info:bmrb/26578
type: datablock
references: doi:10.13018/BMR26578
alternative label: bmr26578
title: NMR Assignment of Homo sapiens cytochrome c in its oxidized state
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atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: CYS
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: 113.534
atom chem shift.val err: 0.001

1,26578,34
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 34
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 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: 10.728
atom chem shift.val err: 0.001

1,26578,35
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 35
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: HIS
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: 118.287
atom chem shift.val err: 0.001

1,26578,36
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 36
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: THR
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: 10.450
atom chem shift.val err: 0.001

1,26578,37
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 37
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 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: 113.616
atom chem shift.val err: 0.001

1,26578,38
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 38
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 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: 8.880
atom chem shift.val err: 0.001

1,26578,39
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: VAL
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: 112.013
atom chem shift.val err: 0.001

1,26578,40
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: LYS
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: 9.031
atom chem shift.val err: 0.001

1,26578,41
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 126.771
atom chem shift.val err: 0.001

1,26578,42
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 42
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 9.318
atom chem shift.val err: 0.001

1,26578,43
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 43
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 117.787
atom chem shift.val err: 0.001

1,26578,44
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 44
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 8.224
atom chem shift.val err: 0.001

1,26578,45
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 45
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 107.900
atom chem shift.val err: 0.001

1,26578,46
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 46
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 8.801
atom chem shift.val err: 0.001

1,26578,47
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 47
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 118.895
atom chem shift.val err: 0.001

1,26578,48
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 48
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 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: 8.779
atom chem shift.val err: 0.001

1,26578,49
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: HIS
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: 122.060
atom chem shift.val err: 0.001

1,26578,50
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: LYS
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: 8.099
atom chem shift.val err: 0.001

1,26578,51
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 51
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 126.145
atom chem shift.val err: 0.001

1,26578,52
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 52
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 7.193
atom chem shift.val err: 0.001

1,26578,53
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 53
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 103.736
atom chem shift.val err: 0.001

1,26578,54
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 54
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 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: 11.645
atom chem shift.val err: 0.001

1,26578,55
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 55
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD21
atom chem shift.auth comp id: ASN
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: 8.078
atom chem shift.val err: 0.001

1,26578,56
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD22
atom chem shift.auth comp id: ASN
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: 8.898
atom chem shift.val err: 0.001

1,26578,57
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 57
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 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: 127.501
atom chem shift.val err: 0.001

1,26578,58
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 58
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: ND2
atom chem shift.auth comp id: ASN
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: 115.345
atom chem shift.val err: 0.003

1,26578,59
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 59
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 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: 9.502
atom chem shift.val err: 0.001

1,26578,60
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 60
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 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: 122.148
atom chem shift.val err: 0.001

1,26578,61
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 61
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
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: 8.119
atom chem shift.val err: 0.001

1,26578,62
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 62
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
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: 120.266
atom chem shift.val err: 0.001

1,26578,63
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 63
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
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: 8.959
atom chem shift.val err: 0.001

1,26578,64
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: GLY
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: 115.097
atom chem shift.val err: 0.001

1,26578,65
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: LEU
atom chem shift.auth seq id: 35
atom chem shift.comp id: LEU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 7.064
atom chem shift.val err: 0.001

1,26578,66
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 66
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 35
atom chem shift.comp id: LEU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 117.191
atom chem shift.val err: 0.001

1,26578,67
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 67
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 36
atom chem shift.comp id: PHE
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 8.643
atom chem shift.val err: 0.001

1,26578,68
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 68
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 36
atom chem shift.comp id: PHE
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 112.661
atom chem shift.val err: 0.001

1,26578,69
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 69
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 37
atom chem shift.comp id: GLY
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 8.890
atom chem shift.val err: 0.001

1,26578,70
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 37
atom chem shift.comp id: GLY
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 111.176
atom chem shift.val err: 0.001

1,26578,71
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 71
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 38
atom chem shift.comp id: ARG
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 8.090
atom chem shift.val err: 0.001

1,26578,72
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 72
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 38
atom chem shift.comp id: ARG
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 123.509
atom chem shift.val err: 0.001

1,26578,73
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 73
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: LYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 8.079
atom chem shift.val err: 0.001

1,26578,74
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: LYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: LYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 122.210
atom chem shift.val err: 0.001

1,26578,75
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 75
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: THR
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: 7.532
atom chem shift.val err: 0.001

1,26578,76
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 76
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 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: 109.882
atom chem shift.val err: 0.001

1,26578,77
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 77
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 9.072
atom chem shift.val err: 0.001

1,26578,78
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 78
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 109.591
atom chem shift.val err: 0.001

1,26578,79
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 79
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 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: 7.717
atom chem shift.val err: 0.001

1,26578,80
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 80
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE21
atom chem shift.auth comp id: GLN
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: 6.812
atom chem shift.val err: 0.001

1,26578,81
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 81
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE22
atom chem shift.auth comp id: GLN
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: 7.336
atom chem shift.val err: 0.001

1,26578,82
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: GLN
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: 113.265
atom chem shift.val err: 0.001

1,26578,83
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 83
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE2
atom chem shift.auth comp id: GLN
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: 113.602
atom chem shift.val err: 0.002

1,26578,84
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 84
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
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: 8.130
atom chem shift.val err: 0.001

1,26578,85
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 85
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 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: 125.763
atom chem shift.val err: 0.001

1,26578,86
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: TYR
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: 6.800
atom chem shift.val err: 0.001

1,26578,87
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 87
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 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: 119.428
atom chem shift.val err: 0.001

1,26578,88
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 88
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: SER
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: 6.574
atom chem shift.val err: 0.001

1,26578,89
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 89
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: SER
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: 122.703
atom chem shift.val err: 0.001

1,26578,90
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 90
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: TYR
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: 7.554
atom chem shift.val err: 0.001

1,26578,91
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 91
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 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: 124.680
atom chem shift.val err: 0.001

1,26578,92
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 92
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 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: 9.618
atom chem shift.val err: 0.001

1,26578,93
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 93
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 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: 112.929
atom chem shift.val err: 0.001

1,26578,94
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 94
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 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: 8.602
atom chem shift.val err: 0.001

1,26578,95
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: ALA
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: 125.006
atom chem shift.val err: 0.001

1,26578,96
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: ALA
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: 7.885
atom chem shift.val err: 0.001

1,26578,97
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 97
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 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: 117.850
atom chem shift.val err: 0.001

1,26578,98
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 98
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 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: 8.505
atom chem shift.val err: 0.001

1,26578,99
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 99
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD21
atom chem shift.auth comp id: ASN
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: 7.277
atom chem shift.val err: 0.001

1,26578,100
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 100
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD22
atom chem shift.auth comp id: ASN
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: 7.694
atom chem shift.val err: 0.001

1,26578,101
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 101
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
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: 117.316
atom chem shift.val err: 0.001

1,26578,102
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 102
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: ND2
atom chem shift.auth comp id: ASN
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: 109.567
atom chem shift.val err: 0.001

1,26578,103
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 103
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 8.509
atom chem shift.val err: 0.001

1,26578,104
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 104
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
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: 121.240
atom chem shift.val err: 0.001

1,26578,105
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 105
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 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: 8.201
atom chem shift.val err: 0.001

1,26578,106
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 106
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ASN
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: 6.897
atom chem shift.val err: 0.001

1,26578,107
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 107
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ASN
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: 7.427
atom chem shift.val err: 0.001

1,26578,108
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 108
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 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: 113.081
atom chem shift.val err: 0.001

1,26578,109
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 109
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: ND2
atom chem shift.auth comp id: ASN
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: 112.161
atom chem shift.val err: 0.001

1,26578,110
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 110
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: LYS
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: 6.987
atom chem shift.val err: 0.001

1,26578,111
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 111
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 55
atom chem shift.comp id: LYS
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 121.530
atom chem shift.val err: 0.001

1,26578,112
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 112
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 7.752
atom chem shift.val err: 0.001

1,26578,113
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 113
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 103.167
atom chem shift.val err: 0.001

1,26578,114
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 114
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 57
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: 6.463
atom chem shift.val err: 0.001

1,26578,115
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 115
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 57
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: 110.660
atom chem shift.val err: 0.001

1,26578,116
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 116
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: ILE
atom chem shift.auth seq id: 58
atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 8.164
atom chem shift.val err: 0.001

1,26578,117
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 58
atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 119.269
atom chem shift.val err: 0.001

1,26578,118
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: TRP
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 8.643
atom chem shift.val err: 0.001

1,26578,119
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 119
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: TRP
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: 9.497
atom chem shift.val err: 0.001

1,26578,120
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 120
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: TRP
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: 130.596
atom chem shift.val err: 0.001

1,26578,121
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 121
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE1
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE1
atom chem shift.auth comp id: TRP
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: 125.473
atom chem shift.val err: 0.001

1,26578,122
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 122
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 60
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: 7.682
atom chem shift.val err: 0.001

1,26578,123
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 123
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 60
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: 111.288
atom chem shift.val err: 0.001

1,26578,124
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 124
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: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 9.540
atom chem shift.val err: 0.001

1,26578,125
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 125
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 61
atom chem shift.comp id: GLU
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 120.579
atom chem shift.val err: 0.001

1,26578,126
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 126
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: ASP
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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: 8.335
atom chem shift.val err: 0.001

1,26578,127
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 127
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASP
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: 115.286
atom chem shift.val err: 0.001

1,26578,128
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 128
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.auth comp id: THR
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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: 8.227
atom chem shift.val err: 0.001

1,26578,129
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 129
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 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: 113.073
atom chem shift.val err: 0.001

1,26578,130
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 130
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.auth comp id: LEU
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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: 8.513
atom chem shift.val err: 0.001

1,26578,131
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 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: 120.582
atom chem shift.val err: 0.001

1,26578,132
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 132
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.auth comp id: MET
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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: 7.668
atom chem shift.val err: 0.001

1,26578,133
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 133
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: MET
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: 118.953
atom chem shift.val err: 0.001

1,26578,134
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 134
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 66
atom chem shift.comp id: GLU
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 6.796
atom chem shift.val err: 0.001

1,26578,135
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 135
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 66
atom chem shift.comp id: GLU
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 117.722
atom chem shift.val err: 0.001

1,26578,136
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 136
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: TYR
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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: 8.099
atom chem shift.val err: 0.001

1,26578,137
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 137
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 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: 121.308
atom chem shift.val err: 0.001

1,26578,138
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 138
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 8.007
atom chem shift.val err: 0.001

1,26578,139
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 139
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LEU
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: 110.992
atom chem shift.val err: 0.001

1,26578,140
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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atom chem shift.auth comp id: GLU
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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: 6.747
atom chem shift.val err: 0.001

1,26578,141
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 141
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 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: 118.836
atom chem shift.val err: 0.001

1,26578,142
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 142
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 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: 6.638
atom chem shift.val err: 0.001

1,26578,143
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 143
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD21
atom chem shift.auth comp id: ASN
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: 6.904
atom chem shift.val err: 0.001

1,26578,144
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 144
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD22
atom chem shift.auth comp id: ASN
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: 7.881
atom chem shift.val err: 0.001

1,26578,145
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 145
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 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: 105.368
atom chem shift.val err: 0.001

1,26578,146
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 146
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: ND2
atom chem shift.auth comp id: ASN
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: 112.340
atom chem shift.val err: 0.001

1,26578,147
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 147
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 9.327
atom chem shift.val err: 0.001

1,26578,148
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 148
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 115.751
atom chem shift.val err: 0.001

1,26578,149
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 149
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 7.773
atom chem shift.val err: 0.001

1,26578,150
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 150
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
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: 119.376
atom chem shift.val err: 0.001

1,26578,151
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 151
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 74
atom chem shift.comp id: TYR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 8.089
atom chem shift.val err: 0.001

1,26578,152
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 152
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 74
atom chem shift.comp id: TYR
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 120.499
atom chem shift.val err: 0.001

1,26578,153
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 153
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 9.377
atom chem shift.val err: 0.001

1,26578,154
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 154
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 114.999
atom chem shift.val err: 0.001

1,26578,155
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 155
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 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: 9.140
atom chem shift.val err: 0.001

1,26578,156
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 156
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
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: 112.120
atom chem shift.val err: 0.001

1,26578,157
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 157
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: THR
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: 9.001
atom chem shift.val err: 0.001

1,26578,158
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 158
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 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: 115.318
atom chem shift.val err: 0.001

1,26578,159
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 159
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 8.233
atom chem shift.val err: 0.001

1,26578,160
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 160
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 123.039
atom chem shift.val err: 0.001

1,26578,161
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 161
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 80
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: 9.174
atom chem shift.val err: 0.001

1,26578,162
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 162
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 80
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: 123.254
atom chem shift.val err: 0.001

1,26578,163
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 163
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 81
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: 8.440
atom chem shift.val err: 0.001

1,26578,164
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 164
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 81
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: 135.513
atom chem shift.val err: 0.001

1,26578,165
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 165
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 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: 9.031
atom chem shift.val err: 0.001

1,26578,166
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 166
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 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: 126.565
atom chem shift.val err: 0.001

1,26578,167
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 167
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 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: 8.003
atom chem shift.val err: 0.001

1,26578,168
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 168
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
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: 127.001
atom chem shift.val err: 0.001

1,26578,169
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 169
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
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: 7.870
atom chem shift.val err: 0.001

1,26578,170
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 170
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 85
atom chem shift.comp id: ILE
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 120.180
atom chem shift.val err: 0.001

1,26578,171
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 171
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 8.232
atom chem shift.val err: 0.001

1,26578,172
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 172
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 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: 127.669
atom chem shift.val err: 0.001

1,26578,173
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 173
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 87
atom chem shift.comp id: LYS
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 8.188
atom chem shift.val err: 0.001

1,26578,174
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 174
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 87
atom chem shift.comp id: LYS
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 120.154
atom chem shift.val err: 0.001

1,26578,175
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 175
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 88
atom chem shift.comp id: LYS
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 8.734
atom chem shift.val err: 0.001

1,26578,176
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 176
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 88
atom chem shift.comp id: LYS
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 129.999
atom chem shift.val err: 0.001

1,26578,177
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 177
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 89
atom chem shift.comp id: GLU
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 9.281
atom chem shift.val err: 0.001

1,26578,178
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 178
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 89
atom chem shift.comp id: GLU
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 117.939
atom chem shift.val err: 0.001

1,26578,179
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 179
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 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: 6.175
atom chem shift.val err: 0.001

1,26578,180
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 180
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 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: 116.411
atom chem shift.val err: 0.001

1,26578,181
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 181
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 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: 7.136
atom chem shift.val err: 0.001

1,26578,182
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: ARG
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: 117.033
atom chem shift.val err: 0.001

1,26578,183
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 183
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 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: 8.350
atom chem shift.val err: 0.001

1,26578,184
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 184
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 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: 119.991
atom chem shift.val err: 0.001

1,26578,185
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 185
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 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: 8.034
atom chem shift.val err: 0.001

1,26578,186
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: ASP
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: 122.088
atom chem shift.val err: 0.001

1,26578,187
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: LEU
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: 7.783
atom chem shift.val err: 0.001

1,26578,188
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 188
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 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: 120.831
atom chem shift.val err: 0.001

1,26578,189
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 189
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 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: 8.453
atom chem shift.val err: 0.001

1,26578,190
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 190
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 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: 119.688
atom chem shift.val err: 0.001

1,26578,191
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 191
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
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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: 7.731
atom chem shift.val err: 0.001

1,26578,192
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 192
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 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: 122.619
atom chem shift.val err: 0.001

1,26578,193
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 193
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 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: 7.869
atom chem shift.val err: 0.001

1,26578,194
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 194
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 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: 117.863
atom chem shift.val err: 0.001

1,26578,195
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 195
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 98
atom chem shift.comp id: LEU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 8.706
atom chem shift.val err: 0.001

1,26578,196
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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: LEU
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
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 118.879
atom chem shift.val err: 0.001

1,26578,197
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 197
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: LYS
atom chem shift.auth seq id: 99
atom chem shift.comp id: LYS
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 8.794
atom chem shift.val err: 0.001

1,26578,198
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 198
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 99
atom chem shift.comp id: LYS
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 123.829
atom chem shift.val err: 0.001

1,26578,199
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 199
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: LYS
atom chem shift.auth seq id: 100
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: 6.696
atom chem shift.val err: 0.001

1,26578,200
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 200
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 100
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: 116.963
atom chem shift.val err: 0.001

1,26578,201
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 201
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ALA
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: 8.594
atom chem shift.val err: 0.001

1,26578,202
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 202
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 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: 119.590
atom chem shift.val err: 0.001

1,26578,203
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 7.882
atom chem shift.val err: 0.001

1,26578,204
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 204
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: THR
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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: 102.092
atom chem shift.val err: 0.001

1,26578,205
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 205
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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: 7.087
atom chem shift.val err: 0.001

1,26578,206
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 206
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
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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: 6.364
atom chem shift.val err: 0.001

1,26578,207
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: ASN
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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: 7.852
atom chem shift.val err: 0.001

1,26578,208
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
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
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
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: 118.492
atom chem shift.val err: 0.001

1,26578,209
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 209
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: ND2
atom chem shift.auth comp id: ASN
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: 114.131
atom chem shift.val err: 0.001

1,26578,210
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 210
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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: 7.372
atom chem shift.val err: 0.001

1,26578,211
type: atom chem shift
of datablock: info:bmrb/26578
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 26578
atom chem shift.id: 211
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
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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: 125.094
atom chem shift.val err: 0.001

26578,HEC
type: chem comp
of datablock: info:bmrb/26578
reference to entry: entry
chem comp.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: FE
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CHA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CHB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CHC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CHD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: NA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C1A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C2A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C3A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C4A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CMA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CAA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CBA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CGA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: O1A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: O2A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: NB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C1B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C2B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C3B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C4B
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CMB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CAB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CBB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: NC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C1C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C2C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C3C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C4C
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CMC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CAC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CBC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: ND
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C1D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C2D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C3D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: C4D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CMD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CAD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CBD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: CGD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: O1D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: O2D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HHA
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HHB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HHC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HHD
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMA1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMA2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMA3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HAA1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HAA2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBA1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBA2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: H2A
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMB1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMB2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMB3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HAB
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBB1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBB2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBB3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMC1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMC2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMC3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HAC
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBC1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBC2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBC3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMD1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMD2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HMD3
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HAD1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HAD2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBD1
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: HBD2
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578
type: chem comp atom
of datablock: info:bmrb/26578
reference to entry: entry
chem comp atom.atom id: H2D
chem comp atom.comp id: HEC
chem comp atom.entry id: 26578
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,26578,1
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,2
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,3
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,4
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,5
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,6
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,7
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,8
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,9
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,10
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,11
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,12
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,13
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,14
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,15
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,16
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,17
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,18
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,19
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,20
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,21
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,22
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,23
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,24
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,25
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,26
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,27
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,28
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,29
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,30
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,31
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,32
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,33
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,34
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,35
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,36
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,37
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,38
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,39
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,40
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,41
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,42
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,43
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,44
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,45
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,46
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,47
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,48
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,49
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,50
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,51
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,52
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,53
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,54
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,55
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,56
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,57
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,58
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,59
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,60
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,61
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,62
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,63
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,64
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,65
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,66
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,67
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,68
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,69
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,70
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,71
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,72
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,73
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,74
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,75
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,76
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,77
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,78
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,79
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,80
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,81
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,82
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,83
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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,26578,84
type: chem comp bond
of datablock: info:bmrb/26578
chem comp bond.comp id: HEC
chem comp bond.entry id: 26578
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/bmr26578/chem_comp_descriptor/HEC,CC%3DC1C(%3DC2C%3DC3C(%3DCC)C(%3DC4N3%5BFe%5D56N2C1%3DCc7n5c(c(c7C)CCC(%3DO)O)C%3DC8,26578,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/26578
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: 26578
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr26578/chem_comp_descriptor/HEC,CC%3DC1C(%3DC2C%3DC3C(%3DCC)C(%3DC4N3%5BFe%5D56N2C1%3DCc7n5c(c(c7C)CCC(%3DO)O)C%3DC8,26578,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/26578
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: 26578
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr26578/chem_comp_descriptor/HEC,CC%3DC1C(%3DC2C%3DC3N4C(%3DCc5n6c(C%3DC7N8C(%3DC(C)C7%3DCC)C%3DC1N2%5BFe%5D468)c(C)c,26578,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/26578
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: 26578
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr26578/chem_comp_descriptor/HEC,C%5CC%3DC1%2FC(%3DC2C%3DC3N4C(%3DCc5n6c(C%3DC7N8C(%3DC(C)%5CC7%3DC%2FC)C%3DC1N2%5BFe%40%40%5D468,26578,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/26578
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: 26578
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

HEC,HXQIYSLZKNYNMH-LJNAALQVSA-N,26578,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/26578
chem comp descriptor.comp id: HEC
chem comp descriptor.descriptor: HXQIYSLZKNYNMH-LJNAALQVSA-N
chem comp descriptor.entry id: 26578
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

HEC,,26578,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/26578
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: 26578
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr26578/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,26578,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/26578
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: 26578
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

HEC,26578,{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/26578
chem comp identifier.comp id: HEC
chem comp identifier.entry id: 26578
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

1,26578,1
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 1
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,2
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 2
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,3
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 3
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift 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: 265780301

1,26578,4
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 4
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 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: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,5
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 5
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,6
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 6
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 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: 265780301

1,26578,7
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 7
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 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: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,8
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 8
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,9
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 9
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,10
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 10
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,11
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 11
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 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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,12
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 12
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,13
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 13
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 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,14
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 14
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.625
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.600
chem shift completeness char.sf id: 265780301

1,26578,15
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 15
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,16
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 16
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,17
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 17
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 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: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,18
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 18
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,19
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 19
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.200
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,20
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 20
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 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: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,21
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 21
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.200
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,22
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 22
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,23
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 23
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,24
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 24
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 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: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,25
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 25
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 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: 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 15n 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: 265780301

1,26578,26
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 26
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 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: 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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,27
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 27
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 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,28
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 28
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 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: 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: 265780301

1,26578,29
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 29
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.222
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,30
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 30
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,31
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 31
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.222
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,32
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 32
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,33
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 33
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 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: 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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,34
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 34
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 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: 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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,35
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 35
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.625
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.600
chem shift completeness char.sf id: 265780301

1,26578,36
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 36
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,37
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 37
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 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: 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 15n 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: 265780301

1,26578,38
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 38
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 265780301

1,26578,39
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 39
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 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: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,40
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 40
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,41
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 41
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,42
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 42
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: 0.286
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.333
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.125
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 265780301

1,26578,43
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 43
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 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: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,44
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 44
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,45
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 45
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,46
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 46
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift 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: 265780301

1,26578,47
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 47
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,48
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 48
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,49
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 49
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,50
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 50
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.222
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,51
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 51
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,52
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 52
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,53
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 53
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.625
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.600
chem shift completeness char.sf id: 265780301

1,26578,54
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 54
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 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,55
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 55
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,56
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 56
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,57
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 57
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.222
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,58
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 58
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,59
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 59
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 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.143
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,60
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 60
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 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: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,61
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 61
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,62
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 62
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,63
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 63
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,64
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 64
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,65
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 65
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.200
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,66
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 66
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.333
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,67
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 67
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 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: 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: 265780301

1,26578,68
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 68
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,69
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 69
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,70
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 70
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,71
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 71
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,72
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 72
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 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: 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: 265780301

1,26578,73
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 73
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 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: 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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,74
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 74
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.333
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,75
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 75
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,76
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 76
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,77
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 77
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 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: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 265780301

1,26578,78
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 78
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,79
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 79
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,80
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 80
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,81
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 81
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.200
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,82
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 82
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,83
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 83
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,84
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 84
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,85
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 85
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,86
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 86
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,87
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 87
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.375
chem shift completeness char.chem shift coverage: 0.500
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 265780301

1,26578,88
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 88
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,89
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 89
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,90
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 90
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.286
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,91
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 91
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.200
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,92
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 92
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 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: 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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,93
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 93
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.400
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,94
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 94
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,95
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 95
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,96
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 96
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 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: 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 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,97
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 97
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 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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.222
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,98
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 98
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 265780301

1,26578,99
type: chem shift completeness char
of datablock: info:bmrb/26578
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 26578
chem shift completeness char.id: 99
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 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.182
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1,26578,100
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1,26578,101
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1,26578,102
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1,26578,103
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1,26578,104
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1,26578
type: chem shift completeness list
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chem shift completeness list.arom chem shift 15n fraction: 1/1
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chem shift completeness list.assigned residue coverage: 0.913
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chem shift completeness list.bb chem shift fraction: 194/317
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chem shift completeness list.chem shift fraction: 236/770
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr26578_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(D)
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chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 15n fraction: 8/8
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1,26578,1
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1,26578,2
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1,26578,3
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1,H,1,26578,DSS
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chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
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chem shift ref.indirect shift ratio: 1.000000
chem shift ref.indirect shift ratio cit id: 0
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15,N,1,26578,DSS
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chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
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chem shift ref.indirect shift ratio: 0.1013291
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: na
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1,26578,1
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1,26578,3
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chem shift software.software id: 3
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chem shift software.software label: NMRPipe

26578,1
type: citation
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reference to entry: entry
citation.entry id: 26578
citation.id: 1
citation.class: entry citation
citation.doi: 10.1073/pnas.1508040112
citation.journal abbrev: Proc. Natl. Acad. Sci. U. S. A.
citation.journal issn: 0027-8424
citation.journal issue: 32
citation.journal name full: Proceedings of the National Academy of Sciences of the United States of America
citation.journal volume: 112
citation.page first: 9908
citation.page last: 9913
citation.pubmed id: 26216969
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Structural basis for inhibition of the histone chaperone activity of SET/TAF-Iβ by cytochrome c.
citation.type: journal
citation.year: 2015

info:doi/10.1073/pnas.1508040112

doi:10.1073/pnas.1508040112

urn:ISSN:0027-8424

issn:0027-8424

info:pmid/26216969

pubmed:26216969

1,26578,1
type: citation author
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citation author.citation id: 1
citation author.entry id: 26578
citation author.ordinal: 1
citation author.family name: Gonzalez-Arzola
citation author.first initial: K.
citation author.given name: Katiuska
citation author.pdbx name: Gonzalez-Arzola, K.

1,26578,2
type: citation author
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citation author.citation id: 1
citation author.entry id: 26578
citation author.ordinal: 2
citation author.family name: Diaz-Moreno
citation author.first initial: I.
citation author.given name: Irene
citation author.pdbx name: Diaz-Moreno, I.

1,26578,3
type: citation author
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citation author.citation id: 1
citation author.entry id: 26578
citation author.ordinal: 3
citation author.family name: Cano-Gonzalez
citation author.first initial: A.
citation author.given name: Ana
citation author.pdbx name: Cano-Gonzalez, A.

1,26578,4
type: citation author
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citation author.citation id: 1
citation author.entry id: 26578
citation author.ordinal: 4
citation author.family name: Diaz-Quintana
citation author.first initial: A.
citation author.given name: Antonio
citation author.pdbx name: Diaz-Quintana, A.

1,26578,5
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citation author.ordinal: 5
citation author.family name: Velazquez-Campoy
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citation author.given name: Adrian
citation author.pdbx name: Velazquez-Campoy, A.

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citation author.ordinal: 6
citation author.family name: Moreno-Beltran
citation author.first initial: B.
citation author.given name: Blas
citation author.pdbx name: Moreno-Beltran, B.

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citation author.given name: Abelardo
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1,26578,8
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citation author.ordinal: 8
citation author.family name: De la Rosa
citation author.first initial: M.
citation author.given name: Miguel
citation author.middle initials: A.
citation author.pdbx name: De la Rosa, M.A.

26578,assigned chemical shifts
type: data set
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data set.entry id: 26578
data set.type: assigned_chemical_shifts
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26578,15N chemical shifts
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datum.type: 15N chemical shifts
datum.count: 102

26578,1H chemical shifts
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datum.type: 1H chemical shifts
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26578,1
type: entity
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reference to entry: entry
entity.entry id: 26578
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 11617.39
entity.name: cytochrome c peptide
entity.nstd chirality: no
entity.nstd linkage: no
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: entity
entity.thiol state: all other bound
entity.type: polymer

26578,2
type: entity
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reference to entry: entry
entity.entry id: 26578
entity.id: 2
entity.bmrb code: HEC
entity.formula weight: 618.503
entity.name: HEME C
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

1,26578,1
type: entity assembly
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entity assembly.id: 1
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: entity
entity assembly.entity id: 1
entity assembly.entity label: entity
entity assembly.experimental data reported: yes
entity assembly.physical state: native

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entity assembly.entity assembly name: HEME C
entity assembly.entity id: 2
entity assembly.entity label: entity_HEC
entity assembly.experimental data reported: no
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2,26578,HEME C,BMRB
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BT007646.1,GB,1,26578
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info:ddbj-embl-genbank/BT007646.1

ncbiprotein:BT007646.1

M22877.1,GB,1,26578
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info:ddbj-embl-genbank/M22877.1

ncbiprotein:M22877.1

P99999,SP,1,26578
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info:uniprot/P99999

uniprot:P99999

1,26578,1
type: entity experimental src
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entity experimental src.host org ncbi taxonomy id: 562
entity experimental src.host org scientific name: Escherichia coli
entity experimental src.host org species: coli
entity experimental src.production method: recombinant technology
entity experimental src.vector name: pBTR1

info:taxonomy/562

taxonomy:562

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entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 9606
entity natural src.organism name common: Human
entity natural src.organism name scientific: Homo sapiens
entity natural src.species: sapiens
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/9606

taxonomy:9606

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2,26578,BMRB
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2,26578,Three letter code
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http://bmrbpub.pdbj.org/rdf/bmr26578/entry/26578
type: entry
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entry.id: 26578
entry.accession date: 2015-05-17Z
entry.assigned pdb deposition code: <!DOCTYPE html PUBLIC -//W3C//DTD XHTML 1.0 Strict//EN
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2015-05-17Z
entry.nmr star version: 3.2.14.0
entry.original nmr star version: 3.1
entry.original release date: 2015-05-17Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2015-05-17Z
entry.title: NMR Assignment of Homo sapiens cytochrome c in its oxidized state
entry.type: macromolecule
entry.version type: original

26578,1
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entry author.entry id: 26578
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entry author.given name: Blas
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26578,2
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26578,3
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26578,4
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26578,1
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26578,1,1
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26578,1,2
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26578,1,3
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26578,1
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26578,1
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26578,1,spectrometer 1,1
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26578,2
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release.release number: 2
release.author: BMRB
release.date: 2022-03-31Z
release.detail: update Polymer_type
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26578,1
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release.release number: 1
release.author: author
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26578,1
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sample.details: Buffer: 5 mM phosphate buffer pH 6.3
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26578,1,1
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26578,2,1
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sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: H2O

26578,3,1
type: sample component
of datablock: info:bmrb/26578
sample component.entry id: 26578
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: %
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: D2O

26578,4,1
type: sample component
of datablock: info:bmrb/26578
sample component.entry id: 26578
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 5
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: phosphate buffer

26578,1
type: sample condition list
of datablock: info:bmrb/26578
reference to entry: entry
sample condition list.entry id: 26578
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

26578,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/26578
sample condition variable.entry id: 26578
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 0.005
sample condition variable.val units: M

26578,1,pH
type: sample condition variable
of datablock: info:bmrb/26578
sample condition variable.entry id: 26578
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 6.3
sample condition variable.val units: pH

26578,1,pressure
type: sample condition variable
of datablock: info:bmrb/26578
sample condition variable.entry id: 26578
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

26578,1,temperature
type: sample condition variable
of datablock: info:bmrb/26578
sample condition variable.entry id: 26578
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

26578,1
type: software
of datablock: info:bmrb/26578
reference to entry: entry
software.entry id: 26578
software.id: 1
software.name: SPARKY
software.sf category: software
software.sf framecode: SPARKY

26578,2
type: software
of datablock: info:bmrb/26578
reference to entry: entry
software.entry id: 26578
software.id: 2
software.name: TOPSPIN
software.sf category: software
software.sf framecode: TOPSPIN

26578,3
type: software
of datablock: info:bmrb/26578
reference to entry: entry
software.entry id: 26578
software.id: 3
software.name: NMRPipe
software.sf category: software
software.sf framecode: NMRPipe

26578,1,chemical shift assignment
type: task
of datablock: info:bmrb/26578
task.entry id: 26578
task.software id: 1
task.task: chemical shift assignment

26578,2,collection
type: task
of datablock: info:bmrb/26578
task.entry id: 26578
task.software id: 2
task.task: collection

26578,1,data analysis
type: task
of datablock: info:bmrb/26578
task.entry id: 26578
task.software id: 1
task.task: data analysis

26578,1,peak picking
type: task
of datablock: info:bmrb/26578
task.entry id: 26578
task.software id: 1
task.task: peak picking

26578,2,processing
type: task
of datablock: info:bmrb/26578
task.entry id: 26578
task.software id: 2
task.task: processing

26578,3,processing
type: task
of datablock: info:bmrb/26578
task.entry id: 26578
task.software id: 3
task.task: processing

26578,Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax,3
type: vendor
of datablock: info:bmrb/26578
vendor.entry id: 26578
vendor.name: Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
vendor.software id: 3

26578,Goddard,1
type: vendor
of datablock: info:bmrb/26578
vendor.entry id: 26578
vendor.name: Goddard
vendor.software id: 1

26578,Bruker BioSpin,2
type: vendor
of datablock: info:bmrb/26578
vendor.entry id: 26578
vendor.name: Bruker BioSpin
vendor.software id: 2