chem comp atom.model cartn y: 30.470
chem comp atom.model cartn z: 74.811
chem comp atom.pdb atom id: CHA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHB,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CHB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CHB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.890
chem comp atom.model cartn y: 27.534
chem comp atom.model cartn z: 76.792
chem comp atom.pdb atom id: CHB
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHC,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CHC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CHC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.474
chem comp atom.model cartn y: 25.549
chem comp atom.model cartn z: 79.610
chem comp atom.pdb atom id: CHC
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHD,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CHD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CHD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.137
chem comp atom.model cartn y: 28.061
chem comp atom.model cartn z: 77.181
chem comp atom.pdb atom id: CHD
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

NA,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: NA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: N A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: NA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.951
chem comp atom.model cartn y: 28.824
chem comp atom.model cartn z: 76.033
chem comp atom.pdb atom id: NA
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C1A,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C1A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C1A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.807
chem comp atom.model cartn y: 29.877
chem comp atom.model cartn z: 75.150
chem comp atom.pdb atom id: C1A
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2A,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C2A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C2A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.105
chem comp atom.model cartn y: 30.253
chem comp atom.model cartn z: 74.630
chem comp atom.pdb atom id: C2A
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3A,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C3A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C3A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.010
chem comp atom.model cartn y: 29.435
chem comp atom.model cartn z: 75.177
chem comp atom.pdb atom id: C3A
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4A,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C4A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C4A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.303
chem comp atom.model cartn y: 28.522
chem comp atom.model cartn z: 76.041
chem comp atom.pdb atom id: C4A
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMA,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CMA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CMA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.541
chem comp atom.model cartn y: 29.397
chem comp atom.model cartn z: 74.959
chem comp atom.pdb atom id: CMA
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAA,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CAA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.314
chem comp atom.model cartn y: 31.394
chem comp atom.model cartn z: 73.613
chem comp atom.pdb atom id: CAA
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBA,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CBA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CBA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.118
chem comp atom.model cartn y: 30.944
chem comp atom.model cartn z: 72.150
chem comp atom.pdb atom id: CBA
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGA,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CGA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CGA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CGA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.936
chem comp atom.model cartn y: 32.093
chem comp atom.model cartn z: 71.184
chem comp atom.pdb atom id: CGA
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1A,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: O1A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: O1A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O1A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.984
chem comp atom.model cartn y: 31.796
chem comp atom.model cartn z: 69.960
chem comp atom.pdb atom id: O1A
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2A,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: O2A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: O2A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.746
chem comp atom.model cartn y: 33.219
chem comp atom.model cartn z: 71.713
chem comp atom.pdb atom id: O2A
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: O

NB,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: NB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: N B
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: NB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.893
chem comp atom.model cartn y: 26.771
chem comp atom.model cartn z: 78.005
chem comp atom.pdb atom id: NB
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C1B,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C1B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C1B
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.247
chem comp atom.model cartn y: 26.743
chem comp atom.model cartn z: 77.714
chem comp atom.pdb atom id: C1B
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2B,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C2B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C2B
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.887
chem comp atom.model cartn y: 25.778
chem comp atom.model cartn z: 78.560
chem comp atom.pdb atom id: C2B
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3B,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C3B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C3B
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.936
chem comp atom.model cartn y: 25.254
chem comp atom.model cartn z: 79.345
chem comp atom.pdb atom id: C3B
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4B,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C4B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C4B
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.682
chem comp atom.model cartn y: 25.864
chem comp atom.model cartn z: 79.016
chem comp atom.pdb atom id: C4B
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMB,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CMB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CMB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.402
chem comp atom.model cartn y: 25.470
chem comp atom.model cartn z: 78.518
chem comp atom.pdb atom id: CMB
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAB,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CAB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CAB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.176
chem comp atom.model cartn y: 24.150
chem comp atom.model cartn z: 80.430
chem comp atom.pdb atom id: CAB
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBB,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CBB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CBB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.918
chem comp atom.model cartn y: 24.683
chem comp atom.model cartn z: 81.499
chem comp atom.pdb atom id: CBB
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: C

NC,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: NC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: N C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: NC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.094
chem comp atom.model cartn y: 27.011
chem comp atom.model cartn z: 78.184
chem comp atom.pdb atom id: NC
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C1C,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C1C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C1C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.271
chem comp atom.model cartn y: 26.063
chem comp atom.model cartn z: 79.176
chem comp atom.pdb atom id: C1C
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2C,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C2C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C2C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.975
chem comp atom.model cartn y: 25.602
chem comp atom.model cartn z: 79.660
chem comp atom.pdb atom id: C2C
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3C,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C3C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C3C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.061
chem comp atom.model cartn y: 26.311
chem comp atom.model cartn z: 78.989
chem comp atom.pdb atom id: C3C
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4C,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C4C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C4C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.718
chem comp atom.model cartn y: 27.173
chem comp atom.model cartn z: 78.056
chem comp atom.pdb atom id: C4C
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMC,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CMC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CMC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.779
chem comp atom.model cartn y: 24.528
chem comp atom.model cartn z: 80.747
chem comp atom.pdb atom id: CMC
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAC,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CAC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CAC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.494
chem comp atom.model cartn y: 26.156
chem comp atom.model cartn z: 79.124
chem comp atom.pdb atom id: CAC
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBC,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CBC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CBC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 9.970
chem comp atom.model cartn y: 26.773
chem comp atom.model cartn z: 80.223
chem comp atom.pdb atom id: CBC
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: C

ND,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: ND
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: N D
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: ND
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.147
chem comp atom.model cartn y: 29.048
chem comp atom.model cartn z: 76.172
chem comp atom.pdb atom id: ND
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C1D,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C1D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C1D
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.776
chem comp atom.model cartn y: 28.935
chem comp atom.model cartn z: 76.326
chem comp atom.pdb atom id: C1D
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2D,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C2D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C2D
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.141
chem comp atom.model cartn y: 29.896
chem comp atom.model cartn z: 75.454
chem comp atom.pdb atom id: C2D
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3D,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C3D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C3D
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.089
chem comp atom.model cartn y: 30.565
chem comp atom.model cartn z: 74.804
chem comp atom.pdb atom id: C3D
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4D,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: C4D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: C4D
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.375
chem comp atom.model cartn y: 30.053
chem comp atom.model cartn z: 75.264
chem comp atom.pdb atom id: C4D
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMD,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CMD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CMD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.600
chem comp atom.model cartn y: 30.042
chem comp atom.model cartn z: 75.374
chem comp atom.pdb atom id: CMD
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAD,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CAD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CAD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.956
chem comp atom.model cartn y: 31.685
chem comp atom.model cartn z: 73.755
chem comp atom.pdb atom id: CAD
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBD,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CBD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CBD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.630
chem comp atom.model cartn y: 33.026
chem comp atom.model cartn z: 74.020
chem comp atom.pdb atom id: CBD
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGD,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: CGD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: CGD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CGD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.812
chem comp atom.model cartn y: 33.988
chem comp atom.model cartn z: 74.834
chem comp atom.pdb atom id: CGD
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1D,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: O1D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: O1D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O1D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.179
chem comp atom.model cartn y: 33.453
chem comp atom.model cartn z: 75.789
chem comp atom.pdb atom id: O1D
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2D,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: O2D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: O2D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O2D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.826
chem comp atom.model cartn y: 35.208
chem comp atom.model cartn z: 74.518
chem comp atom.pdb atom id: O2D
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: O

HHA,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HHA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: HHA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.634
chem comp atom.model cartn y: 31.337
chem comp atom.model cartn z: 74.130
chem comp atom.pdb atom id: HHA
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHB,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HHB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: HHB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.969
chem comp atom.model cartn y: 27.361
chem comp atom.model cartn z: 76.642
chem comp atom.pdb atom id: HHB
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHC,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HHC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: HHC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.469
chem comp atom.model cartn y: 24.856
chem comp atom.model cartn z: 80.468
chem comp atom.pdb atom id: HHC
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHD,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HHD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: HHD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.034
chem comp atom.model cartn y: 28.073
chem comp atom.model cartn z: 77.162
chem comp atom.pdb atom id: HHD
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMA1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMA1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HMA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMA1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 21.295
chem comp atom.model cartn y: 28.714
chem comp atom.model cartn z: 75.415
chem comp atom.pdb atom id: HMA1
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMA2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMA2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HMA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMA2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.681
chem comp atom.model cartn y: 29.301
chem comp atom.model cartn z: 73.857
chem comp atom.pdb atom id: HMA2
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMA3,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMA3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 3HMA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMA3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.898
chem comp atom.model cartn y: 30.428
chem comp atom.model cartn z: 75.184
chem comp atom.pdb atom id: HMA3
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAA1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HAA1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAA1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.659
chem comp atom.model cartn y: 32.264
chem comp atom.model cartn z: 73.852
chem comp atom.pdb atom id: HAA1
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAA2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HAA2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAA2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.311
chem comp atom.model cartn y: 31.872
chem comp atom.model cartn z: 73.751
chem comp atom.pdb atom id: HAA2
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBA1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBA1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HBA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBA1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.955
chem comp atom.model cartn y: 30.284
chem comp atom.model cartn z: 71.824
chem comp atom.pdb atom id: HBA1
chem comp atom.pdbx ordinal: 53
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBA2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBA2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HBA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBA2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.271
chem comp atom.model cartn y: 30.222
chem comp atom.model cartn z: 72.069
chem comp atom.pdb atom id: HBA2
chem comp atom.pdbx ordinal: 54
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2A,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: H2A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: H2A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.631
chem comp atom.model cartn y: 33.940
chem comp atom.model cartn z: 71.106
chem comp atom.pdb atom id: H2A
chem comp atom.pdbx ordinal: 55
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMB1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMB1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HMB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMB1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.899
chem comp atom.model cartn y: 24.719
chem comp atom.model cartn z: 79.175
chem comp atom.pdb atom id: HMB1
chem comp atom.pdbx ordinal: 56
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMB2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMB2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HMB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMB2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.654
chem comp atom.model cartn y: 25.203
chem comp atom.model cartn z: 77.465
chem comp atom.pdb atom id: HMB2
chem comp atom.pdbx ordinal: 57
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMB3,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMB3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 3HMB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMB3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.938
chem comp atom.model cartn y: 26.437
chem comp atom.model cartn z: 78.658
chem comp atom.pdb atom id: HMB3
chem comp atom.pdbx ordinal: 58
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAB,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HAB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: HAB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.852
chem comp atom.model cartn y: 23.095
chem comp atom.model cartn z: 80.440
chem comp atom.pdb atom id: HAB
chem comp atom.pdbx ordinal: 59
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBB1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBB1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HBB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBB1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.088
chem comp atom.model cartn y: 23.897
chem comp atom.model cartn z: 82.271
chem comp atom.pdb atom id: HBB1
chem comp atom.pdbx ordinal: 60
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBB2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBB2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HBB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBB2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.872
chem comp atom.model cartn y: 25.147
chem comp atom.model cartn z: 81.156
chem comp atom.pdb atom id: HBB2
chem comp atom.pdbx ordinal: 61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBB3,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBB3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 3HBB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBB3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.439
chem comp atom.model cartn y: 25.594
chem comp atom.model cartn z: 81.927
chem comp atom.pdb atom id: HBB3
chem comp atom.pdbx ordinal: 62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMC1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMC1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HMC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMC1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.788
chem comp atom.model cartn y: 24.175
chem comp atom.model cartn z: 81.117
chem comp atom.pdb atom id: HMC1
chem comp atom.pdbx ordinal: 63
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMC2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMC2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HMC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMC2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.340
chem comp atom.model cartn y: 23.624
chem comp atom.model cartn z: 80.413
chem comp atom.pdb atom id: HMC2
chem comp atom.pdbx ordinal: 64
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMC3,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMC3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 3HMC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMC3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.357
chem comp atom.model cartn y: 24.861
chem comp atom.model cartn z: 81.639
chem comp atom.pdb atom id: HMC3
chem comp atom.pdbx ordinal: 65
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAC,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HAC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: HAC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 9.782
chem comp atom.model cartn y: 25.629
chem comp atom.model cartn z: 78.466
chem comp atom.pdb atom id: HAC
chem comp atom.pdbx ordinal: 66
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBC1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBC1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HBC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBC1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.864
chem comp atom.model cartn y: 26.663
chem comp atom.model cartn z: 80.318
chem comp atom.pdb atom id: HBC1
chem comp atom.pdbx ordinal: 67
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBC2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBC2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HBC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBC2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.480
chem comp atom.model cartn y: 26.422
chem comp atom.model cartn z: 81.150
chem comp atom.pdb atom id: HBC2
chem comp atom.pdbx ordinal: 68
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBC3,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBC3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 3HBC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBC3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.260
chem comp atom.model cartn y: 27.849
chem comp atom.model cartn z: 80.244
chem comp atom.pdb atom id: HBC3
chem comp atom.pdbx ordinal: 69
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMD1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMD1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HMD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMD1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.109
chem comp atom.model cartn y: 30.783
chem comp atom.model cartn z: 74.701
chem comp atom.pdb atom id: HMD1
chem comp atom.pdbx ordinal: 70
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMD2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMD2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HMD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMD2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.175
chem comp atom.model cartn y: 29.038
chem comp atom.model cartn z: 75.139
chem comp atom.pdb atom id: HMD2
chem comp atom.pdbx ordinal: 71
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMD3,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HMD3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 3HMD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMD3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.221
chem comp atom.model cartn y: 30.219
chem comp atom.model cartn z: 76.407
chem comp atom.pdb atom id: HMD3
chem comp atom.pdbx ordinal: 72
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAD1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HAD1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HAD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAD1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.302
chem comp atom.model cartn y: 31.297
chem comp atom.model cartn z: 72.768
chem comp atom.pdb atom id: HAD1
chem comp atom.pdbx ordinal: 73
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAD2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HAD2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HAD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAD2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.873
chem comp atom.model cartn y: 31.860
chem comp atom.model cartn z: 73.551
chem comp atom.pdb atom id: HAD2
chem comp atom.pdbx ordinal: 74
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBD1,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBD1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 1HBD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBD1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.628
chem comp atom.model cartn y: 32.871
chem comp atom.model cartn z: 74.491
chem comp atom.pdb atom id: HBD1
chem comp atom.pdbx ordinal: 75
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBD2,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: HBD2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 0
chem comp atom.alt atom id: 2HBD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBD2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.942
chem comp atom.model cartn y: 33.499
chem comp atom.model cartn z: 73.059
chem comp atom.pdb atom id: HBD2
chem comp atom.pdbx ordinal: 76
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2D,HEC,26973
type: chem comp atom
of datablock: info:bmrb/26973
reference to entry: entry
chem comp atom.atom id: H2D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26973
chem comp atom.align: 1
chem comp atom.alt atom id: H2D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.308
chem comp atom.model cartn y: 35.816
chem comp atom.model cartn z: 75.032
chem comp atom.pdb atom id: H2D
chem comp atom.pdbx ordinal: 77
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HEC,26973,1
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,2
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,3
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,4
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,5
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C1A
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,6
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,7
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: HHA
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,8
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,9
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C1B
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,10
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: HHB
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,11
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,12
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C1C
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,13
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: HHC
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,14
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,15
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C1D
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,16
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: HHD
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,17
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 17
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: NA
chem comp bond.atom id 2: C1A
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,18
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 18
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: NA
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,19
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 19
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: C2A
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,20
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 20
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: C3A
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,21
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: CAA
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,22
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 22
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,23
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: CMA
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,24
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMA1
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,25
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMA2
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,26
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMA3
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,27
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: CBA
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,28
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAA1
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,29
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAA2
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,30
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: CGA
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,31
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBA1
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,32
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBA2
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,33
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O1A
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,34
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O2A
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,35
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2A
chem comp bond.atom id 2: H2A
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,36
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 36
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: NB
chem comp bond.atom id 2: C1B
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,37
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 37
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: NB
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,38
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 38
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1B
chem comp bond.atom id 2: C2B
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,39
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 39
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: C3B
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,40
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: CMB
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,41
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 41
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,42
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: CAB
chem comp bond.ordinal: 42
chem comp bond.stereo config: E
chem comp bond.value order: DOUB

HEC,26973,43
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMB1
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,44
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMB2
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,45
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMB3
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,46
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: CBB
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,47
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: HAB
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,48
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 48
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBB1
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,49
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBB2
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,50
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 50
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBB3
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,51
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 51
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: NC
chem comp bond.atom id 2: C1C
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,52
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 52
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: NC
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,53
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 53
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1C
chem comp bond.atom id 2: C2C
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,54
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 54
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: C3C
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,55
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: CMC
chem comp bond.ordinal: 55
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,56
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 56
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 56
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,57
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: CAC
chem comp bond.ordinal: 57
chem comp bond.stereo config: E
chem comp bond.value order: DOUB

HEC,26973,58
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMC1
chem comp bond.ordinal: 58
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,59
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMC2
chem comp bond.ordinal: 59
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,60
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 60
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMC3
chem comp bond.ordinal: 60
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,61
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: CBC
chem comp bond.ordinal: 61
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,62
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 62
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: HAC
chem comp bond.ordinal: 62
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,63
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBC1
chem comp bond.ordinal: 63
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,64
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 64
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBC2
chem comp bond.ordinal: 64
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,65
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBC3
chem comp bond.ordinal: 65
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,66
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 66
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: ND
chem comp bond.atom id 2: C1D
chem comp bond.ordinal: 66
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,67
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 67
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: ND
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 67
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,68
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 68
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1D
chem comp bond.atom id 2: C2D
chem comp bond.ordinal: 68
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,69
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 69
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: C3D
chem comp bond.ordinal: 69
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,70
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: CMD
chem comp bond.ordinal: 70
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,71
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 71
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 71
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,72
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: CAD
chem comp bond.ordinal: 72
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,73
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMD1
chem comp bond.ordinal: 73
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,74
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMD2
chem comp bond.ordinal: 74
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,75
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMD3
chem comp bond.ordinal: 75
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,76
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: CBD
chem comp bond.ordinal: 76
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,77
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HAD1
chem comp bond.ordinal: 77
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,78
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HAD2
chem comp bond.ordinal: 78
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,79
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 79
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: CGD
chem comp bond.ordinal: 79
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,80
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 80
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBD1
chem comp bond.ordinal: 80
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,81
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBD2
chem comp bond.ordinal: 81
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,82
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 82
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O1D
chem comp bond.ordinal: 82
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEC,26973,83
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 83
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O2D
chem comp bond.ordinal: 83
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEC,26973,84
type: chem comp bond
of datablock: info:bmrb/26973
chem comp bond.comp id: HEC
chem comp bond.entry id: 26973
chem comp bond.id: 84
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2D
chem comp bond.atom id 2: H2D
chem comp bond.ordinal: 84
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr26973/chem_comp_descriptor/HEC,CC%3DC1C(%3DC2C%3DC3C(%3DCC)C(%3DC4N3%5BFe%5D56N2C1%3DCc7n5c(c(c7C)CCC(%3DO)O)C%3DC8,26973,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/26973
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
chem comp descriptor.entry id: 26973
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr26973/chem_comp_descriptor/HEC,CC%3DC1C(%3DC2C%3DC3C(%3DCC)C(%3DC4N3%5BFe%5D56N2C1%3DCc7n5c(c(c7C)CCC(%3DO)O)C%3DC8,26973,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/26973
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
chem comp descriptor.entry id: 26973
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr26973/chem_comp_descriptor/HEC,CC%3DC1C(%3DC2C%3DC3N4C(%3DCc5n6c(C%3DC7N8C(%3DC(C)C7%3DCC)C%3DC1N2%5BFe%5D468)c(C)c,26973,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/26973
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
chem comp descriptor.entry id: 26973
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr26973/chem_comp_descriptor/HEC,C%5CC%3DC1%2FC(%3DC2C%3DC3N4C(%3DCc5n6c(C%3DC7N8C(%3DC(C)%5CC7%3DC%2FC)C%3DC1N2%5BFe%40%40%5D468,26973,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/26973
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
chem comp descriptor.entry id: 26973
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

HEC,HXQIYSLZKNYNMH-LJNAALQVSA-N,26973,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/26973
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: HXQIYSLZKNYNMH-LJNAALQVSA-N
chem comp descriptor.entry id: 26973
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

HEC,,26973,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/26973
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
chem comp descriptor.entry id: 26973
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr26973/chem_comp_descriptor/HEC,O%3DC(O)CCC1%3DC(C2%3DCC6%3DC(C(%3DC%2FC)%5CC5%3DCC4%3DC(C(%5CC3%3DCc7c(c(c8C%3DC1N2%5BFe%5D,26973,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/26973
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
chem comp descriptor.entry id: 26973
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

HEC,26973,{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/26973
chem comp identifier.comp id: HEC
chem comp identifier.entry id: 26973
chem comp identifier.identifier: {3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

1,26973,1
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 1
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: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,2
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,3
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,4
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 4
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.417
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.143
chem shift completeness char.sf id: 269730301

1,26973,5
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,6
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 269730301

1,26973,7
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,8
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,9
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,10
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,11
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 11
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.417
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.143
chem shift completeness char.sf id: 269730301

1,26973,12
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,13
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,14
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 14
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.375
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: 0.278
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 269730301

1,26973,15
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,16
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.100
chem shift completeness char.sf id: 269730301

1,26973,17
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 17
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,18
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 269730301

1,26973,19
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,20
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 269730301

1,26973,21
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 269730301

1,26973,22
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 22
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.250
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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,23
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,24
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 24
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.429
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: 0.313
chem shift completeness char.comp id: TYR
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: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 269730301

1,26973,25
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 25
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 269730301

1,26973,26
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 26
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.429
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: 0.313
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 269730301

1,26973,27
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 269730301

1,26973,28
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 269730301

1,26973,29
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 269730301

1,26973,30
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 30
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,31
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,32
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 269730301

1,26973,33
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,34
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,35
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,36
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
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: 0.357
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,37
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 37
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 0.167
chem shift completeness char.arom chem shift coverage: 0.167
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.375
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: 0.350
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 59
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.125
chem shift completeness char.sc chem shift coverage: 0.200
chem shift completeness char.sf id: 269730301

1,26973,38
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 269730301

1,26973,39
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 39
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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: 0.455
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,40
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 40
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 269730301

1,26973,41
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 41
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 269730301

1,26973,42
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 42
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 64
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,43
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 43
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: 0.400
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: 0.308
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.125
chem shift completeness char.sf id: 269730301

1,26973,44
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 44
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 269730301

1,26973,45
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 45
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: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.286
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.125
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 269730301

1,26973,46
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 46
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,47
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 269730301

1,26973,48
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 48
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,49
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,50
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.647
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.375
chem shift completeness char.sc chem shift coverage: 0.583
chem shift completeness char.sf id: 269730301

1,26973,51
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 73
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,52
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 52
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 269730301

1,26973,53
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 75
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 269730301

1,26973,54
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 54
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 76
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,55
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,56
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 269730301

1,26973,57
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 57
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,58
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.231
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.125
chem shift completeness char.sf id: 269730301

1,26973,59
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 59
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: 0.333
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: 0.286
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,60
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 60
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 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: 0.250
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: 0.222
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 82
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 269730301

1,26973,61
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 61
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,62
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 62
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 269730301

1,26973,63
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 63
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,64
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 64
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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: 0.455
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,65
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 65
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,66
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 66
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,67
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 67
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,68
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 68
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,69
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,70
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 70
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.375
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: 0.278
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 269730301

1,26973,71
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 71
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
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: 0.357
chem shift completeness char.comp id: ILE
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,72
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 72
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.385
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.125
chem shift completeness char.sf id: 269730301

1,26973,73
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 73
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,74
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 74
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 269730301

1,26973,75
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 75
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 269730301

1,26973,76
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 76
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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: 0.357
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
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: 0.111
chem shift completeness char.sf id: 269730301

1,26973,77
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 77
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 269730301

1,26973,78
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 78
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.417
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.143
chem shift completeness char.sf id: 269730301

1,26973,79
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 79
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 269730301

1,26973,80
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 80
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,81
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 81
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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: 0.455
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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 269730301

1,26973,82
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 82
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
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: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,83
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 83
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 83
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 269730301

1,26973,84
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 84
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 84
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 269730301

1,26973,85
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 85
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: 0.333
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: 0.286
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,86
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 86
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: 0.333
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: 0.235
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 86
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 269730301

1,26973,87
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 87
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 269730301

1,26973,88
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 88
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 269730301

1,26973,89
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 89
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLU
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.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: 269730301

1,26973,90
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 90
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 90
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 269730301

1,26973,91
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 91
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.933
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 91
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.857
chem shift completeness char.sc chem shift coverage: 0.900
chem shift completeness char.sf id: 269730301

1,26973,92
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 92
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 269730301

1,26973,93
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 93
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 93
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 269730301

1,26973,94
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 94
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 94
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,95
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 95
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 95
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 269730301

1,26973,96
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 96
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 96
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 269730301

1,26973,97
type: chem shift completeness char
of datablock: info:bmrb/26973
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26973
chem shift completeness char.id: 97
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.313
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 97
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
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chem shift completeness char.sc chem shift coverage: 0.091
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1,26973,98
type: chem shift completeness char
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reference to entry: entry
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chem shift completeness char.id: 98
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chem shift completeness char.bb chem shift coverage: 0.667
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: 0.143
chem shift completeness char.chem shift coverage: 0.286
chem shift completeness char.comp id: LEU
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chem shift completeness char.methyl chem shift coverage: 0.000
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chem shift completeness char.sc chem shift coverage: 0.111
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1,26973,99
type: chem shift completeness char
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reference to entry: entry
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chem shift completeness char.id: 99
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chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
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1,26973,100
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reference to entry: entry
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1,26973,101
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1,26973,102
type: chem shift completeness char
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chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
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chem shift completeness char.sc chem shift coverage: 0.250
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1,26973,103
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chem shift completeness char.bb chem shift coverage: 0.833
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1,26973,104
type: chem shift completeness char
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reference to entry: entry
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1,26973
type: chem shift completeness list
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chem shift completeness list.bb chem shift fraction: 453/616
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chem shift completeness list.entity polymer type: polypeptide(L)
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chem shift completeness list.queried date: 2020-07-22Z
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1,H,1,26973,water
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26973,1
type: citation
of datablock: info:bmrb/26973
reference to entry: entry
citation.entry id: 26973
citation.id: 1
citation.class: entry citation
citation.doi: 10.1007/s12104-017-9740-0
citation.journal abbrev: Biomol. NMR Assign.
citation.journal issn: 1874-2718
citation.journal issue: 2
citation.journal name full: Biomolecular NMR assignments
citation.journal volume: 11
citation.page first: 165
citation.page last: 168
citation.pubmed id: 28260216
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Near-complete backbone resonance assignments of acid-denatured human cytochrome c in dimethylsulfoxide: a prelude to studying interactions with phospholipids.
citation.type: journal
citation.year: 2017

info:doi/10.1007/s12104-017-9740-0

doi:10.1007/s12104-017-9740-0

urn:ISSN:1874-2718

issn:1874-2718

info:pmid/28260216

pubmed:28260216

1,26973,1
type: citation author
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citation author.citation id: 1
citation author.entry id: 26973
citation author.ordinal: 1
citation author.family name: Karsisiotis
citation author.given name: Andreas Ioannis
citation author.pdbx name: Karsisiotis, A.

1,26973,2
type: citation author
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citation author.citation id: 1
citation author.entry id: 26973
citation author.ordinal: 2
citation author.family name: Deacon
citation author.given name: Oliver
citation author.middle initials: M.
citation author.pdbx name: Deacon, O.M.

1,26973,3
type: citation author
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citation author.citation id: 1
citation author.entry id: 26973
citation author.ordinal: 3
citation author.family name: Macdonald
citation author.given name: Colin
citation author.pdbx name: Macdonald, C.

1,26973,4
type: citation author
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citation author.citation id: 1
citation author.entry id: 26973
citation author.ordinal: 4
citation author.family name: Blumenschein
citation author.given name: Tharin
citation author.middle initials: MA
citation author.pdbx name: Blumenschein, T.MA.

1,26973,5
type: citation author
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citation author.citation id: 1
citation author.entry id: 26973
citation author.ordinal: 5
citation author.family name: Moore
citation author.given name: Geoffrey
citation author.middle initials: R.
citation author.pdbx name: Moore, G.R.

1,26973,6
type: citation author
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citation author.citation id: 1
citation author.entry id: 26973
citation author.ordinal: 6
citation author.family name: Worrall
citation author.given name: Jonathan
citation author.middle initials: AR
citation author.pdbx name: Worrall, J.AR.

1,26973,Apoptosis
type: citation keyword
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citation keyword.keyword: Apoptosis

1,26973,Cardiolipin
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citation keyword.citation id: 1
citation keyword.entry id: 26973
citation keyword.keyword: Cardiolipin

1,26973,Cytochrome c
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 26973
citation keyword.keyword: Cytochrome c

1,26973,DMSO
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citation keyword.entry id: 26973
citation keyword.keyword: DMSO

1,26973,H/D exchange
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citation keyword.citation id: 1
citation keyword.entry id: 26973
citation keyword.keyword: H/D exchange

1,26973,NMR spectroscopy
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 26973
citation keyword.keyword: NMR spectroscopy

26973,assigned chemical shifts
type: data set
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reference to entry: entry
data set.entry id: 26973
data set.type: assigned_chemical_shifts
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26973,13C chemical shifts
type: datum
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reference to entry: entry
datum.entry id: 26973
datum.type: 13C chemical shifts
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26973,15N chemical shifts
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reference to entry: entry
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datum.type: 15N chemical shifts
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26973,1H chemical shifts
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datum.type: 1H chemical shifts
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26973,1
type: entity
of datablock: info:bmrb/26973
reference to entry: entry
entity.entry id: 26973
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 11617.39
entity.name: HCC
entity.nstd chirality: no
entity.nstd linkage: yes
entity.nstd monomer: no
entity.number of monomers: 104
entity.paramagnetic: no
entity.parent entity id: 0
entity.polymer seq one letter code: GDVEKGKKIFIMKCSQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGYSYTAANKNKGIIWGEDTLMEYLENPKKYIPGTKMIFVGIKKKEERADLIAYLKKATNE
entity.polymer seq one letter code can: GDVEKGKKIFIMKCSQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGYSYTAANKNKGIIWGEDTLMEYLENPKKYIPGTKMIFVGIKKKEERADLIAYLKKATNE
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: HCC
entity.thiol state: all other bound
entity.type: polymer

26973,2
type: entity
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reference to entry: entry
entity.entry id: 26973
entity.id: 2
entity.bmrb code: HEC
entity.formula weight: 618.503
entity.name: entity HEC
entity.nonpolymer comp id: HEC
entity.nonpolymer comp label: chem_comp_HEC
entity.number of nonpolymer components: 1
entity.parent entity id: 2
entity.polymer seq one letter code can: (HEC)
entity.sf category: entity
entity.sf framecode: entity_HEC
entity.type: non-polymer

1,26973,1
type: entity assembly
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entity assembly.entry id: 26973
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: Human Cyt c
entity assembly.entity id: 1
entity assembly.entity label: HCC
entity assembly.experimental data reported: yes
entity assembly.physical state: denatured

1,26973,2
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entity assembly.entry id: 26973
entity assembly.id: 2
entity assembly.asym id: B
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: Heme
entity assembly.entity id: 2
entity assembly.entity label: entity_HEC
entity assembly.experimental data reported: no
entity assembly.physical state: native

2,26973,HEME C,BMRB
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entity common name.entry id: 26973
entity common name.name: HEME C
entity common name.type: BMRB

1,26973,1
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1,26973,10
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1,26973,11
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http://bmrbpub.pdbj.org/rdf/bmr26973/entry/26973
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entry.id: 26973
entry.accession date: 2016-12-14Z
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2016-12-14Z
entry.nmr star version: 3.2.0.16
entry.original nmr star version: 3.1
entry.original release date: 2016-12-14Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2016-12-14Z
entry.title: Near-complete backbone resonance assignments of acid-denatured human cytochrome c in DMSO: a prelude to studying interactions with phospholipids
entry.type: macromolecule
entry.version type: original

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experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: DMSO_conditions_1
experiment.sample id: 1
experiment.sample label: DMSO_Sample_1
experiment.sample state: isotropic

26973,1,5
type: experiment
of datablock: info:bmrb/26973
experiment.entry id: 26973
experiment.experiment list id: 1
experiment.id: 5
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D HN(CA)CO
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: DMSO_conditions_1
experiment.sample id: 1
experiment.sample label: DMSO_Sample_1
experiment.sample state: isotropic

26973,1,6
type: experiment
of datablock: info:bmrb/26973
experiment.entry id: 26973
experiment.experiment list id: 1
experiment.id: 6
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D HNN
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: DMSO_conditions_1
experiment.sample id: 1
experiment.sample label: DMSO_Sample_1
experiment.sample state: isotropic

26973,1
type: experiment list
of datablock: info:bmrb/26973
reference to entry: entry
experiment list.entry id: 26973
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

26973,1,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.sf id: 269730101
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26973,2,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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26973,3,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.entity id: 1
lacs char.sf id: 269730101
lacs char.x coord val: -1.93
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26973,4,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 4
lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,5,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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26973,6,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,7,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,8,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: GLN
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lacs char.entity id: 1
lacs char.sf id: 269730101
lacs char.x coord val: -2.77
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26973,9,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 9
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: HIS
lacs char.comp index id: 18
lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 269730101
lacs char.x coord val: -6.13
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26973,10,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 10
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: THR
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lacs char.entity id: 1
lacs char.sf id: 269730101
lacs char.x coord val: -0.86
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26973,11,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 11
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: VAL
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,12,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 12
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.designator: 1
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lacs char.sf id: 269730101
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26973,13,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 13
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,14,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 14
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.designator: 1
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lacs char.sf id: 269730101
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26973,15,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 15
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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26973,16,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,17,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,18,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: ASN
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lacs char.sf id: 269730101
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26973,19,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 19
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: LEU
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lacs char.designator: 1
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lacs char.sf id: 269730101
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26973,20,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 20
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
lacs char.x coord val: -0.51
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26973,21,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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26973,22,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 22
lacs char.lacs plot id: 1
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26973,23,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 23
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: ARG
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lacs char.designator: 1
lacs char.entity assembly id: 1
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lacs char.sf id: 269730101
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26973,24,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 24
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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26973,25,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 25
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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26973,26,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: GLN
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lacs char.sf id: 269730101
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26973,27,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 27
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: ALA
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lacs char.sf id: 269730101
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26973,28,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 28
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: TYR
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lacs char.designator: 1
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lacs char.sf id: 269730101
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26973,29,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 29
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,30,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 30
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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26973,31,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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26973,32,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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26973,33,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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26973,34,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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26973,35,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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26973,36,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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26973,37,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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26973,38,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 38
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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26973,39,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 39
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,40,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 40
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,41,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
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26973,42,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 42
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,43,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: THR
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,44,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 44
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: LEU
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26973,45,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,46,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,47,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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26973,48,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.sf id: 269730101
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lacs char.y coord val: -4.06

26973,49,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.sf id: 269730101
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26973,50,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 1
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26973,51,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 1
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26973,52,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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lacs char.y coord val: -3.32

26973,53,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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26973,54,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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lacs char.y coord val: -2.97

26973,55,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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lacs char.y coord val: -2.84

26973,56,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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lacs char.y coord val: -2.26

26973,57,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 57
lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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lacs char.y coord val: -3.51

26973,58,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 58
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,59,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,60,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,61,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,62,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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26973,63,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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26973,64,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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26973,65,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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26973,66,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.sf id: 269730101
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26973,67,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,68,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,69,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 269730101
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26973,70,1
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730101
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26973,71,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 269730102
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lacs char.y coord val: 1.69

26973,72,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 72
lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
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26973,73,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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26973,74,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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26973,75,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 2
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26973,76,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 2
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26973,77,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,78,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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26973,79,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,80,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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26973,81,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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26973,82,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,83,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,84,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 2
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26973,85,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 2
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lacs char.entity id: 1
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26973,86,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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lacs char.comp id: LYS
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lacs char.sf id: 269730102
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26973,87,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 2
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lacs char.entity id: 1
lacs char.sf id: 269730102
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26973,88,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASN
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lacs char.entity id: 1
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26973,89,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,90,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 90
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: HIS
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lacs char.entity id: 1
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26973,91,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.sf id: 269730102
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26973,92,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: PHE
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26973,93,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,94,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,95,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,96,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,97,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,98,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,99,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,100,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,101,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,102,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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lacs char.entity id: 1
lacs char.sf id: 269730102
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26973,103,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,104,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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lacs char.sf id: 269730102
lacs char.x coord val: -1.26
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26973,105,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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lacs char.entity id: 1
lacs char.sf id: 269730102
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26973,106,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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lacs char.entity id: 1
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26973,107,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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lacs char.sf id: 269730102
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26973,108,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.sf id: 269730102
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26973,109,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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lacs char.sf id: 269730102
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26973,110,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,111,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,112,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,113,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,114,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,115,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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lacs char.lacs plot id: 2
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26973,116,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,117,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,118,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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lacs char.lacs plot id: 2
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26973,119,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,120,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
lacs char.entry id: 26973
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26973,121,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,122,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,123,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,124,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,125,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,126,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,127,2
type: lacs char
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reference to entry: entry
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26973,128,2
type: lacs char
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26973,129,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,130,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,131,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,132,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,133,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,134,2
type: lacs char
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reference to entry: entry
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26973,135,2
type: lacs char
of datablock: info:bmrb/26973
reference to entry: entry
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26973,136,2
type: lacs char
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reference to entry: entry
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26973,137,2
type: lacs char
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reference to entry: entry
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26973,138,2
type: lacs char
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reference to entry: entry
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26973,139,2
type: lacs char
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reference to entry: entry
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26973,140,2
type: lacs char
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reference to entry: entry
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26973,141,3
type: lacs char
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reference to entry: entry
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26973,142,3
type: lacs char
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26973,143,3
type: lacs char
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26973,144,3
type: lacs char
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26973,145,3
type: lacs char
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26973,146,3
type: lacs char
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26973,147,3
type: lacs char
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26973,148,3
type: lacs char
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26973,149,3
type: lacs char
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26973,150,3
type: lacs char
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26973,151,3
type: lacs char
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26973,152,3
type: lacs char
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26973,153,3
type: lacs char
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26973,154,3
type: lacs char
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26973,155,3
type: lacs char
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26973,156,3
type: lacs char
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26973,157,3
type: lacs char
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26973,158,3
type: lacs char
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26973,159,3
type: lacs char
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26973,160,3
type: lacs char
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26973,161,3
type: lacs char
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26973,162,3
type: lacs char
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26973,163,3
type: lacs char
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26973,164,3
type: lacs char
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26973,165,3
type: lacs char
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26973,166,3
type: lacs char
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26973,167,3
type: lacs char
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26973,168,3
type: lacs char
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26973,169,3
type: lacs char
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26973,170,3
type: lacs char
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26973,171,3
type: lacs char
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26973,172,3
type: lacs char
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26973,173,3
type: lacs char
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26973,174,3
type: lacs char
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26973,175,3
type: lacs char
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26973,176,3
type: lacs char
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26973,177,3
type: lacs char
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type: lacs char
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26973,180,3
type: lacs char
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26973,181,3
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26973,182,3
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26973,183,3
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26973,184,3
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26973,185,3
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26973,186,3
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26973,187,3
type: lacs char
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type: lacs char
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26973,189,3
type: lacs char
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26973,190,3
type: lacs char
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type: lacs char
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26973,192,3
type: lacs char
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26973,194,3
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26973,199,3
type: lacs char
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26973,200,3
type: lacs char
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lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 269730103
lacs char.x coord val: -2.62
lacs char.y coord val: -5.01

26973,201,3
type: lacs char
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lacs char.entry id: 26973
lacs char.id: 201
lacs char.lacs plot id: 3
lacs char.assembly id: 1
lacs char.comp id: THR
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 269730103
lacs char.x coord val: -0.69
lacs char.y coord val: 1.37

26973,202,3
type: lacs char
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lacs char.entry id: 26973
lacs char.id: 202
lacs char.lacs plot id: 3
lacs char.assembly id: 1
lacs char.comp id: ASN
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 269730103
lacs char.x coord val: -1.58
lacs char.y coord val: -3.81

26973,203,3
type: lacs char
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reference to entry: entry
lacs char.entry id: 26973
lacs char.id: 203
lacs char.lacs plot id: 3
lacs char.assembly id: 1
lacs char.comp id: GLU
lacs char.comp index id: 104
lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 269730103
lacs char.x coord val: -1.59
lacs char.y coord val: -3.26

26973,1
type: lacs plot
of datablock: info:bmrb/26973
reference to entry: entry
lacs plot.entry id: 26973
lacs plot.id: 1
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr26973_LACS.str
lacs plot.input file name: bmr26973_21.str
lacs plot.line 1 terminator val x 1: -7.84
lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: -6.09
lacs plot.line 1 terminator val y 2: -1.57
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 1.32
lacs plot.line 2 terminator val y 1: -2.29
lacs plot.line 2 terminator val y 2: -3.53
lacs plot.output file name: bmr26973_LACS.str
lacs plot.queried date: 2021-09-30Z
lacs plot.sf category: LACS_plot
lacs plot.sf framecode: LACS_CACB_CA_output
lacs plot.sf id: 269730101
lacs plot.source release date: 2018-04-17Z
lacs plot.x coord name: CA-CB
lacs plot.y axis chem shift offset: 2.76
lacs plot.y coord name: CA

26973,2
type: lacs plot
of datablock: info:bmrb/26973
reference to entry: entry
lacs plot.entry id: 26973
lacs plot.id: 2
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr26973_LACS.str
lacs plot.input file name: bmr26973_21.str
lacs plot.line 1 terminator val x 1: -7.84
lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: 1.75
lacs plot.line 1 terminator val y 2: -3.57
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 1.32
lacs plot.line 2 terminator val y 1: -0.29
lacs plot.line 2 terminator val y 2: -4.85
lacs plot.output file name: bmr26973_LACS.str
lacs plot.queried date: 2021-09-30Z
lacs plot.sf category: LACS_plot
lacs plot.sf framecode: LACS_CACB_CB_output
lacs plot.sf id: 269730102
lacs plot.source release date: 2018-04-17Z
lacs plot.x coord name: CA-CB
lacs plot.y axis chem shift offset: 2.76
lacs plot.y coord name: CB

26973,3
type: lacs plot
of datablock: info:bmrb/26973
reference to entry: entry
lacs plot.entry id: 26973
lacs plot.id: 3
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr26973_LACS.str
lacs plot.input file name: bmr26973_21.str
lacs plot.line 1 terminator val x 1: -6.13
lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: -4.56
lacs plot.line 1 terminator val y 2: -4.40
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 1.32
lacs plot.line 2 terminator val y 1: -4.48
lacs plot.line 2 terminator val y 2: -4.41
lacs plot.output file name: bmr26973_LACS.str
lacs plot.queried date: 2021-09-30Z
lacs plot.sf category: LACS_plot
lacs plot.sf framecode: LACS_CACB_CO_output
lacs plot.sf id: 269730103
lacs plot.source release date: 2018-04-17Z
lacs plot.x coord name: CA-CB
lacs plot.y axis chem shift offset: 4.44
lacs plot.y coord name: CO

26973,1
type: nmr spectrometer
of datablock: info:bmrb/26973
reference to entry: entry
nmr spectrometer.entry id: 26973
nmr spectrometer.id: 1
nmr spectrometer.details: 5 mm HCN inverse triple resonance z-axis gradient probe
nmr spectrometer.field strength: 800
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: spectrometer_1

26973,1
type: nmr spectrometer list
of datablock: info:bmrb/26973
reference to entry: entry
nmr spectrometer list.entry id: 26973
nmr spectrometer list.id: 1
nmr spectrometer list.sf category: NMR_spectrometer_list
nmr spectrometer list.sf framecode: NMR_spectrometer_list

26973,1,spectrometer 1,1
type: nmr spectrometer view
of datablock: info:bmrb/26973
nmr spectrometer view.entry id: 26973
nmr spectrometer view.id: 1
nmr spectrometer view.name: spectrometer_1
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.details: 5 mm HCN inverse triple resonance z-axis gradient probe
nmr spectrometer view.field strength: 800
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: Avance

26973,2
type: release
of datablock: info:bmrb/26973
reference to entry: entry
release.entry id: 26973
release.release number: 2
release.author: BMRB
release.date: 2018-04-12Z
release.detail: update entry citation
release.submission date: 2016-12-14Z
release.type: update

26973,1
type: release
of datablock: info:bmrb/26973
reference to entry: entry
release.entry id: 26973
release.release number: 1
release.author: author
release.date: 2017-03-27Z
release.detail: original release
release.submission date: 2016-12-14Z
release.type: original

26973,1
type: sample
of datablock: info:bmrb/26973
reference to entry: entry
sample.entry id: 26973
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: Ferric hcyt c was prepared by the addition of 1.5-fold excess of K3[Fe(CN)6] (Sigma) followed by removal of the excess K3[Fe(CN)6] and K4[Fe(CN)6] and desalted into 20 mM sodium phosphate pH 7 using a PD-column (GE-Healthcare). Samples were then concentrated using 5 kDa cut-off concentrators, acid-quenched with 0.3 % v/v trifluoracetic acid (TFA) (Acros Chemicals), flash frozen, freeze-dried overnight and stored at -20 oC.
sample.sf category: sample
sample.sf framecode: DMSO_Sample_1
sample.solvent system: DMSO
sample.type: solution

26973,1,1
type: sample component
of datablock: info:bmrb/26973
sample component.entry id: 26973
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 1
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: HCC
sample component.isotopic labeling: [U-99% 15N]
sample component.mol common name: HCC

26973,2,1
type: sample component
of datablock: info:bmrb/26973
sample component.entry id: 26973
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: % v/v
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: DMSO

26973,3,1
type: sample component
of datablock: info:bmrb/26973
sample component.entry id: 26973
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.2
sample component.concentration val units: % v/v
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: TFA

26973,4,1
type: sample component
of datablock: info:bmrb/26973
sample component.entry id: 26973
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium phosphate

26973,1
type: sample condition list
of datablock: info:bmrb/26973
reference to entry: entry
sample condition list.entry id: 26973
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: DMSO_conditions_1

26973,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/26973
sample condition variable.entry id: 26973
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 20
sample condition variable.val units: mM

26973,1,pH
type: sample condition variable
of datablock: info:bmrb/26973
sample condition variable.entry id: 26973
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 2.5
sample condition variable.val err: 0.5
sample condition variable.val units: pH

26973,1,pressure
type: sample condition variable
of datablock: info:bmrb/26973
sample condition variable.entry id: 26973
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

26973,1,temperature
type: sample condition variable
of datablock: info:bmrb/26973
sample condition variable.entry id: 26973
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 308
sample condition variable.val units: K

26973,1
type: software
of datablock: info:bmrb/26973
reference to entry: entry
software.entry id: 26973
software.id: 1
software.name: SPARKY
software.sf category: software
software.sf framecode: SPARKY

26973,2
type: software
of datablock: info:bmrb/26973
reference to entry: entry
software.entry id: 26973
software.id: 2
software.name: ANALYSIS
software.sf category: software
software.sf framecode: CCPN_Analysis

26973,3
type: software
of datablock: info:bmrb/26973
reference to entry: entry
software.entry id: 26973
software.id: 3
software.name: TOPSPIN
software.sf category: software
software.sf framecode: TOPSPIN

26973,4
type: software
of datablock: info:bmrb/26973
reference to entry: entry
software.entry id: 26973
software.id: 4
software.name: NMRPipe
software.sf category: software
software.sf framecode: NMRPipe

26973,5
type: software
of datablock: info:bmrb/26973
reference to entry: entry
software.entry id: 26973
software.id: 5
software.name: NMRDraw
software.sf category: software
software.sf framecode: NMRDraw

26973,1,chemical shift assignment
type: task
of datablock: info:bmrb/26973
task.entry id: 26973
task.software id: 1
task.task: chemical shift assignment

26973,2,chemical shift assignment
type: task
of datablock: info:bmrb/26973
task.entry id: 26973
task.software id: 2
task.task: chemical shift assignment

26973,3,collection
type: task
of datablock: info:bmrb/26973
task.entry id: 26973
task.software id: 3
task.task: collection

26973,3,processing
type: task
of datablock: info:bmrb/26973
task.entry id: 26973
task.software id: 3
task.task: processing

26973,4,processing
type: task
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task.entry id: 26973
task.software id: 4
task.task: processing

26973,5,processing
type: task
of datablock: info:bmrb/26973
task.entry id: 26973
task.software id: 5
task.task: processing

26973,Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax,4
type: vendor
of datablock: info:bmrb/26973
vendor.entry id: 26973
vendor.name: Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
vendor.software id: 4

26973,Goddard,1
type: vendor
of datablock: info:bmrb/26973
vendor.entry id: 26973
vendor.name: Goddard
vendor.software id: 1

26973,Bruker BioSpin,3
type: vendor
of datablock: info:bmrb/26973
vendor.entry id: 26973
vendor.name: Bruker BioSpin
vendor.software id: 3

26973,CCPN,2
type: vendor
of datablock: info:bmrb/26973
vendor.entry id: 26973
vendor.name: CCPN
vendor.software id: 2
vendor.electronic address: http://www.ccpn.ac.uk/v2-software/software/analysis

26973,Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax,5
type: vendor
of datablock: info:bmrb/26973
vendor.entry id: 26973
vendor.name: Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
vendor.software id: 5