info:bmrb/50001
type: datablock
references: doi:10.13018/BMR50001
alternative label: bmr50001
title: Solution structure of protein ARR_CleD in complex with c-di-GMP
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assembly.details: The second messenger c-di-GMP is bound as a intercalated dimer to ARR_CleD.
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atom chem shift.occupancy: 6
atom chem shift.seq id: 5
atom chem shift.val: 2.003
atom chem shift.val err: 0.004

1,50001,31
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 31
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 5
atom chem shift.val: 2.083
atom chem shift.val err: 0.004

1,50001,32
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 32
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 5
atom chem shift.val: 2.283
atom chem shift.val err: 0.002

1,50001,33
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 33
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 5
atom chem shift.val: 2.301
atom chem shift.val err: 0.005

1,50001,34
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 34
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 5
atom chem shift.val: 175.518
atom chem shift.val err: 0.000

1,50001,35
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 35
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 5
atom chem shift.val: 56.856
atom chem shift.val err: 0.022

1,50001,36
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 36
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 5
atom chem shift.val: 30.195
atom chem shift.val err: 0.005

1,50001,37
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 37
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 5
atom chem shift.val: 36.378
atom chem shift.val err: 0.000

1,50001,38
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 38
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: 143
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 5
atom chem shift.val: 119.700
atom chem shift.val err: 0.049

1,50001,39
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 39
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
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 40
atom chem shift.seq id: 6
atom chem shift.val: 8.365
atom chem shift.val err: 0.007

1,50001,40
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 40
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 6
atom chem shift.val: 4.553
atom chem shift.val err: 0.004

1,50001,41
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 6
atom chem shift.val: 3.105
atom chem shift.val err: 0.000

1,50001,42
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 42
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 6
atom chem shift.val: 3.105
atom chem shift.val err: 0.008

1,50001,43
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 43
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 6
atom chem shift.val: 7.019
atom chem shift.val err: 0.003

1,50001,44
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 44
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
atom chem shift.auth atom id: HE1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 6
atom chem shift.val: 10.090
atom chem shift.val err: 0.005

1,50001,45
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 45
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE3
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 19
atom chem shift.seq id: 6
atom chem shift.val: 7.482
atom chem shift.val err: 0.002

1,50001,46
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 46
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HZ2
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 6
atom chem shift.val: 7.340
atom chem shift.val err: 0.006

1,50001,47
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 47
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HZ3
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 6
atom chem shift.val: 7.050
atom chem shift.val err: 0.001

1,50001,48
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 48
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HH2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HH2
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 6
atom chem shift.val: 7.167
atom chem shift.val err: 0.004

1,50001,49
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 49
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 6
atom chem shift.val: 175.291
atom chem shift.val err: 0.000

1,50001,50
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 50
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 6
atom chem shift.val: 57.317
atom chem shift.val err: 0.044

1,50001,51
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 51
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 6
atom chem shift.val: 30.524
atom chem shift.val err: 0.065

1,50001,52
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 52
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: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 20
atom chem shift.seq id: 6
atom chem shift.val: 121.416
atom chem shift.val err: 0.023

1,50001,53
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 53
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: 144
atom chem shift.comp id: TRP
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 6
atom chem shift.val: 129.684
atom chem shift.val err: 0.006

1,50001,54
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 7
atom chem shift.val: 8.257
atom chem shift.val err: 0.009

1,50001,55
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 55
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 7
atom chem shift.val: 3.899
atom chem shift.val err: 0.008

1,50001,56
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 16
atom chem shift.seq id: 7
atom chem shift.val: 1.687
atom chem shift.val err: 0.005

1,50001,57
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 57
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 43
atom chem shift.seq id: 7
atom chem shift.val: 0.536
atom chem shift.val err: 0.003

1,50001,58
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 58
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 43
atom chem shift.seq id: 7
atom chem shift.val: 0.536
atom chem shift.val err: 0.003

1,50001,59
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 59
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 43
atom chem shift.seq id: 7
atom chem shift.val: 0.536
atom chem shift.val err: 0.003

1,50001,60
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 60
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 34
atom chem shift.seq id: 7
atom chem shift.val: 0.361
atom chem shift.val err: 0.003

1,50001,61
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 61
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 34
atom chem shift.seq id: 7
atom chem shift.val: 0.361
atom chem shift.val err: 0.003

1,50001,62
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 62
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 34
atom chem shift.seq id: 7
atom chem shift.val: 0.361
atom chem shift.val err: 0.003

1,50001,63
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 63
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 7
atom chem shift.val: 173.843
atom chem shift.val err: 0.000

1,50001,64
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 64
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 7
atom chem shift.val: 61.570
atom chem shift.val err: 0.014

1,50001,65
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 65
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 7
atom chem shift.val: 33.309
atom chem shift.val err: 0.012

1,50001,66
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 66
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 7
atom chem shift.val: 20.209
atom chem shift.val err: 0.000

1,50001,67
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 67
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 7
atom chem shift.val: 20.209
atom chem shift.val err: 0.000

1,50001,68
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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: VAL
atom chem shift.auth seq id: 145
atom chem shift.comp id: VAL
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 7
atom chem shift.val: 124.617
atom chem shift.val err: 0.058

1,50001,69
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 43
atom chem shift.seq id: 8
atom chem shift.val: 8.239
atom chem shift.val err: 0.007

1,50001,70
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 8
atom chem shift.val: 4.379
atom chem shift.val err: 0.009

1,50001,71
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 71
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 8
atom chem shift.val: 1.870
atom chem shift.val err: 0.006

1,50001,72
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 72
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 8
atom chem shift.val: 1.983
atom chem shift.val err: 0.007

1,50001,73
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 73
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 8
atom chem shift.val: 2.195
atom chem shift.val err: 0.003

1,50001,74
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 74
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 8
atom chem shift.val: 2.217
atom chem shift.val err: 0.004

1,50001,75
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 75
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 8
atom chem shift.val: 174.469
atom chem shift.val err: 0.000

1,50001,76
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 76
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 8
atom chem shift.val: 55.709
atom chem shift.val err: 0.007

1,50001,77
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 77
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 8
atom chem shift.val: 30.651
atom chem shift.val err: 0.011

1,50001,78
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 78
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 8
atom chem shift.val: 36.350
atom chem shift.val err: 0.000

1,50001,79
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 79
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: 146
atom chem shift.comp id: GLU
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 22
atom chem shift.seq id: 8
atom chem shift.val: 122.496
atom chem shift.val err: 0.024

1,50001,80
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 80
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: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 42
atom chem shift.seq id: 9
atom chem shift.val: 8.388
atom chem shift.val err: 0.008

1,50001,81
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 81
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 9
atom chem shift.val: 4.635
atom chem shift.val err: 0.011

1,50001,82
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 82
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 9
atom chem shift.val: 1.444
atom chem shift.val err: 0.004

1,50001,83
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 83
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 9
atom chem shift.val: 1.444
atom chem shift.val err: 0.004

1,50001,84
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 84
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 9
atom chem shift.val: 1.444
atom chem shift.val err: 0.004

1,50001,85
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 85
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 9
atom chem shift.val: 177.416
atom chem shift.val err: 0.000

1,50001,86
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 86
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 9
atom chem shift.val: 50.967
atom chem shift.val err: 0.010

1,50001,87
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 87
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 9
atom chem shift.val: 20.621
atom chem shift.val err: 0.013

1,50001,88
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 88
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: 147
atom chem shift.comp id: ALA
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 9
atom chem shift.val: 125.711
atom chem shift.val err: 0.024

1,50001,89
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 89
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: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 31
atom chem shift.seq id: 10
atom chem shift.val: 8.279
atom chem shift.val err: 0.008

1,50001,90
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 90
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 10
atom chem shift.val: 3.788
atom chem shift.val err: 0.008

1,50001,91
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 91
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 10
atom chem shift.val: 2.099
atom chem shift.val err: 0.008

1,50001,92
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 92
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 10
atom chem shift.val: 1.006
atom chem shift.val err: 0.004

1,50001,93
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 93
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 10
atom chem shift.val: 1.006
atom chem shift.val err: 0.004

1,50001,94
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 94
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 10
atom chem shift.val: 1.006
atom chem shift.val err: 0.004

1,50001,95
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 95
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 10
atom chem shift.val: 0.950
atom chem shift.val err: 0.004

1,50001,96
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 96
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 10
atom chem shift.val: 0.950
atom chem shift.val err: 0.004

1,50001,97
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 97
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 10
atom chem shift.val: 0.950
atom chem shift.val err: 0.004

1,50001,98
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 98
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 10
atom chem shift.val: 177.001
atom chem shift.val err: 0.000

1,50001,99
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 99
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 10
atom chem shift.val: 64.898
atom chem shift.val err: 0.023

1,50001,100
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 100
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 10
atom chem shift.val: 31.896
atom chem shift.val err: 0.016

1,50001,101
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 101
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 10
atom chem shift.val: 21.140
atom chem shift.val err: 0.000

1,50001,102
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 102
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 10
atom chem shift.val: 21.140
atom chem shift.val err: 0.000

1,50001,103
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 103
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 148
atom chem shift.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 19
atom chem shift.seq id: 10
atom chem shift.val: 120.171
atom chem shift.val err: 0.044

1,50001,104
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 104
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 31
atom chem shift.seq id: 11
atom chem shift.val: 8.445
atom chem shift.val err: 0.007

1,50001,105
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 105
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 11
atom chem shift.val: 4.395
atom chem shift.val err: 0.010

1,50001,106
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 106
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 11
atom chem shift.val: 1.444
atom chem shift.val err: 0.006

1,50001,107
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 107
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 11
atom chem shift.val: 1.444
atom chem shift.val err: 0.006

1,50001,108
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 108
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 11
atom chem shift.val: 1.444
atom chem shift.val err: 0.006

1,50001,109
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 109
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 11
atom chem shift.val: 176.993
atom chem shift.val err: 0.000

1,50001,110
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 110
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 11
atom chem shift.val: 52.084
atom chem shift.val err: 0.029

1,50001,111
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 111
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 11
atom chem shift.val: 19.927
atom chem shift.val err: 0.009

1,50001,112
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 112
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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: 149
atom chem shift.comp id: ALA
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 11
atom chem shift.val: 122.615
atom chem shift.val err: 0.025

1,50001,113
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 113
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: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 26
atom chem shift.seq id: 12
atom chem shift.val: 7.360
atom chem shift.val err: 0.009

1,50001,114
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 114
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 12
atom chem shift.val: 4.318
atom chem shift.val err: 0.013

1,50001,115
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 115
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 19
atom chem shift.seq id: 12
atom chem shift.val: 2.994
atom chem shift.val err: 0.006

1,50001,116
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 116
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 12
atom chem shift.val: 2.994
atom chem shift.val err: 0.466

1,50001,117
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 117
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD1
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 12
atom chem shift.val: 6.434
atom chem shift.val err: 0.004

1,50001,118
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 118
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 12
atom chem shift.val: 6.434
atom chem shift.val err: 0.004

1,50001,119
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 119
atom chem shift.ambiguity code: 3
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
atom chem shift.auth atom id: HE1
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 12
atom chem shift.val: 6.186
atom chem shift.val err: 0.003

1,50001,120
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 120
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE2
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 12
atom chem shift.val: 6.186
atom chem shift.val err: 0.003

1,50001,121
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 121
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 12
atom chem shift.val: 172.200
atom chem shift.val err: 0.000

1,50001,122
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 122
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 12
atom chem shift.val: 59.243
atom chem shift.val err: 0.006

1,50001,123
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 123
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 12
atom chem shift.val: 40.779
atom chem shift.val err: 0.018

1,50001,124
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 124
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: 150
atom chem shift.comp id: TYR
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 19
atom chem shift.seq id: 12
atom chem shift.val: 119.588
atom chem shift.val err: 0.031

1,50001,125
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 125
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 26
atom chem shift.seq id: 13
atom chem shift.val: 7.206
atom chem shift.val err: 0.009

1,50001,126
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 126
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 13
atom chem shift.val: 4.201
atom chem shift.val err: 0.004

1,50001,127
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 127
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 13
atom chem shift.val: 1.741
atom chem shift.val err: 0.003

1,50001,128
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 128
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 13
atom chem shift.val: 0.830
atom chem shift.val err: 0.003

1,50001,129
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 129
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 13
atom chem shift.val: 0.830
atom chem shift.val err: 0.003

1,50001,130
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 130
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 13
atom chem shift.val: 0.830
atom chem shift.val err: 0.003

1,50001,131
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 131
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 13
atom chem shift.val: 0.796
atom chem shift.val err: 0.005

1,50001,132
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 132
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 13
atom chem shift.val: 0.796
atom chem shift.val err: 0.005

1,50001,133
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 133
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 13
atom chem shift.val: 0.796
atom chem shift.val err: 0.005

1,50001,134
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 134
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 13
atom chem shift.val: 59.677
atom chem shift.val err: 0.075

1,50001,135
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 135
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 13
atom chem shift.val: 33.650
atom chem shift.val err: 0.052

1,50001,136
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 136
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 13
atom chem shift.val: 20.810
atom chem shift.val err: 0.000

1,50001,137
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 137
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 13
atom chem shift.val: 20.810
atom chem shift.val err: 0.000

1,50001,138
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 138
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: 151
atom chem shift.comp id: VAL
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 13
atom chem shift.val: 125.997
atom chem shift.val err: 0.020

1,50001,139
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 139
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: 152
atom chem shift.comp id: GLY
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 14
atom chem shift.val: 7.123
atom chem shift.val err: 0.003

1,50001,140
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 140
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA3
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 152
atom chem shift.comp id: GLY
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 14
atom chem shift.val: 3.447
atom chem shift.val err: 0.005

1,50001,141
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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: GLY
atom chem shift.auth seq id: 152
atom chem shift.comp id: GLY
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 14
atom chem shift.val: 113.227
atom chem shift.val err: 0.035

1,50001,142
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 142
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 15
atom chem shift.val: 4.299
atom chem shift.val err: 0.009

1,50001,143
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 143
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 15
atom chem shift.val: 1.737
atom chem shift.val err: 0.006

1,50001,144
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 144
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 10
atom chem shift.seq id: 15
atom chem shift.val: 2.245
atom chem shift.val err: 0.006

1,50001,145
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 145
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 15
atom chem shift.val: 1.942
atom chem shift.val err: 0.003

1,50001,146
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 146
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 15
atom chem shift.val: 1.984
atom chem shift.val err: 0.007

1,50001,147
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 147
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 10
atom chem shift.seq id: 15
atom chem shift.val: 3.214
atom chem shift.val err: 0.001

1,50001,148
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 148
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 16
atom chem shift.seq id: 15
atom chem shift.val: 3.310
atom chem shift.val err: 0.001

1,50001,149
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 149
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 15
atom chem shift.val: 177.658
atom chem shift.val err: 0.000

1,50001,150
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 150
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 15
atom chem shift.val: 62.189
atom chem shift.val err: 0.014

1,50001,151
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 151
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 15
atom chem shift.val: 32.179
atom chem shift.val err: 0.011

1,50001,152
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 152
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 15
atom chem shift.val: 27.204
atom chem shift.val err: 0.000

1,50001,153
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 153
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 153
atom chem shift.comp id: PRO
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 15
atom chem shift.val: 49.250
atom chem shift.val err: 0.000

1,50001,154
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 154
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 40
atom chem shift.seq id: 16
atom chem shift.val: 8.626
atom chem shift.val err: 0.008

1,50001,155
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 155
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 16
atom chem shift.val: 4.057
atom chem shift.val err: 0.009

1,50001,156
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 156
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 16
atom chem shift.val: 2.740
atom chem shift.val err: 0.008

1,50001,157
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 157
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 16
atom chem shift.val: 2.880
atom chem shift.val err: 0.006

1,50001,158
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 158
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 16
atom chem shift.val: 177.149
atom chem shift.val err: 0.000

1,50001,159
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 159
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 16
atom chem shift.val: 55.955
atom chem shift.val err: 0.015

1,50001,160
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 160
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 16
atom chem shift.val: 40.784
atom chem shift.val err: 0.008

1,50001,161
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 161
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: 154
atom chem shift.comp id: ASP
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 19
atom chem shift.seq id: 16
atom chem shift.val: 121.935
atom chem shift.val err: 0.021

1,50001,162
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 162
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: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 49
atom chem shift.seq id: 17
atom chem shift.val: 8.762
atom chem shift.val err: 0.010

1,50001,163
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 163
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 17
atom chem shift.val: 4.006
atom chem shift.val err: 0.009

1,50001,164
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 164
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 17
atom chem shift.val: 1.280
atom chem shift.val err: 0.005

1,50001,165
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 165
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 17
atom chem shift.val: 2.008
atom chem shift.val err: 0.005

1,50001,166
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 166
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 17
atom chem shift.val: 1.526
atom chem shift.val err: 0.005

1,50001,167
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 167
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 17
atom chem shift.val: 1.526
atom chem shift.val err: 0.005

1,50001,168
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 168
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 17
atom chem shift.val: 2.589
atom chem shift.val err: 0.001

1,50001,169
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 169
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 17
atom chem shift.val: 2.654
atom chem shift.val err: 0.004

1,50001,170
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 170
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 34
atom chem shift.seq id: 17
atom chem shift.val: 5.648
atom chem shift.val err: 0.007

1,50001,171
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 171
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HH21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HH21
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 32
atom chem shift.seq id: 17
atom chem shift.val: 6.376
atom chem shift.val err: 0.005

1,50001,172
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 172
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 17
atom chem shift.val: 176.611
atom chem shift.val err: 0.000

1,50001,173
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 173
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 17
atom chem shift.val: 57.048
atom chem shift.val err: 0.011

1,50001,174
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 174
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 17
atom chem shift.val: 31.446
atom chem shift.val err: 0.016

1,50001,175
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 175
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 17
atom chem shift.val: 26.505
atom chem shift.val err: 0.000

1,50001,176
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 176
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 17
atom chem shift.val: 44.397
atom chem shift.val err: 0.000

1,50001,177
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 177
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 20
atom chem shift.seq id: 17
atom chem shift.val: 130.107
atom chem shift.val err: 0.034

1,50001,178
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 178
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 17
atom chem shift.val: 79.463
atom chem shift.val err: 0.011

1,50001,179
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 179
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NH2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NH2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 155
atom chem shift.comp id: ARG
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 17
atom chem shift.val: 72.039
atom chem shift.val err: 0.014

1,50001,180
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 180
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: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 55
atom chem shift.seq id: 18
atom chem shift.val: 8.279
atom chem shift.val err: 0.008

1,50001,181
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 181
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 18
atom chem shift.val: 4.393
atom chem shift.val err: 0.009

1,50001,182
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 182
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 18
atom chem shift.val: 1.702
atom chem shift.val err: 0.004

1,50001,183
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 183
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 18
atom chem shift.val: 2.082
atom chem shift.val err: 0.007

1,50001,184
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 184
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 18
atom chem shift.val: 1.550
atom chem shift.val err: 0.005

1,50001,185
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 185
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 18
atom chem shift.val: 1.897
atom chem shift.val err: 0.004

1,50001,186
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 186
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 24
atom chem shift.seq id: 18
atom chem shift.val: 2.938
atom chem shift.val err: 0.009

1,50001,187
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 187
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 18
atom chem shift.val: 3.043
atom chem shift.val err: 0.005

1,50001,188
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 188
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 56
atom chem shift.seq id: 18
atom chem shift.val: 8.816
atom chem shift.val err: 0.006

1,50001,189
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 189
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 35
atom chem shift.seq id: 18
atom chem shift.val: 6.506
atom chem shift.val err: 0.006

1,50001,190
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 190
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 31
atom chem shift.seq id: 18
atom chem shift.val: 7.702
atom chem shift.val err: 0.003

1,50001,191
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 191
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HH22
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atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 39
atom chem shift.seq id: 18
atom chem shift.val: 8.037
atom chem shift.val err: 0.003

1,50001,192
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 192
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 18
atom chem shift.val: 176.616
atom chem shift.val err: 0.000

1,50001,193
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 193
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 18
atom chem shift.val: 57.155
atom chem shift.val err: 0.020

1,50001,194
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 194
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 18
atom chem shift.val: 29.693
atom chem shift.val err: 0.015

1,50001,195
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 195
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 18
atom chem shift.val: 28.115
atom chem shift.val err: 0.000

1,50001,196
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 196
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
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atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 18
atom chem shift.val: 44.323
atom chem shift.val err: 0.000

1,50001,197
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 197
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: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 24
atom chem shift.seq id: 18
atom chem shift.val: 118.154
atom chem shift.val err: 0.019

1,50001,198
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 198
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 22
atom chem shift.seq id: 18
atom chem shift.val: 85.962
atom chem shift.val err: 0.015

1,50001,199
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 199
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NH1
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NH1
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 16
atom chem shift.seq id: 18
atom chem shift.val: 69.769
atom chem shift.val err: 0.012

1,50001,200
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 200
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NH2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NH2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 156
atom chem shift.comp id: ARG
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 26
atom chem shift.seq id: 18
atom chem shift.val: 74.457
atom chem shift.val err: 0.019

1,50001,201
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 201
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: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 52
atom chem shift.seq id: 19
atom chem shift.val: 9.817
atom chem shift.val err: 0.010

1,50001,202
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 202
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 19
atom chem shift.val: 4.416
atom chem shift.val err: 0.013

1,50001,203
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 203
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
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atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 19
atom chem shift.val: 1.646
atom chem shift.val err: 0.005

1,50001,204
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 204
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 19
atom chem shift.val: 1.737
atom chem shift.val err: 0.005

1,50001,205
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 205
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 19
atom chem shift.val: 1.508
atom chem shift.val err: 0.006

1,50001,206
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 206
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 19
atom chem shift.val: 1.508
atom chem shift.val err: 0.006

1,50001,207
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 207
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 19
atom chem shift.val: 3.143
atom chem shift.val err: 0.009

1,50001,208
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 208
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 19
atom chem shift.val: 3.143
atom chem shift.val err: 0.009

1,50001,209
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 209
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 19
atom chem shift.val: 176.113
atom chem shift.val err: 0.000

1,50001,210
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 210
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 19
atom chem shift.val: 55.797
atom chem shift.val err: 0.012

1,50001,211
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 211
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 19
atom chem shift.val: 32.682
atom chem shift.val err: 0.009

1,50001,212
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 212
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 19
atom chem shift.val: 26.422
atom chem shift.val err: 0.000

1,50001,213
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 213
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 19
atom chem shift.val: 43.137
atom chem shift.val err: 0.000

1,50001,214
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 214
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: 157
atom chem shift.comp id: ARG
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 24
atom chem shift.seq id: 19
atom chem shift.val: 125.718
atom chem shift.val err: 0.025

1,50001,215
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 215
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: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 39
atom chem shift.seq id: 20
atom chem shift.val: 8.822
atom chem shift.val err: 0.012

1,50001,216
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 216
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 20
atom chem shift.val: 4.713
atom chem shift.val err: 0.010

1,50001,217
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 217
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 20
atom chem shift.val: 3.093
atom chem shift.val err: 0.008

1,50001,218
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 218
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 20
atom chem shift.val: 3.150
atom chem shift.val err: 0.005

1,50001,219
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 219
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 23
atom chem shift.seq id: 20
atom chem shift.val: 7.287
atom chem shift.val err: 0.004

1,50001,220
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 220
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 23
atom chem shift.seq id: 20
atom chem shift.val: 7.287
atom chem shift.val err: 0.004

1,50001,221
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 221
atom chem shift.ambiguity code: 3
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: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 20
atom chem shift.val: 7.379
atom chem shift.val err: 0.004

1,50001,222
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 222
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
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atom chem shift.auth atom id: HE2
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 20
atom chem shift.val: 7.379
atom chem shift.val err: 0.004

1,50001,223
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 223
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 20
atom chem shift.val: 7.329
atom chem shift.val err: 0.000

1,50001,224
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 224
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 20
atom chem shift.val: 174.598
atom chem shift.val err: 0.000

1,50001,225
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 225
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 20
atom chem shift.val: 57.658
atom chem shift.val err: 0.018

1,50001,226
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 226
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 20
atom chem shift.val: 40.420
atom chem shift.val err: 0.009

1,50001,227
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 227
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: 158
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 24
atom chem shift.seq id: 20
atom chem shift.val: 121.640
atom chem shift.val err: 0.022

1,50001,228
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 228
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: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 27
atom chem shift.seq id: 21
atom chem shift.val: 8.454
atom chem shift.val err: 0.010

1,50001,229
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 229
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 21
atom chem shift.val: 4.763
atom chem shift.val err: 0.007

1,50001,230
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 21
atom chem shift.val: 2.717
atom chem shift.val err: 0.009

1,50001,231
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 231
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 21
atom chem shift.val: 2.717
atom chem shift.val err: 0.009

1,50001,232
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 232
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.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 10
atom chem shift.seq id: 21
atom chem shift.val: 7.603
atom chem shift.val err: 0.008

1,50001,233
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 233
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 21
atom chem shift.val: 6.916
atom chem shift.val err: 0.005

1,50001,234
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 234
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 21
atom chem shift.val: 174.480
atom chem shift.val err: 0.000

1,50001,235
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 235
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 21
atom chem shift.val: 52.853
atom chem shift.val err: 0.008

1,50001,236
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 236
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 21
atom chem shift.val: 39.396
atom chem shift.val err: 0.013

1,50001,237
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 237
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 21
atom chem shift.val: 123.446
atom chem shift.val err: 0.027

1,50001,238
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 238
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: 159
atom chem shift.comp id: ASN
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 10
atom chem shift.seq id: 21
atom chem shift.val: 113.444
atom chem shift.val err: 0.086

1,50001,239
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 239
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: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 26
atom chem shift.seq id: 22
atom chem shift.val: 8.430
atom chem shift.val err: 0.008

1,50001,240
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 240
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 22
atom chem shift.val: 4.478
atom chem shift.val err: 0.008

1,50001,241
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 241
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 16
atom chem shift.seq id: 22
atom chem shift.val: 3.904
atom chem shift.val err: 0.008

1,50001,242
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 242
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 22
atom chem shift.val: 4.009
atom chem shift.val err: 0.008

1,50001,243
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 243
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 22
atom chem shift.val: 175.484
atom chem shift.val err: 0.000

1,50001,244
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 244
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 22
atom chem shift.val: 57.874
atom chem shift.val err: 0.012

1,50001,245
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 245
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 22
atom chem shift.val: 64.253
atom chem shift.val err: 0.010

1,50001,246
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 246
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: 160
atom chem shift.comp id: SER
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 22
atom chem shift.val: 118.415
atom chem shift.val err: 0.029

1,50001,247
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 247
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: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 30
atom chem shift.seq id: 23
atom chem shift.val: 8.678
atom chem shift.val err: 0.009

1,50001,248
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 248
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 23
atom chem shift.val: 4.271
atom chem shift.val err: 0.010

1,50001,249
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 249
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 23
atom chem shift.val: 1.430
atom chem shift.val err: 0.004

1,50001,250
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 250
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 23
atom chem shift.val: 1.430
atom chem shift.val err: 0.004

1,50001,251
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 251
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 23
atom chem shift.val: 1.430
atom chem shift.val err: 0.004

1,50001,252
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 252
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 23
atom chem shift.val: 177.842
atom chem shift.val err: 0.000

1,50001,253
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 253
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 23
atom chem shift.val: 53.866
atom chem shift.val err: 0.006

1,50001,254
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 254
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 23
atom chem shift.val: 18.868
atom chem shift.val err: 0.010

1,50001,255
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 255
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: 161
atom chem shift.comp id: ALA
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 23
atom chem shift.val: 128.706
atom chem shift.val err: 0.027

1,50001,256
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 256
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: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 36
atom chem shift.seq id: 24
atom chem shift.val: 8.223
atom chem shift.val err: 0.008

1,50001,257
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 257
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 24
atom chem shift.val: 4.597
atom chem shift.val err: 0.011

1,50001,258
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 258
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 24
atom chem shift.val: 2.541
atom chem shift.val err: 0.009

1,50001,259
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 259
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 24
atom chem shift.val: 2.696
atom chem shift.val err: 0.009

1,50001,260
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 260
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 24
atom chem shift.val: 175.498
atom chem shift.val err: 0.000

1,50001,261
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 261
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 24
atom chem shift.val: 53.837
atom chem shift.val err: 0.020

1,50001,262
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 262
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 24
atom chem shift.val: 40.916
atom chem shift.val err: 0.045

1,50001,263
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 263
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: 162
atom chem shift.comp id: ASP
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 20
atom chem shift.seq id: 24
atom chem shift.val: 116.677
atom chem shift.val err: 0.018

1,50001,264
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 264
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: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 51
atom chem shift.seq id: 25
atom chem shift.val: 7.539
atom chem shift.val err: 0.008

1,50001,265
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 265
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 25
atom chem shift.val: 4.362
atom chem shift.val err: 0.010

1,50001,266
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 266
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 25
atom chem shift.val: 2.727
atom chem shift.val err: 0.005

1,50001,267
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 267
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 25
atom chem shift.val: 3.211
atom chem shift.val err: 0.008

1,50001,268
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 268
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD1
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 34
atom chem shift.seq id: 25
atom chem shift.val: 6.758
atom chem shift.val err: 0.004

1,50001,269
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 269
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 34
atom chem shift.seq id: 25
atom chem shift.val: 6.758
atom chem shift.val err: 0.004

1,50001,270
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 270
atom chem shift.ambiguity code: 3
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
atom chem shift.auth atom id: HE1
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 35
atom chem shift.seq id: 25
atom chem shift.val: 6.103
atom chem shift.val err: 0.002

1,50001,271
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 271
atom chem shift.ambiguity code: 3
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE2
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 35
atom chem shift.seq id: 25
atom chem shift.val: 6.103
atom chem shift.val err: 0.002

1,50001,272
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 272
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 25
atom chem shift.val: 176.435
atom chem shift.val err: 0.000

1,50001,273
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 273
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 25
atom chem shift.val: 58.902
atom chem shift.val err: 0.010

1,50001,274
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 274
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 25
atom chem shift.val: 38.802
atom chem shift.val err: 0.010

1,50001,275
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 275
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: 163
atom chem shift.comp id: TYR
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 24
atom chem shift.seq id: 25
atom chem shift.val: 121.445
atom chem shift.val err: 0.028

1,50001,276
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 276
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: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 32
atom chem shift.seq id: 26
atom chem shift.val: 8.425
atom chem shift.val err: 0.008

1,50001,277
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 277
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 26
atom chem shift.val: 4.267
atom chem shift.val err: 0.006

1,50001,278
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 278
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 26
atom chem shift.val: 1.397
atom chem shift.val err: 0.005

1,50001,279
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 279
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
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atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 26
atom chem shift.val: 1.267
atom chem shift.val err: 0.005

1,50001,280
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 280
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 26
atom chem shift.val: 1.343
atom chem shift.val err: 0.002

1,50001,281
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 281
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 26
atom chem shift.val: 1.828
atom chem shift.val err: 0.003

1,50001,282
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 282
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
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: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 26
atom chem shift.val: 3.090
atom chem shift.val err: 0.000

1,50001,283
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 283
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 26
atom chem shift.val: 54.923
atom chem shift.val err: 0.000

1,50001,284
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 284
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 26
atom chem shift.val: 32.939
atom chem shift.val err: 0.000

1,50001,285
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 285
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: 164
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 26
atom chem shift.val: 128.359
atom chem shift.val err: 0.024

1,50001,286
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 286
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 165
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 27
atom chem shift.val: 3.254
atom chem shift.val err: 0.001

1,50001,287
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 287
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 165
atom chem shift.comp id: GLY
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 27
atom chem shift.val: 3.918
atom chem shift.val err: 0.004

1,50001,288
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 288
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 20
atom chem shift.seq id: 28
atom chem shift.val: 4.173
atom chem shift.val err: 0.009

1,50001,289
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 289
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 12
atom chem shift.seq id: 28
atom chem shift.val: 1.612
atom chem shift.val err: 0.005

1,50001,290
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 290
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 28
atom chem shift.val: 2.161
atom chem shift.val err: 0.006

1,50001,291
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 291
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 28
atom chem shift.val: 1.881
atom chem shift.val err: 0.003

1,50001,292
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 292
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 28
atom chem shift.val: 1.933
atom chem shift.val err: 0.005

1,50001,293
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 293
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 28
atom chem shift.val: 3.376
atom chem shift.val err: 0.003

1,50001,294
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 294
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 28
atom chem shift.val: 3.416
atom chem shift.val err: 0.002

1,50001,295
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 295
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atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: PRO
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 28
atom chem shift.val: 177.409
atom chem shift.val err: 0.000

1,50001,296
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 28
atom chem shift.val: 62.933
atom chem shift.val err: 0.010

1,50001,297
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 297
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 166
atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 28
atom chem shift.val: 31.748
atom chem shift.val err: 0.019

1,50001,298
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 298
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
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atom chem shift.val: 27.490
atom chem shift.val err: 0.000

1,50001,299
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 299
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atom chem shift.assembly atom id: 0
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
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atom chem shift.occupancy: 1
atom chem shift.seq id: 28
atom chem shift.val: 49.316
atom chem shift.val err: 0.000

1,50001,300
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 300
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 37
atom chem shift.seq id: 29
atom chem shift.val: 8.772
atom chem shift.val err: 0.009

1,50001,301
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 29
atom chem shift.val: 4.216
atom chem shift.val err: 0.008

1,50001,302
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
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atom chem shift.occupancy: 15
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atom chem shift.val: 1.796
atom chem shift.val err: 0.006

1,50001,303
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
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atom chem shift.occupancy: 13
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atom chem shift.val: 1.856
atom chem shift.val err: 0.006

1,50001,304
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
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atom chem shift.occupancy: 9
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atom chem shift.val: 1.471
atom chem shift.val err: 0.003

1,50001,305
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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atom chem shift.comp id: ARG
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atom chem shift.val: 1.471
atom chem shift.val err: 0.003

1,50001,306
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
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atom chem shift.occupancy: 8
atom chem shift.seq id: 29
atom chem shift.val: 3.124
atom chem shift.val err: 0.002

1,50001,307
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 307
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 29
atom chem shift.val: 3.208
atom chem shift.val err: 0.008

1,50001,308
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 308
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 29
atom chem shift.val: 7.370
atom chem shift.val err: 0.006

1,50001,309
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 309
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 29
atom chem shift.val: 176.744
atom chem shift.val err: 0.000

1,50001,310
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 310
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 29
atom chem shift.val: 56.791
atom chem shift.val err: 0.024

1,50001,311
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 311
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 29
atom chem shift.val: 29.334
atom chem shift.val err: 0.020

1,50001,312
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 312
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 29
atom chem shift.val: 28.046
atom chem shift.val err: 0.000

1,50001,313
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 313
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 29
atom chem shift.val: 43.442
atom chem shift.val err: 0.000

1,50001,314
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 314
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 20
atom chem shift.seq id: 29
atom chem shift.val: 127.463
atom chem shift.val err: 0.031

1,50001,315
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 315
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 167
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 29
atom chem shift.val: 85.401
atom chem shift.val err: 0.039

1,50001,316
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 316
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: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 54
atom chem shift.seq id: 30
atom chem shift.val: 9.223
atom chem shift.val err: 0.008

1,50001,317
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 317
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 30
atom chem shift.val: 4.292
atom chem shift.val err: 0.012

1,50001,318
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 318
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 16
atom chem shift.seq id: 30
atom chem shift.val: 1.347
atom chem shift.val err: 0.005

1,50001,319
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 319
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 30
atom chem shift.val: 1.946
atom chem shift.val err: 0.006

1,50001,320
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 320
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 20
atom chem shift.seq id: 30
atom chem shift.val: 1.164
atom chem shift.val err: 0.007

1,50001,321
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 321
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 30
atom chem shift.val: 1.476
atom chem shift.val err: 0.005

1,50001,322
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 322
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 30
atom chem shift.val: 1.700
atom chem shift.val err: 0.005

1,50001,323
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 323
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 30
atom chem shift.val: 2.253
atom chem shift.val err: 0.002

1,50001,324
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 324
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 11
atom chem shift.seq id: 30
atom chem shift.val: 2.555
atom chem shift.val err: 0.003

1,50001,325
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 325
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
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atom chem shift.occupancy: 1
atom chem shift.seq id: 30
atom chem shift.val: 177.139
atom chem shift.val err: 0.000

1,50001,326
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 326
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 30
atom chem shift.val: 56.386
atom chem shift.val err: 0.053

1,50001,327
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 327
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 30
atom chem shift.val: 33.103
atom chem shift.val err: 0.007

1,50001,328
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 30
atom chem shift.val: 22.034
atom chem shift.val err: 0.000

1,50001,329
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 329
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 30
atom chem shift.val: 27.984
atom chem shift.val err: 0.000

1,50001,330
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 330
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CE
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 30
atom chem shift.val: 38.912
atom chem shift.val err: 0.000

1,50001,331
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 331
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: 168
atom chem shift.comp id: LYS
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 21
atom chem shift.seq id: 30
atom chem shift.val: 125.168
atom chem shift.val err: 0.027

1,50001,332
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 332
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 58
atom chem shift.seq id: 31
atom chem shift.val: 8.463
atom chem shift.val err: 0.008

1,50001,333
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 333
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 16
atom chem shift.seq id: 31
atom chem shift.val: 4.555
atom chem shift.val err: 0.008

1,50001,334
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 334
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 31
atom chem shift.val: 1.637
atom chem shift.val err: 0.004

1,50001,335
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 335
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 31
atom chem shift.val: 2.170
atom chem shift.val err: 0.005

1,50001,336
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 336
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 31
atom chem shift.val: 1.703
atom chem shift.val err: 0.003

1,50001,337
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 337
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 31
atom chem shift.val: 1.927
atom chem shift.val err: 0.004

1,50001,338
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 338
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 35
atom chem shift.seq id: 31
atom chem shift.val: 2.799
atom chem shift.val err: 0.008

1,50001,339
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 339
atom chem shift.ambiguity code: 2
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atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 31
atom chem shift.seq id: 31
atom chem shift.val: 2.897
atom chem shift.val err: 0.007

1,50001,340
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 340
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HE
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atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 45
atom chem shift.seq id: 31
atom chem shift.val: 8.858
atom chem shift.val err: 0.004

1,50001,341
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 341
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HH21
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 27
atom chem shift.seq id: 31
atom chem shift.val: 7.488
atom chem shift.val err: 0.004

1,50001,342
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 342
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HH22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HH22
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 27
atom chem shift.seq id: 31
atom chem shift.val: 7.394
atom chem shift.val err: 0.002

1,50001,343
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 343
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 31
atom chem shift.val: 180.044
atom chem shift.val err: 0.000

1,50001,344
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 344
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 31
atom chem shift.val: 56.032
atom chem shift.val err: 0.020

1,50001,345
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 345
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 31
atom chem shift.val: 31.045
atom chem shift.val err: 0.010

1,50001,346
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 346
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 31
atom chem shift.val: 27.311
atom chem shift.val err: 0.000

1,50001,347
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 347
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 31
atom chem shift.val: 44.217
atom chem shift.val err: 0.000

1,50001,348
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 348
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 26
atom chem shift.seq id: 31
atom chem shift.val: 117.915
atom chem shift.val err: 0.024

1,50001,349
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 349
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 31
atom chem shift.val: 85.019
atom chem shift.val err: 0.007

1,50001,350
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 350
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NH2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NH2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 169
atom chem shift.comp id: ARG
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 25
atom chem shift.seq id: 31
atom chem shift.val: 72.759
atom chem shift.val err: 0.011

1,50001,351
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 351
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: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 47
atom chem shift.seq id: 32
atom chem shift.val: 10.003
atom chem shift.val err: 0.010

1,50001,352
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 352
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 32
atom chem shift.val: 4.094
atom chem shift.val err: 0.008

1,50001,353
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 353
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 32
atom chem shift.val: 1.875
atom chem shift.val err: 0.009

1,50001,354
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 354
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 32
atom chem shift.val: 1.968
atom chem shift.val err: 0.004

1,50001,355
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 355
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 8
atom chem shift.seq id: 32
atom chem shift.val: 1.548
atom chem shift.val err: 0.007

1,50001,356
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 356
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 32
atom chem shift.val: 1.595
atom chem shift.val err: 0.003

1,50001,357
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 357
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 32
atom chem shift.val: 1.770
atom chem shift.val err: 0.001

1,50001,358
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 358
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 32
atom chem shift.val: 3.064
atom chem shift.val err: 0.002

1,50001,359
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 359
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 32
atom chem shift.val: 179.528
atom chem shift.val err: 0.000

1,50001,360
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 360
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 32
atom chem shift.val: 59.978
atom chem shift.val err: 0.006

1,50001,361
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 361
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 32
atom chem shift.val: 31.660
atom chem shift.val err: 0.024

1,50001,362
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 362
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 32
atom chem shift.val: 24.516
atom chem shift.val err: 0.000

1,50001,363
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 363
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 32
atom chem shift.val: 28.908
atom chem shift.val err: 0.000

1,50001,364
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 364
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CE
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CE
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 32
atom chem shift.val: 41.861
atom chem shift.val err: 0.000

1,50001,365
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 365
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 170
atom chem shift.comp id: LYS
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 18
atom chem shift.seq id: 32
atom chem shift.val: 129.486
atom chem shift.val err: 0.036

1,50001,366
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 366
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 37
atom chem shift.seq id: 33
atom chem shift.val: 8.331
atom chem shift.val err: 0.009

1,50001,367
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 367
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 10
atom chem shift.seq id: 33
atom chem shift.val: 4.248
atom chem shift.val err: 0.010

1,50001,368
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 368
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 33
atom chem shift.val: 1.389
atom chem shift.val err: 0.004

1,50001,369
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 369
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 33
atom chem shift.val: 1.389
atom chem shift.val err: 0.004

1,50001,370
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 370
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 33
atom chem shift.val: 1.389
atom chem shift.val err: 0.004

1,50001,371
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 371
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 33
atom chem shift.val: 178.230
atom chem shift.val err: 0.000

1,50001,372
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 372
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 33
atom chem shift.val: 53.333
atom chem shift.val err: 0.014

1,50001,373
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 373
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 33
atom chem shift.val: 18.941
atom chem shift.val err: 0.008

1,50001,374
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 374
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: 171
atom chem shift.comp id: ALA
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 17
atom chem shift.seq id: 33
atom chem shift.val: 118.112
atom chem shift.val err: 0.030

1,50001,375
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 375
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: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 40
atom chem shift.seq id: 34
atom chem shift.val: 7.673
atom chem shift.val err: 0.011

1,50001,376
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 376
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 6
atom chem shift.seq id: 34
atom chem shift.val: 4.574
atom chem shift.val err: 0.013

1,50001,377
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 377
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 34
atom chem shift.val: 2.986
atom chem shift.val err: 0.007

1,50001,378
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 378
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 13
atom chem shift.seq id: 34
atom chem shift.val: 2.727
atom chem shift.val err: 0.007

1,50001,379
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 379
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 34
atom chem shift.val: 176.206
atom chem shift.val err: 0.000

1,50001,380
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 380
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 34
atom chem shift.val: 55.757
atom chem shift.val err: 0.010

1,50001,381
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 381
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 3
atom chem shift.seq id: 34
atom chem shift.val: 41.848
atom chem shift.val err: 0.010

1,50001,382
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 382
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: 172
atom chem shift.comp id: ASP
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 16
atom chem shift.seq id: 34
atom chem shift.val: 116.593
atom chem shift.val err: 0.026

1,50001,383
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 383
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: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 32
atom chem shift.seq id: 35
atom chem shift.val: 7.624
atom chem shift.val err: 0.010

1,50001,384
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 384
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 35
atom chem shift.val: 4.423
atom chem shift.val err: 0.011

1,50001,385
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 385
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 35
atom chem shift.val: 1.457
atom chem shift.val err: 0.007

1,50001,386
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 386
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 35
atom chem shift.val: 1.457
atom chem shift.val err: 0.007

1,50001,387
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 387
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 9
atom chem shift.seq id: 35
atom chem shift.val: 1.457
atom chem shift.val err: 0.007

1,50001,388
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 388
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 35
atom chem shift.val: 176.629
atom chem shift.val err: 0.000

1,50001,389
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 389
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 7
atom chem shift.seq id: 35
atom chem shift.val: 52.508
atom chem shift.val err: 0.021

1,50001,390
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 390
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 35
atom chem shift.val: 19.480
atom chem shift.val err: 0.036

1,50001,391
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 391
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 173
atom chem shift.comp id: ALA
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 15
atom chem shift.seq id: 35
atom chem shift.val: 123.546
atom chem shift.val err: 0.024

1,50001,392
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 392
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 174
atom chem shift.comp id: SER
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 26
atom chem shift.seq id: 36
atom chem shift.val: 7.829
atom chem shift.val err: 0.009

1,50001,393
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 393
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 174
atom chem shift.comp id: SER
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 5
atom chem shift.seq id: 36
atom chem shift.val: 4.271
atom chem shift.val err: 0.007

1,50001,394
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 394
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 174
atom chem shift.comp id: SER
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 36
atom chem shift.val: 3.850
atom chem shift.val err: 0.004

1,50001,395
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 395
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 174
atom chem shift.comp id: SER
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 4
atom chem shift.seq id: 36
atom chem shift.val: 3.850
atom chem shift.val err: 0.004

1,50001,396
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 396
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 174
atom chem shift.comp id: SER
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 2
atom chem shift.seq id: 36
atom chem shift.val: 60.135
atom chem shift.val err: 0.008

1,50001,397
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 397
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 174
atom chem shift.comp id: SER
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 1
atom chem shift.seq id: 36
atom chem shift.val: 65.054
atom chem shift.val err: 0.000

1,50001,398
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 398
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: 174
atom chem shift.comp id: SER
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.occupancy: 14
atom chem shift.seq id: 36
atom chem shift.val: 121.078
atom chem shift.val err: 0.054

1,50001,399
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 399
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H1'
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 16
atom chem shift.seq id: 1
atom chem shift.val: 5.704
atom chem shift.val err: 0.001

1,50001,400
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 400
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H1A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 30
atom chem shift.seq id: 1
atom chem shift.val: 5.545
atom chem shift.val err: 0.002

1,50001,401
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 401
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H2'
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 14
atom chem shift.seq id: 1
atom chem shift.val: 4.887
atom chem shift.val err: 0.004

1,50001,402
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 402
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H2A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 6
atom chem shift.seq id: 1
atom chem shift.val: 4.473
atom chem shift.val err: 0.003

1,50001,403
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 403
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H3A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H3A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 11
atom chem shift.seq id: 1
atom chem shift.val: 4.788
atom chem shift.val err: 0.003

1,50001,404
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 404
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H4'
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 5
atom chem shift.seq id: 1
atom chem shift.val: 4.489
atom chem shift.val err: 0.005

1,50001,405
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 405
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H4A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 11
atom chem shift.seq id: 1
atom chem shift.val: 4.364
atom chem shift.val err: 0.004

1,50001,406
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 406
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5'1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H5'1
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 8
atom chem shift.seq id: 1
atom chem shift.val: 4.126
atom chem shift.val err: 0.002

1,50001,407
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 407
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5'2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H5'2
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 1
atom chem shift.seq id: 1
atom chem shift.val: 4.487
atom chem shift.val err: 0.000

1,50001,408
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 408
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H8
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H8
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 23
atom chem shift.seq id: 1
atom chem shift.val: 7.658
atom chem shift.val err: 0.001

1,50001,409
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 409
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H81
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H81
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 46
atom chem shift.seq id: 1
atom chem shift.val: 7.579
atom chem shift.val err: 0.003

1,50001,410
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 410
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H511
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H511
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 10
atom chem shift.seq id: 1
atom chem shift.val: 4.095
atom chem shift.val err: 0.002

1,50001,411
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 411
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H512
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H512
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 6
atom chem shift.seq id: 1
atom chem shift.val: 4.672
atom chem shift.val err: 0.002

1,50001,412
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 412
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN1
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 32
atom chem shift.seq id: 1
atom chem shift.val: 11.771
atom chem shift.val err: 0.002

1,50001,413
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 413
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN11
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 19
atom chem shift.seq id: 1
atom chem shift.val: 11.636
atom chem shift.val err: 0.001

1,50001,414
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 414
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN21
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 38
atom chem shift.seq id: 1
atom chem shift.val: 6.263
atom chem shift.val err: 0.005

1,50001,415
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 415
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN23
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 501
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.occupancy: 12
atom chem shift.seq id: 1
atom chem shift.val: 6.000
atom chem shift.val err: 0.003

1,50001,416
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 416
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H1'
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 26
atom chem shift.seq id: 1
atom chem shift.val: 5.252
atom chem shift.val err: 0.002

1,50001,417
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 417
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H1A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 8
atom chem shift.seq id: 1
atom chem shift.val: 4.880
atom chem shift.val err: 0.007

1,50001,418
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 418
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H2'
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 10
atom chem shift.seq id: 1
atom chem shift.val: 4.473
atom chem shift.val err: 0.003

1,50001,419
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 419
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H2A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H2A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 16
atom chem shift.seq id: 1
atom chem shift.val: 5.918
atom chem shift.val err: 0.003

1,50001,420
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 420
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H3'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H3'
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 13
atom chem shift.seq id: 1
atom chem shift.val: 4.863
atom chem shift.val err: 0.006

1,50001,421
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 421
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H3A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H3A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 15
atom chem shift.seq id: 1
atom chem shift.val: 4.590
atom chem shift.val err: 0.006

1,50001,422
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 422
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4'
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H4'
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 11
atom chem shift.seq id: 1
atom chem shift.val: 4.303
atom chem shift.val err: 0.004

1,50001,423
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 423
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H4A
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H4A
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 8
atom chem shift.seq id: 1
atom chem shift.val: 4.354
atom chem shift.val err: 0.023

1,50001,424
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 424
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5'1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H5'1
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 16
atom chem shift.seq id: 1
atom chem shift.val: 3.994
atom chem shift.val err: 0.004

1,50001,425
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 425
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H5'2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H5'2
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 6
atom chem shift.seq id: 1
atom chem shift.val: 4.667
atom chem shift.val err: 0.002

1,50001,426
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 426
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H8
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H8
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 39
atom chem shift.seq id: 1
atom chem shift.val: 7.353
atom chem shift.val err: 0.003

1,50001,427
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 427
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H81
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H81
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 26
atom chem shift.seq id: 1
atom chem shift.val: 7.450
atom chem shift.val err: 0.003

1,50001,428
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 428
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H511
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H511
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 6
atom chem shift.seq id: 1
atom chem shift.val: 4.074
atom chem shift.val err: 0.002

1,50001,429
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 429
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H512
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H512
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 4
atom chem shift.seq id: 1
atom chem shift.val: 4.422
atom chem shift.val err: 0.002

1,50001,430
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 430
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN1
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 17
atom chem shift.seq id: 1
atom chem shift.val: 11.148
atom chem shift.val err: 0.001

1,50001,431
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 431
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN11
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 41
atom chem shift.seq id: 1
atom chem shift.val: 13.211
atom chem shift.val err: 0.001

1,50001,432
type: atom chem shift
of datablock: info:bmrb/50001
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50001
atom chem shift.id: 432
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN21
atom chem shift.auth comp id: C2E
atom chem shift.auth seq id: 502
atom chem shift.comp id: C2E
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 3
atom chem shift.entity id: 2
atom chem shift.occupancy: 19
atom chem shift.seq id: 1
atom chem shift.val: 5.853
atom chem shift.val err: 0.004

50001,C2E
type: chem comp
of datablock: info:bmrb/50001
reference to entry: entry
chem comp.entry id: 50001
chem comp.id: C2E
chem comp.ambiguous flag: no
chem comp.aromatic: yes
chem comp.formal charge: 0
chem comp.formula: C20 H24 N10 O14 P2
chem comp.formula weight: 690.411
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates db code: 2RDE
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
chem comp.number atoms all: 70
chem comp.number atoms nh: 46
chem comp.pdb code: C2E
chem comp.processing site: EBI
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_C2E
chem comp.synonyms: c-di-GMP, Cyclic diguanosine monophosphate
chem comp.three letter code: C2E
chem comp.type: NON-POLYMER

info:pdb-ccd/C2E

pdb-ccd:C2E

info:pdb.ligand/C2E

pdb.ligand:C2E

P1,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: P1
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: P1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: P1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.904
chem comp atom.model cartn x ideal: 0.818
chem comp atom.model cartn y: -21.000
chem comp atom.model cartn y ideal: 2.310
chem comp atom.model cartn z: -7.328
chem comp atom.model cartn z ideal: 0.549
chem comp atom.pdb atom id: P1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: P

O2P,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O2P
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O2P
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O2P
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.614
chem comp atom.model cartn x ideal: 1.042
chem comp atom.model cartn y: -20.463
chem comp atom.model cartn y ideal: 2.707
chem comp atom.model cartn z: -5.950
chem comp atom.model cartn z ideal: -0.994
chem comp atom.pdb atom id: O2P
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O1P,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O1P
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O1P
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O1P
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.870
chem comp atom.model cartn x ideal: 0.594
chem comp atom.model cartn y: -22.498
chem comp atom.model cartn y ideal: 3.536
chem comp atom.model cartn z: -7.405
chem comp atom.model cartn z ideal: 1.347
chem comp atom.pdb atom id: O1P
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O5',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O5'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O5'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O5'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.861
chem comp atom.model cartn x ideal: -0.465
chem comp atom.model cartn y: -20.471
chem comp atom.model cartn y ideal: 1.347
chem comp atom.model cartn z: -8.398
chem comp atom.model cartn z ideal: 0.674
chem comp atom.pdb atom id: O5'
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C5',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C5'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C5'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C5'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.971
chem comp atom.model cartn x ideal: -1.805
chem comp atom.model cartn y: -20.901
chem comp atom.model cartn y ideal: 1.794
chem comp atom.model cartn z: -9.750
chem comp atom.model cartn z ideal: 0.465
chem comp atom.pdb atom id: C5'
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C4'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C4'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C4'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.899
chem comp atom.model cartn x ideal: -2.785
chem comp atom.model cartn y: -20.225
chem comp atom.model cartn y ideal: 0.799
chem comp atom.model cartn z: -10.577
chem comp atom.model cartn z ideal: 1.090
chem comp atom.pdb atom id: C4'
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O4',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O4'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O4'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O4'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.389
chem comp atom.model cartn x ideal: -4.110
chem comp atom.model cartn y: -20.452
chem comp atom.model cartn y ideal: 1.332
chem comp atom.model cartn z: -9.994
chem comp atom.model cartn z ideal: 1.035
chem comp atom.pdb atom id: O4'
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C3',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C3'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C3'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C3'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.063
chem comp atom.model cartn x ideal: -2.778
chem comp atom.model cartn y: -18.717
chem comp atom.model cartn y ideal: -0.516
chem comp atom.model cartn z: -10.636
chem comp atom.model cartn z ideal: 0.295
chem comp atom.pdb atom id: C3'
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O3',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O3'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O3'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O3'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.000
chem comp atom.model cartn x ideal: -2.127
chem comp atom.model cartn y: -18.334
chem comp atom.model cartn y ideal: -1.548
chem comp atom.model cartn z: -11.654
chem comp atom.model cartn z ideal: 1.040
chem comp atom.pdb atom id: O3'
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C2',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C2'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C2'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C2'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.350
chem comp atom.model cartn x ideal: -4.264
chem comp atom.model cartn y: -18.292
chem comp atom.model cartn y ideal: -0.862
chem comp atom.model cartn z: -10.868
chem comp atom.model cartn z ideal: 0.085
chem comp atom.pdb atom id: C2'
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O2',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O2'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O2'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O2'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.626
chem comp atom.model cartn x ideal: -4.576
chem comp atom.model cartn y: -18.346
chem comp atom.model cartn y ideal: -2.109
chem comp atom.model cartn z: -12.271
chem comp atom.model cartn z ideal: 0.709
chem comp atom.pdb atom id: O2'
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C1'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C1'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C1'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.212
chem comp atom.model cartn x ideal: -5.039
chem comp atom.model cartn y: -19.291
chem comp atom.model cartn y ideal: 0.281
chem comp atom.model cartn z: -10.119
chem comp atom.model cartn z ideal: 0.760
chem comp atom.pdb atom id: C1'
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: R
chem comp atom.type symbol: C

N9,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N9
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N9
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: N9
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.507
chem comp atom.model cartn x ideal: -6.089
chem comp atom.model cartn y: -18.784
chem comp atom.model cartn y ideal: 0.768
chem comp atom.model cartn z: -8.781
chem comp atom.model cartn z ideal: -0.139
chem comp atom.pdb atom id: N9
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C8,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C8
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.074
chem comp atom.model cartn x ideal: -5.990
chem comp atom.model cartn y: -19.304
chem comp atom.model cartn y ideal: 1.824
chem comp atom.model cartn z: -7.629
chem comp atom.model cartn z ideal: -0.998
chem comp atom.pdb atom id: C8
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N7,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N7
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N7
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: N7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.523
chem comp atom.model cartn x ideal: -7.110
chem comp atom.model cartn y: -18.591
chem comp atom.model cartn y ideal: 1.975
chem comp atom.model cartn z: -6.578
chem comp atom.model cartn z ideal: -1.641
chem comp atom.pdb atom id: N7
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C5,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C5
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.263
chem comp atom.model cartn x ideal: -7.992
chem comp atom.model cartn y: -17.593
chem comp atom.model cartn y ideal: 1.029
chem comp atom.model cartn z: -7.067
chem comp atom.model cartn z ideal: -1.236
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.030
chem comp atom.model cartn x ideal: -9.327
chem comp atom.model cartn y: -16.469
chem comp atom.model cartn y ideal: 0.715
chem comp atom.model cartn z: -6.501
chem comp atom.model cartn z ideal: -1.580
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O6,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O6
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.091
chem comp atom.model cartn x ideal: -9.927
chem comp atom.model cartn y: -16.295
chem comp atom.model cartn y ideal: 1.369
chem comp atom.model cartn z: -5.263
chem comp atom.model cartn z ideal: -2.416
chem comp atom.pdb atom id: O6
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: O

N1,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N1
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.665
chem comp atom.model cartn x ideal: -9.922
chem comp atom.model cartn y: -15.645
chem comp atom.model cartn y ideal: -0.328
chem comp atom.model cartn z: -7.344
chem comp atom.model cartn z ideal: -0.959
chem comp atom.pdb atom id: N1
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C2,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.615
chem comp atom.model cartn x ideal: -9.241
chem comp atom.model cartn y: -15.816
chem comp atom.model cartn y ideal: -1.052
chem comp atom.model cartn z: -8.681
chem comp atom.model cartn z ideal: -0.026
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N2,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N2
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.278
chem comp atom.model cartn x ideal: -9.870
chem comp atom.model cartn y: -14.952
chem comp atom.model cartn y ideal: -2.106
chem comp atom.model cartn z: -9.485
chem comp atom.model cartn z ideal: 0.588
chem comp atom.pdb atom id: N2
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: N

N3,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N3
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.924
chem comp atom.model cartn x ideal: -8.000
chem comp atom.model cartn y: -16.831
chem comp atom.model cartn y ideal: -0.771
chem comp atom.model cartn z: -9.266
chem comp atom.model cartn z ideal: 0.302
chem comp atom.pdb atom id: N3
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C4,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C4
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.242
chem comp atom.model cartn x ideal: -7.345
chem comp atom.model cartn y: -17.727
chem comp atom.model cartn y ideal: 0.244
chem comp atom.model cartn z: -8.519
chem comp atom.model cartn z ideal: -0.275
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: C

P11,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: P11
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: P11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: P11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.786
chem comp atom.model cartn x ideal: -0.797
chem comp atom.model cartn y: -17.024
chem comp atom.model cartn y ideal: -2.300
chem comp atom.model cartn z: -11.195
chem comp atom.model cartn z ideal: 0.531
chem comp atom.pdb atom id: P11
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: P

O21,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O21
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O21
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.787
chem comp atom.model cartn x ideal: -0.918
chem comp atom.model cartn y: -15.967
chem comp atom.model cartn y ideal: -2.593
chem comp atom.model cartn z: -10.842
chem comp atom.model cartn z ideal: -1.048
chem comp atom.pdb atom id: O21
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O11,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O11
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.645
chem comp atom.model cartn x ideal: -0.645
chem comp atom.model cartn y: -16.587
chem comp atom.model cartn y ideal: -3.580
chem comp atom.model cartn z: -12.339
chem comp atom.model cartn z ideal: 1.259
chem comp atom.pdb atom id: O11
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O5A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O5A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O5A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O5A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.695
chem comp atom.model cartn x ideal: 0.488
chem comp atom.model cartn y: -17.385
chem comp atom.model cartn y ideal: -1.371
chem comp atom.model cartn z: -9.945
chem comp atom.model cartn z ideal: 0.807
chem comp atom.pdb atom id: O5A
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C5A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C5A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C5A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C5A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.726
chem comp atom.model cartn x ideal: 1.830
chem comp atom.model cartn y: -18.365
chem comp atom.model cartn y ideal: -1.807
chem comp atom.model cartn z: -10.103
chem comp atom.model cartn z ideal: 0.588
chem comp atom.pdb atom id: C5A
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C4A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C4A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C4A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.447
chem comp atom.model cartn x ideal: 2.809
chem comp atom.model cartn y: -18.579
chem comp atom.model cartn y ideal: -0.796
chem comp atom.model cartn z: -8.792
chem comp atom.model cartn z ideal: 1.189
chem comp atom.pdb atom id: C4A
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O4A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O4A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O4A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O4A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.015
chem comp atom.model cartn x ideal: 4.138
chem comp atom.model cartn y: -17.354
chem comp atom.model cartn y ideal: -1.319
chem comp atom.model cartn z: -8.279
chem comp atom.model cartn z ideal: 1.133
chem comp atom.pdb atom id: O4A
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C3A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C3A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C3A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C3A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.537
chem comp atom.model cartn x ideal: 2.785
chem comp atom.model cartn y: -19.101
chem comp atom.model cartn y ideal: 0.505
chem comp atom.model cartn z: -7.690
chem comp atom.model cartn z ideal: 0.373
chem comp atom.pdb atom id: C3A
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: S
chem comp atom.type symbol: C

O3A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O3A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O3A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O3A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.390
chem comp atom.model cartn x ideal: 2.122
chem comp atom.model cartn y: -20.532
chem comp atom.model cartn y ideal: 1.542
chem comp atom.model cartn z: -7.761
chem comp atom.model cartn z ideal: 1.101
chem comp atom.pdb atom id: O3A
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C2A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C2A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C2A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.239
chem comp atom.model cartn x ideal: 4.267
chem comp atom.model cartn y: -18.621
chem comp atom.model cartn y ideal: 0.869
chem comp atom.model cartn z: -6.460
chem comp atom.model cartn z ideal: 0.161
chem comp atom.pdb atom id: C2A
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: R
chem comp atom.type symbol: C

O2A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O2A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
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: 6.209
chem comp atom.model cartn x ideal: 4.568
chem comp atom.model cartn y: -19.604
chem comp atom.model cartn y ideal: 2.114
chem comp atom.model cartn z: -6.062
chem comp atom.model cartn z ideal: 0.795
chem comp atom.pdb atom id: O2A
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C1A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C1A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C1A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.915
chem comp atom.model cartn x ideal: 5.057
chem comp atom.model cartn y: -17.310
chem comp atom.model cartn y ideal: -0.271
chem comp atom.model cartn z: -6.851
chem comp atom.model cartn z ideal: 0.822
chem comp atom.pdb atom id: C1A
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: R
chem comp atom.type symbol: C

N91,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N91
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N91
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: N91
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.066
chem comp atom.model cartn x ideal: 6.081
chem comp atom.model cartn y: -16.178
chem comp atom.model cartn y ideal: -0.766
chem comp atom.model cartn z: -6.432
chem comp atom.model cartn z ideal: -0.102
chem comp atom.pdb atom id: N91
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C81,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C81
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C81
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C81
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.215
chem comp atom.model cartn x ideal: 5.955
chem comp atom.model cartn y: -15.478
chem comp atom.model cartn y ideal: -1.826
chem comp atom.model cartn z: -7.209
chem comp atom.model cartn z ideal: -0.953
chem comp atom.pdb atom id: C81
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N71,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N71
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N71
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: N71
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.584
chem comp atom.model cartn x ideal: 7.057
chem comp atom.model cartn y: -14.516
chem comp atom.model cartn y ideal: -1.984
chem comp atom.model cartn z: -6.498
chem comp atom.model cartn z ideal: -1.625
chem comp atom.pdb atom id: N71
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C51,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C51
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C51
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C51
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.032
chem comp atom.model cartn x ideal: 7.953
chem comp atom.model cartn y: -14.594
chem comp atom.model cartn y ideal: -1.039
chem comp atom.model cartn z: -5.236
chem comp atom.model cartn z ideal: -1.249
chem comp atom.pdb atom id: C51
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C61,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C61
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C61
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C61
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.784
chem comp atom.model cartn x ideal: 9.280
chem comp atom.model cartn y: -13.882
chem comp atom.model cartn y ideal: -0.731
chem comp atom.model cartn z: -3.970
chem comp atom.model cartn z ideal: -1.630
chem comp atom.pdb atom id: C61
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O61,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: O61
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: O61
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O61
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.968
chem comp atom.model cartn x ideal: 9.855
chem comp atom.model cartn y: -12.941
chem comp atom.model cartn y ideal: -1.391
chem comp atom.model cartn z: -3.892
chem comp atom.model cartn z ideal: -2.479
chem comp atom.pdb atom id: O61
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: O

N11,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N11
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.459
chem comp atom.model cartn x ideal: 9.894
chem comp atom.model cartn y: -14.276
chem comp atom.model cartn y ideal: 0.313
chem comp atom.model cartn z: -2.885
chem comp atom.model cartn z ideal: -1.031
chem comp atom.pdb atom id: N11
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C21,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C21
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C21
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.352
chem comp atom.model cartn x ideal: 9.241
chem comp atom.model cartn y: -15.291
chem comp atom.model cartn y ideal: 1.044
chem comp atom.model cartn z: -2.919
chem comp atom.model cartn z ideal: -0.084
chem comp atom.pdb atom id: C21
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N21,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N21
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N21
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.000
chem comp atom.model cartn x ideal: 9.890
chem comp atom.model cartn y: -15.627
chem comp atom.model cartn y ideal: 2.099
chem comp atom.model cartn z: -1.778
chem comp atom.model cartn z ideal: 0.507
chem comp atom.pdb atom id: N21
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: N

N31,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: N31
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: N31
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N31
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.624
chem comp atom.model cartn x ideal: 8.009
chem comp atom.model cartn y: -15.989
chem comp atom.model cartn y ideal: 0.768
chem comp atom.model cartn z: -4.046
chem comp atom.model cartn z ideal: 0.279
chem comp atom.pdb atom id: N31
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C41,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: C41
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: C41
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C41
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.008
chem comp atom.model cartn x ideal: 7.335
chem comp atom.model cartn y: -15.685
chem comp atom.model cartn y ideal: -0.246
chem comp atom.model cartn z: -5.212
chem comp atom.model cartn z ideal: -0.275
chem comp atom.pdb atom id: C41
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: C

HO2P,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HO2P
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HO2P
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO2P
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.456
chem comp atom.model cartn x ideal: 0.295
chem comp atom.model cartn y: -21.186
chem comp atom.model cartn y ideal: 3.174
chem comp atom.model cartn z: -5.355
chem comp atom.model cartn z ideal: -1.393
chem comp atom.pdb atom id: HO2P
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5'1,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H5'1
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: H5'1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H5'1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.963
chem comp atom.model cartn x ideal: -1.937
chem comp atom.model cartn y: -20.632
chem comp atom.model cartn y ideal: 2.772
chem comp atom.model cartn z: -10.142
chem comp atom.model cartn z ideal: 0.929
chem comp atom.pdb atom id: H5'1
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5'2,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H5'2
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: H5'2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H5'2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.842
chem comp atom.model cartn x ideal: -2.000
chem comp atom.model cartn y: -21.992
chem comp atom.model cartn y ideal: 1.871
chem comp atom.model cartn z: -9.801
chem comp atom.model cartn z ideal: -0.604
chem comp atom.pdb atom id: H5'2
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H4'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H4'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H4'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.991
chem comp atom.model cartn x ideal: -2.507
chem comp atom.model cartn y: -20.653
chem comp atom.model cartn y ideal: 0.607
chem comp atom.model cartn z: -11.586
chem comp atom.model cartn z ideal: 2.125
chem comp atom.pdb atom id: H4'
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H3'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H3'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H3'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.496
chem comp atom.model cartn x ideal: -2.284
chem comp atom.model cartn y: -18.240
chem comp atom.model cartn y ideal: -0.379
chem comp atom.model cartn z: -9.745
chem comp atom.model cartn z ideal: -0.669
chem comp atom.pdb atom id: H3'
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H2'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H2'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.543
chem comp atom.model cartn x ideal: -4.497
chem comp atom.model cartn y: -17.266
chem comp atom.model cartn y ideal: -0.902
chem comp atom.model cartn z: -10.521
chem comp atom.model cartn z ideal: -0.979
chem comp atom.pdb atom id: H2'
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO2',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HO2'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HO2'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO2'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.523
chem comp atom.model cartn x ideal: -5.500
chem comp atom.model cartn y: -18.077
chem comp atom.model cartn y ideal: -2.378
chem comp atom.model cartn z: -12.428
chem comp atom.model cartn z ideal: 0.609
chem comp atom.pdb atom id: HO2'
chem comp atom.pdbx ordinal: 53
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H1',C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H1'
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H1'
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H1'
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.164
chem comp atom.model cartn x ideal: -5.484
chem comp atom.model cartn y: -19.486
chem comp atom.model cartn y ideal: -0.072
chem comp atom.model cartn z: -10.634
chem comp atom.model cartn z ideal: 1.690
chem comp atom.pdb atom id: H1'
chem comp atom.pdbx ordinal: 54
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H8,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H8
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.447
chem comp atom.model cartn x ideal: -5.113
chem comp atom.model cartn y: -20.180
chem comp atom.model cartn y ideal: 2.442
chem comp atom.model cartn z: -7.551
chem comp atom.model cartn z ideal: -1.124
chem comp atom.pdb atom id: H8
chem comp atom.pdbx ordinal: 55
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN1,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HN1
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: HN1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.192
chem comp atom.model cartn x ideal: -10.837
chem comp atom.model cartn y: -14.881
chem comp atom.model cartn y ideal: -0.563
chem comp atom.model cartn z: -6.972
chem comp atom.model cartn z ideal: -1.179
chem comp atom.pdb atom id: HN1
chem comp atom.pdbx ordinal: 56
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN21,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HN21
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HN21
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.250
chem comp atom.model cartn x ideal: -10.786
chem comp atom.model cartn y: -15.071
chem comp atom.model cartn y ideal: -2.326
chem comp atom.model cartn z: -10.478
chem comp atom.model cartn z ideal: 0.356
chem comp atom.pdb atom id: HN21
chem comp atom.pdbx ordinal: 57
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN22,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HN22
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HN22
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN22
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.796
chem comp atom.model cartn x ideal: -9.399
chem comp atom.model cartn y: -14.195
chem comp atom.model cartn y ideal: -2.631
chem comp atom.model cartn z: -9.086
chem comp atom.model cartn z ideal: 1.254
chem comp atom.pdb atom id: HN22
chem comp atom.pdbx ordinal: 58
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO21,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HO21
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HO21
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.897
chem comp atom.model cartn x ideal: -0.151
chem comp atom.model cartn y: -15.221
chem comp atom.model cartn y ideal: -3.046
chem comp atom.model cartn z: -11.420
chem comp atom.model cartn z ideal: -1.424
chem comp atom.pdb atom id: HO21
chem comp atom.pdbx ordinal: 59
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H511,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H511
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: H511
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H511
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.277
chem comp atom.model cartn x ideal: 1.977
chem comp atom.model cartn y: -19.315
chem comp atom.model cartn y ideal: -2.778
chem comp atom.model cartn z: -10.429
chem comp atom.model cartn z ideal: 1.060
chem comp atom.pdb atom id: H511
chem comp atom.pdbx ordinal: 60
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H512,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H512
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: H512
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H512
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.445
chem comp atom.model cartn x ideal: 2.013
chem comp atom.model cartn y: -18.016
chem comp atom.model cartn y ideal: -1.895
chem comp atom.model cartn z: -10.859
chem comp atom.model cartn z ideal: -0.483
chem comp atom.pdb atom id: H512
chem comp atom.pdbx ordinal: 61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H4A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H4A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H4A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.226
chem comp atom.model cartn x ideal: 2.539
chem comp atom.model cartn y: -19.317
chem comp atom.model cartn y ideal: -0.587
chem comp atom.model cartn z: -9.034
chem comp atom.model cartn z ideal: 2.223
chem comp atom.pdb atom id: H4A
chem comp atom.pdbx ordinal: 62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H3A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H3A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H3A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.497
chem comp atom.model cartn x ideal: 2.298
chem comp atom.model cartn y: -18.746
chem comp atom.model cartn y ideal: 0.345
chem comp atom.model cartn z: -7.743
chem comp atom.model cartn z ideal: -0.591
chem comp atom.pdb atom id: H3A
chem comp atom.pdbx ordinal: 63
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H2A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
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: 4.554
chem comp atom.model cartn x ideal: 4.496
chem comp atom.model cartn y: -18.467
chem comp atom.model cartn y ideal: 0.921
chem comp atom.model cartn z: -5.613
chem comp atom.model cartn z ideal: -0.903
chem comp atom.pdb atom id: H2A
chem comp atom.pdbx ordinal: 64
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO2A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HO2A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HO2A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HO2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.660
chem comp atom.model cartn x ideal: 5.488
chem comp atom.model cartn y: -19.306
chem comp atom.model cartn y ideal: 2.394
chem comp atom.model cartn z: -5.281
chem comp atom.model cartn z ideal: 0.695
chem comp atom.pdb atom id: HO2A
chem comp atom.pdbx ordinal: 65
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H1A,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H1A
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H1A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H1A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.899
chem comp atom.model cartn x ideal: 5.530
chem comp atom.model cartn y: -17.183
chem comp atom.model cartn y ideal: 0.089
chem comp atom.model cartn z: -6.377
chem comp atom.model cartn z ideal: 1.736
chem comp atom.pdb atom id: H1A
chem comp atom.pdbx ordinal: 66
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H81,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: H81
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 1
chem comp atom.alt atom id: H81
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H81
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.058
chem comp atom.model cartn x ideal: 5.073
chem comp atom.model cartn y: -15.662
chem comp atom.model cartn y ideal: -2.441
chem comp atom.model cartn z: -8.262
chem comp atom.model cartn z ideal: -1.052
chem comp atom.pdb atom id: H81
chem comp atom.pdbx ordinal: 67
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN11,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HN11
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HN11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.298
chem comp atom.model cartn x ideal: 10.804
chem comp atom.model cartn y: -13.804
chem comp atom.model cartn y ideal: 0.543
chem comp atom.model cartn z: -2.018
chem comp atom.model cartn z ideal: -1.276
chem comp atom.pdb atom id: HN11
chem comp atom.pdbx ordinal: 68
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN24,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HN24
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HN24
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN24
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.662
chem comp atom.model cartn x ideal: 10.800
chem comp atom.model cartn y: -16.376
chem comp atom.model cartn y ideal: 2.315
chem comp atom.model cartn z: -1.781
chem comp atom.model cartn z ideal: 0.250
chem comp atom.pdb atom id: HN24
chem comp atom.pdbx ordinal: 69
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN23,C2E,50001
type: chem comp atom
of datablock: info:bmrb/50001
reference to entry: entry
chem comp atom.atom id: HN23
chem comp atom.comp id: C2E
chem comp atom.entry id: 50001
chem comp atom.align: 0
chem comp atom.alt atom id: HN23
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN23
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.816
chem comp atom.model cartn x ideal: 9.439
chem comp atom.model cartn y: -15.126
chem comp atom.model cartn y ideal: 2.628
chem comp atom.model cartn z: -0.932
chem comp atom.model cartn z ideal: 1.183
chem comp atom.pdb atom id: HN23
chem comp atom.pdbx ordinal: 70
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C2E,50001,1
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: O2P
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,2
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1P
chem comp bond.atom id 2: P1
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,3
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O5'
chem comp bond.atom id 2: P1
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,4
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: O5'
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,5
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: O4'
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,6
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: C5'
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,7
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: C4'
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,8
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3'
chem comp bond.atom id 2: P11
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,9
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3'
chem comp bond.atom id 2: C3'
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,10
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: C3'
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,11
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: C1'
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,12
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2'
chem comp bond.atom id 2: C2'
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,13
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: O4'
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,14
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: N9
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,15
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 15
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,16
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 16
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: C8
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,17
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 17
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: N7
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,18
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 18
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: N7
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,19
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,20
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O6
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,21
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,22
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N1
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,23
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,24
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,25
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,26
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 26
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,27
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P11
chem comp bond.atom id 2: O21
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,28
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P11
chem comp bond.atom id 2: O5A
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,29
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O11
chem comp bond.atom id 2: P11
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,30
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5A
chem comp bond.atom id 2: O5A
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,31
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5A
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,32
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4A
chem comp bond.atom id 2: O4A
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,33
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4A
chem comp bond.atom id 2: C3A
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,34
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4A
chem comp bond.atom id 2: C1A
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,35
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: C2A
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,36
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 36
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3A
chem comp bond.atom id 2: C3A
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,37
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3A
chem comp bond.atom id 2: P1
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,38
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 38
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: O2A
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,39
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: C2A
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,40
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: N91
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,41
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 41
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: N91
chem comp bond.atom id 2: C41
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,42
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 42
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C81
chem comp bond.atom id 2: N71
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,43
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 43
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C81
chem comp bond.atom id 2: N91
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,44
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 44
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: N71
chem comp bond.atom id 2: C51
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,45
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 45
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: C41
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,46
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C51
chem comp bond.atom id 2: C61
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,47
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: O61
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,48
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 48
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C61
chem comp bond.atom id 2: N11
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,49
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: N11
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,50
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 50
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: N21
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,51
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N31
chem comp bond.atom id 2: C21
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

C2E,50001,52
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 52
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C41
chem comp bond.atom id 2: N31
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,53
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2P
chem comp bond.atom id 2: HO2P
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,54
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'1
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,55
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5'
chem comp bond.atom id 2: H5'2
chem comp bond.ordinal: 55
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,56
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4'
chem comp bond.atom id 2: H4'
chem comp bond.ordinal: 56
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,57
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3'
chem comp bond.atom id 2: H3'
chem comp bond.ordinal: 57
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,58
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2'
chem comp bond.atom id 2: H2'
chem comp bond.ordinal: 58
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,59
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2'
chem comp bond.atom id 2: HO2'
chem comp bond.ordinal: 59
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,60
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 60
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: H1'
chem comp bond.ordinal: 60
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,61
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H8
chem comp bond.ordinal: 61
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,62
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 62
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: HN1
chem comp bond.ordinal: 62
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,63
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN21
chem comp bond.ordinal: 63
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,64
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 64
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN22
chem comp bond.ordinal: 64
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,65
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O21
chem comp bond.atom id 2: HO21
chem comp bond.ordinal: 65
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,66
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 66
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5A
chem comp bond.atom id 2: H511
chem comp bond.ordinal: 66
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,67
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5A
chem comp bond.atom id 2: H512
chem comp bond.ordinal: 67
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,68
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4A
chem comp bond.atom id 2: H4A
chem comp bond.ordinal: 68
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,69
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 69
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: H3A
chem comp bond.ordinal: 69
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,70
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: H2A
chem comp bond.ordinal: 70
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,71
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 71
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2A
chem comp bond.atom id 2: HO2A
chem comp bond.ordinal: 71
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,72
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: H1A
chem comp bond.ordinal: 72
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,73
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C81
chem comp bond.atom id 2: H81
chem comp bond.ordinal: 73
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,74
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: HN11
chem comp bond.ordinal: 74
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,75
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N21
chem comp bond.atom id 2: HN24
chem comp bond.ordinal: 75
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,50001,76
type: chem comp bond
of datablock: info:bmrb/50001
chem comp bond.comp id: C2E
chem comp bond.entry id: 50001
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N21
chem comp bond.atom id 2: HN23
chem comp bond.ordinal: 76
chem comp bond.stereo config: N
chem comp bond.value order: SING

C2E,,50001,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/50001
chem comp descriptor.comp id: C2E
chem comp descriptor.descriptor: InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
chem comp descriptor.entry id: 50001
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr50001/chem_comp_descriptor/C2E,NC1%3DNc2n(cnc2C(%3DO)N1)%5BC%40%40H%5D3O%5BC%40%40H%5D4CO%5BP%5D(O)(%3DO)O%5BC%40H%5D5%5BC%40%40H%5D(O),50001,CACTVS,3.352,SMILES_CANONIC[cell cut: 202 characters, first 200 kept]
type: chem comp descriptor
of datablock: info:bmrb/50001
chem comp descriptor.comp id: C2E
chem comp descriptor.descriptor: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]5[C@@H](O)[C@@H](O[C@@H]5CO[P](O)(=O)O[C@H]4[C@H]3O)n6cnc7C(=O)NC(=Nc67)N
chem comp descriptor.entry id: 50001
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr50001/chem_comp_descriptor/C2E,NC1%3DNc2n(cnc2C(%3DO)N1)%5BCH%5D3O%5BCH%5D4CO%5BP%5D(O)(%3DO)O%5BCH%5D5%5BCH%5D(O)%5BCH%5D(O%5B,50001,CACTVS,3.352,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50001
chem comp descriptor.comp id: C2E
chem comp descriptor.descriptor: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7C(=O)NC(=Nc67)N
chem comp descriptor.entry id: 50001
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr50001/chem_comp_descriptor/C2E,O%3DC7NC(%3DNc1c7ncn1C6OC5COP(%3DO)(OC4C(OC(n2c3N%3DC(N)NC(%3DO)c3nc2)C4O),50001,ACD,11.02,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50001
chem comp descriptor.comp id: C2E
chem comp descriptor.descriptor: O=C7NC(=Nc1c7ncn1C6OC5COP(=O)(OC4C(OC(n2c3N=C(N)NC(=O)c3nc2)C4O)COP(=O)(O)OC5C6O)O)N
chem comp descriptor.entry id: 50001
chem comp descriptor.program: ACD
chem comp descriptor.program version: 11.02
chem comp descriptor.type: SMILES

C2E,PKFDLKSEZWEFGL-MHARETSRSA-N,50001,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/50001
chem comp descriptor.comp id: C2E
chem comp descriptor.descriptor: PKFDLKSEZWEFGL-MHARETSRSA-N
chem comp descriptor.entry id: 50001
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr50001/chem_comp_descriptor/C2E,c1nc2c(n1C3C(C4C(O3)COP(%3DO)(OC5C(COP(%3DO)(O4)O)OC(C5O)n6cnc7c6N%3DC,50001,OECHEM,1.7.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50001
chem comp descriptor.comp id: C2E
chem comp descriptor.descriptor: c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N
chem comp descriptor.entry id: 50001
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr50001/chem_comp_descriptor/C2E,c1nc2c(n1%5BC%40H%5D3%5BC%40%40H%5D(%5BC%40H%5D4%5BC%40H%5D(O3)CO%5BP%40%40%5D(%3DO)(O%5BC%40%40H%5D5%5BC%40%40H%5D(,50001,OECHEM,1.7.0,SM[cell cut: 214 characters, first 200 kept]
type: chem comp descriptor
of datablock: info:bmrb/50001
chem comp descriptor.comp id: C2E
chem comp descriptor.descriptor: c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N
chem comp descriptor.entry id: 50001
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES_CANONICAL

C2E,50001,9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,ACD,11.02,systematic name
type: chem comp identifier
of datablock: info:bmrb/50001
chem comp identifier.comp id: C2E
chem comp identifier.entry id: 50001
chem comp identifier.identifier: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
chem comp identifier.program: ACD
chem comp identifier.program version: 11.02
chem comp identifier.type: systematic name

1,50001,1
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 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: 500010301

1,50001,2
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.941
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 500010301

1,50001,3
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 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: 500010301

1,50001,4
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,5
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,6
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 500010301

1,50001,7
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 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: 500010301

1,50001,8
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 500010301

1,50001,9
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,10
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 500010301

1,50001,11
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.333
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: 0.471
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.375
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 500010301

1,50001,12
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 500010301

1,50001,13
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.778
chem shift completeness char.chem shift coverage: 0.813
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.714
chem shift completeness char.sc chem shift coverage: 0.727
chem shift completeness char.sf id: 500010301

1,50001,14
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,15
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 15
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.583
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
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: 0.667
chem shift completeness char.sf id: 500010301

1,50001,16
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
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.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,17
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 17
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,18
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,19
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,20
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,21
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 21
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 500010301

1,50001,22
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 22
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,23
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 500010301

1,50001,24
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 24
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,25
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 25
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,26
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 26
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 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: ARG
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 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: 500010301

1,50001,27
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
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: 500010301

1,50001,28
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.938
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.857
chem shift completeness char.sc chem shift coverage: 0.909
chem shift completeness char.sf id: 500010301

1,50001,29
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 29
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.722
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.615
chem shift completeness char.sf id: 500010301

1,50001,30
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 30
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 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: 500010301

1,50001,31
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 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: SER
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,32
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,33
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 500010301

1,50001,34
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 34
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 500010301

1,50001,35
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.700
chem shift completeness char.chem shift coverage: 0.588
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 500010301

1,50001,36
type: chem shift completeness char
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50001
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 500010301

1,50001
type: chem shift completeness list
of datablock: info:bmrb/50001
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 50001
chem shift completeness list.arom chem shift 13c fraction: 0/18
chem shift completeness list.arom chem shift 15n fraction: 1/1
chem shift completeness list.arom chem shift 1h fraction: 19/19
chem shift completeness list.arom chem shift fraction: 20/38
chem shift completeness list.assigned residue coverage: 0.972
chem shift completeness list.bb chem shift 13c fraction: 95/106
chem shift completeness list.bb chem shift 15n fraction: 31/33
chem shift completeness list.bb chem shift 1h fraction: 67/71
chem shift completeness list.bb chem shift fraction: 193/210
chem shift completeness list.chem shift 13c fraction: 127/162
chem shift completeness list.chem shift 15n fraction: 38/41
chem shift completeness list.chem shift 1h fraction: 208/228
chem shift completeness list.chem shift fraction: 373/431
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr50001_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 11/11
chem shift completeness list.methyl chem shift 1h fraction: 11/11
chem shift completeness list.methyl chem shift fraction: 22/22
chem shift completeness list.output file name: bmr50001_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-09-29Z
chem shift completeness list.sc chem shift 13c fraction: 65/90
chem shift completeness list.sc chem shift 15n fraction: 7/8
chem shift completeness list.sc chem shift 1h fraction: 141/157
chem shift completeness list.sc chem shift fraction: 213/255
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_1
chem shift completeness list.sf id: 500010301

1,50001,1
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 2D 1H-15N HSQC
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,4
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 4
chem shift experiment.experiment name: 2D 1H-1H TOCSY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,5
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 5
chem shift experiment.experiment name: 2D 1H-1H NOESY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,10
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 10
chem shift experiment.experiment name: 3D 1H-15N NOESY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,11
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 11
chem shift experiment.experiment name: 3D 1H-15N TOCSY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,15
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 15
chem shift experiment.experiment name: 3D CBCA(CO)NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,16
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 16
chem shift experiment.experiment name: 3D CBCANH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,17
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 17
chem shift experiment.experiment name: 3D C(CO)NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,18
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 18
chem shift experiment.experiment name: 3D HBHA(CO)NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,26
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 26
chem shift experiment.experiment name: 3D HNCA
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50001,27
type: chem shift experiment
of datablock: info:bmrb/50001
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50001
chem shift experiment.experiment id: 27
chem shift experiment.experiment name: 3D HNCO
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

13,C,1,50001,water
type: chem shift ref
of datablock: info:bmrb/50001
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 50001
chem shift ref.mol common name: water
chem shift ref.atom group: H
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 4.7729
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.2514495
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: indirect

1,H,1,50001,water
type: chem shift ref
of datablock: info:bmrb/50001
chem shift ref.atom isotope number: 1
chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 50001
chem shift ref.mol common name: water
chem shift ref.atom group: H
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 4.7729
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,50001,water
type: chem shift ref
of datablock: info:bmrb/50001
chem shift ref.atom isotope number: 15
chem shift ref.atom type: N
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 50001
chem shift ref.mol common name: water
chem shift ref.atom group: H
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 4.7729
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.1013291
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: indirect

50001,1
type: chem shift reference
of datablock: info:bmrb/50001
reference to entry: entry
chem shift reference.entry id: 50001
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chem_shift_reference_1

1,50001,1
type: chem shift software
of datablock: info:bmrb/50001
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 50001
chem shift software.software id: 1
chem shift software.method id: 0
chem shift software.software label: software_1

50001,1
type: citation
of datablock: info:bmrb/50001
reference to entry: entry
citation.entry id: 50001
citation.id: 1
citation.class: entry citation
citation.doi: 10.1073/pnas.2001232117
citation.journal abbrev: Proc. Natl. Acad. Sci. U. S. A.
citation.journal issn: 0027-8424
citation.journal issue: 29
citation.journal name full: Proceedings of the National Academy of Sciences of the United States of America
citation.journal volume: 117
citation.page first: 17211
citation.page last: 17220
citation.pubmed id: 32611811
citation.sf category: citations
citation.sf framecode: citations_1
citation.status: published
citation.title: Intercepting second-messenger signaling by rationally designed peptides sequestering c-di-GMP.
citation.type: journal
citation.year: 2020

info:doi/10.1073/pnas.2001232117

doi:10.1073/pnas.2001232117

urn:ISSN:0027-8424

issn:0027-8424

info:pmid/32611811

pubmed:32611811

1,50001,1
type: citation author
of datablock: info:bmrb/50001
citation author.citation id: 1
citation author.entry id: 50001
citation author.ordinal: 1
citation author.family name: Hee
citation author.first initial: C.
citation author.given name: Chee-Seng
citation author.middle initials: S.
citation author.pdbx name: Hee, C.S.

1,50001,2
type: citation author
of datablock: info:bmrb/50001
citation author.citation id: 1
citation author.entry id: 50001
citation author.ordinal: 2
citation author.family name: Habazettl
citation author.first initial: J.
citation author.given name: Judith
citation author.pdbx name: Habazettl, J.

1,50001,3
type: citation author
of datablock: info:bmrb/50001
citation author.citation id: 1
citation author.entry id: 50001
citation author.ordinal: 3
citation author.family name: Schmutz
citation author.first initial: C.
citation author.given name: Christoph
citation author.pdbx name: Schmutz, C.

1,50001,4
type: citation author
of datablock: info:bmrb/50001
citation author.citation id: 1
citation author.entry id: 50001
citation author.ordinal: 4
citation author.family name: Schirmer
citation author.first initial: T.
citation author.given name: Tilman
citation author.pdbx name: Schirmer, T.

1,50001,5
type: citation author
of datablock: info:bmrb/50001
citation author.citation id: 1
citation author.entry id: 50001
citation author.ordinal: 5
citation author.family name: Jenal
citation author.first initial: U.
citation author.given name: Urs
citation author.pdbx name: Jenal, U.

1,50001,6
type: citation author
of datablock: info:bmrb/50001
citation author.citation id: 1
citation author.entry id: 50001
citation author.ordinal: 6
citation author.family name: Grzesiek
citation author.first initial: S.
citation author.given name: Stephan
citation author.pdbx name: Grzesiek, S.

1,50001,CleD
type: citation keyword
of datablock: info:bmrb/50001
citation keyword.citation id: 1
citation keyword.entry id: 50001
citation keyword.keyword: CleD

1,50001,NMR
type: citation keyword
of datablock: info:bmrb/50001
citation keyword.citation id: 1
citation keyword.entry id: 50001
citation keyword.keyword: NMR

1,50001,bacterial second messenger
type: citation keyword
of datablock: info:bmrb/50001
citation keyword.citation id: 1
citation keyword.entry id: 50001
citation keyword.keyword: bacterial second messenger

1,50001,biofilm
type: citation keyword
of datablock: info:bmrb/50001
citation keyword.citation id: 1
citation keyword.entry id: 50001
citation keyword.keyword: biofilm

50001,assigned chemical shifts
type: data set
of datablock: info:bmrb/50001
reference to entry: entry
data set.entry id: 50001
data set.type: assigned_chemical_shifts
data set.count: 1

50001,heteronucl NOEs
type: data set
of datablock: info:bmrb/50001
reference to entry: entry
data set.entry id: 50001
data set.type: heteronucl_NOEs
data set.count: 1

50001,heteronucl T1 relaxation
type: data set
of datablock: info:bmrb/50001
reference to entry: entry
data set.entry id: 50001
data set.type: heteronucl_T1_relaxation
data set.count: 1

50001,heteronucl T2 relaxation
type: data set
of datablock: info:bmrb/50001
reference to entry: entry
data set.entry id: 50001
data set.type: heteronucl_T2_relaxation
data set.count: 2

50001,order parameters
type: data set
of datablock: info:bmrb/50001
reference to entry: entry
data set.entry id: 50001
data set.type: order_parameters
data set.count: 1

50001,13C chemical shifts
type: datum
of datablock: info:bmrb/50001
reference to entry: entry
datum.entry id: 50001
datum.type: 13C chemical shifts
datum.count: 125

50001,15N chemical shifts
type: datum
of datablock: info:bmrb/50001
reference to entry: entry
datum.entry id: 50001
datum.type: 15N chemical shifts
datum.count: 40

50001,1H chemical shifts
type: datum
of datablock: info:bmrb/50001
reference to entry: entry
datum.entry id: 50001
datum.type: 1H chemical shifts
datum.count: 267

50001,T1 relaxation values
type: datum
of datablock: info:bmrb/50001
reference to entry: entry
datum.entry id: 50001
datum.type: T1 relaxation values
datum.count: 30

50001,T2 relaxation values
type: datum
of datablock: info:bmrb/50001
reference to entry: entry
datum.entry id: 50001
datum.type: T2 relaxation values
datum.count: 60

50001,heteronuclear NOE values
type: datum
of datablock: info:bmrb/50001
reference to entry: entry
datum.entry id: 50001
datum.type: heteronuclear NOE values
datum.count: 30

50001,order parameters
type: datum
of datablock: info:bmrb/50001
reference to entry: entry
datum.entry id: 50001
datum.type: order parameters
datum.count: 30

50001,1
type: entity
of datablock: info:bmrb/50001
reference to entry: entry
entity.entry id: 50001
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 4164.603
entity.fragment: ARR_CleD
entity.name: entity 1
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 36
entity.paramagnetic: no
entity.parent entity id: 1
entity.polymer author seq details: This is the arginine rich region of CleD and binds ci-di-GMP.
entity.polymer seq one letter code: SKPREWVEAVAYVGPDRRRFNSADYKGPRKRKADAS
entity.polymer seq one letter code can: SKPREWVEAVAYVGPDRRRFNSADYKGPRKRKADAS
entity.polymer strand id: A
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: entity_1
entity.thiol state: not present
entity.type: polymer

50001,2
type: entity
of datablock: info:bmrb/50001
reference to entry: entry
entity.entry id: 50001
entity.id: 2
entity.bmrb code: C2E
entity.formula weight: 690.411
entity.name: entity C2E
entity.nonpolymer comp id: C2E
entity.nonpolymer comp label: chem_comp_C2E
entity.number of nonpolymer components: 1
entity.parent entity id: 2
entity.polymer seq one letter code can: (C2E)
entity.sf category: entity
entity.sf framecode: entity_C2E
entity.type: non-polymer

1,50001,1
type: entity assembly
of datablock: info:bmrb/50001
entity assembly.assembly id: 1
entity assembly.entry id: 50001
entity assembly.id: 1
entity assembly.chemical exchange state: yes
entity assembly.conformational isomer: yes
entity assembly.entity assembly name: ARR_CleD
entity assembly.entity id: 1
entity assembly.entity label: entity_1
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,50001,2
type: entity assembly
of datablock: info:bmrb/50001
entity assembly.assembly id: 1
entity assembly.entry id: 50001
entity assembly.id: 2
entity assembly.chemical exchange state: yes
entity assembly.conformational isomer: yes
entity assembly.entity assembly name: c-di-GMP, 1
entity assembly.entity id: 2
entity assembly.entity label: entity_C2E
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,50001,3
type: entity assembly
of datablock: info:bmrb/50001
entity assembly.assembly id: 1
entity assembly.entry id: 50001
entity assembly.id: 3
entity assembly.chemical exchange state: yes
entity assembly.conformational isomer: yes
entity assembly.entity assembly name: c-di-GMP, 2
entity assembly.entity id: 2
entity assembly.entity label: entity_C2E
entity assembly.experimental data reported: yes
entity assembly.physical state: native

2,50001,9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,BMRB
type: entity common name
of datablock: info:bmrb/50001
entity common name.entity id: 2
entity common name.entry id: 50001
entity common name.name: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
entity common name.type: BMRB

1,50001,1
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 1
entity comp index.auth seq id: 139
entity comp index.comp id: SER

1,50001,2
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 2
entity comp index.auth seq id: 140
entity comp index.comp id: LYS

1,50001,3
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 3
entity comp index.auth seq id: 141
entity comp index.comp id: PRO

1,50001,4
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 4
entity comp index.auth seq id: 142
entity comp index.comp id: ARG

1,50001,5
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 5
entity comp index.auth seq id: 143
entity comp index.comp id: GLU

1,50001,6
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 6
entity comp index.auth seq id: 144
entity comp index.comp id: TRP

1,50001,7
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 7
entity comp index.auth seq id: 145
entity comp index.comp id: VAL

1,50001,8
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 8
entity comp index.auth seq id: 146
entity comp index.comp id: GLU

1,50001,9
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 9
entity comp index.auth seq id: 147
entity comp index.comp id: ALA

1,50001,10
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 10
entity comp index.auth seq id: 148
entity comp index.comp id: VAL

1,50001,11
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 11
entity comp index.auth seq id: 149
entity comp index.comp id: ALA

1,50001,12
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 12
entity comp index.auth seq id: 150
entity comp index.comp id: TYR

1,50001,13
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 13
entity comp index.auth seq id: 151
entity comp index.comp id: VAL

1,50001,14
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 14
entity comp index.auth seq id: 152
entity comp index.comp id: GLY

1,50001,15
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 15
entity comp index.auth seq id: 153
entity comp index.comp id: PRO

1,50001,16
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 16
entity comp index.auth seq id: 154
entity comp index.comp id: ASP

1,50001,17
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 17
entity comp index.auth seq id: 155
entity comp index.comp id: ARG

1,50001,18
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 18
entity comp index.auth seq id: 156
entity comp index.comp id: ARG

1,50001,19
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 19
entity comp index.auth seq id: 157
entity comp index.comp id: ARG

1,50001,20
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 20
entity comp index.auth seq id: 158
entity comp index.comp id: PHE

1,50001,21
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 21
entity comp index.auth seq id: 159
entity comp index.comp id: ASN

1,50001,22
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 22
entity comp index.auth seq id: 160
entity comp index.comp id: SER

1,50001,23
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 23
entity comp index.auth seq id: 161
entity comp index.comp id: ALA

1,50001,24
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 24
entity comp index.auth seq id: 162
entity comp index.comp id: ASP

1,50001,25
type: entity comp index
of datablock: info:bmrb/50001
entity comp index.entity id: 1
entity comp index.entry id: 50001
entity comp index.id: 25
entity comp index.auth seq id: 163
entity comp index.comp id: TYR

1,50001,26
type: entity comp index
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1,50001,35
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2,50001,BMRB
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entity systematic name.name: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)

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http://bmrbpub.pdbj.org/rdf/bmr50001/entry/50001
type: entry
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entry.id: 50001
entry.accession date: 2019-08-15Z
entry.details: ARR_CleD is the arginine rich region of CleD from Caulobacter crescentus
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2019-08-20Z
entry.nmr star version: 3.2.6.0
entry.original nmr star version: 3.1
entry.original release date: 2019-08-20Z
entry.origination: author
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entry.submission date: 2019-08-15Z
entry.title: Solution structure of protein ARR_CleD in complex with c-di-GMP
entry.type: macromolecule
entry.version type: original

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orcid:0000-0002-7976-768X

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experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-15N NH2 NOESY
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50001,1,13
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 13
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D CBCA(CO)NH
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: NMR_spectrometer_2
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1,14
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 14
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D CBCANH
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: NMR_spectrometer_2
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1,15
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 15
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D C(CO)NH
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1,16
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 16
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D HBHA(CO)NH
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: NMR_spectrometer_2
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1,17
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 17
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-15N NOE without saturation
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50001,1,18
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 18
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-15N NOE with saturation
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50001,1,19
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 19
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D 1H-15N t1 interleaved
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50001,1,20
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 20
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D 1H-15N t2 interleaved
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50001,1,21
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 21
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-15N HSQC without 15 decoupling
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1,22
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 22
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-15N HSQC without 15N decoupling
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 2
experiment.sample condition list label: sample_conditions_2
experiment.sample id: 3
experiment.sample label: sample_3
experiment.sample state: anisotropic

50001,1,23
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 23
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D HN(CO)CA without decoupling
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1,24
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 24
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D HN(CO)CA without decoupling
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 2
experiment.sample condition list label: sample_conditions_2
experiment.sample id: 3
experiment.sample label: sample_3
experiment.sample state: anisotropic

50001,1,25
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 25
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D 1H-1H NOESY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50001,1,26
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 26
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D HNCA
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: NMR_spectrometer_2
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1,27
type: experiment
of datablock: info:bmrb/50001
experiment.entry id: 50001
experiment.experiment list id: 1
experiment.id: 27
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D HNCO
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: NMR_spectrometer_2
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50001,1
type: experiment list
of datablock: info:bmrb/50001
reference to entry: entry
experiment list.entry id: 50001
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list_1

50001,1,1
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 1
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ARG
heteronucl noe.auth comp id 2: ARG
heteronucl noe.auth seq id 1: 142
heteronucl noe.auth seq id 2: 142
heteronucl noe.comp id 1: ARG
heteronucl noe.comp id 2: ARG
heteronucl noe.comp index id 1: 4
heteronucl noe.comp index id 2: 4
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 4
heteronucl noe.seq id 2: 4
heteronucl noe.val: -0.0834
heteronucl noe.val err: 0.0047

50001,1,2
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 2
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: GLU
heteronucl noe.auth comp id 2: GLU
heteronucl noe.auth seq id 1: 143
heteronucl noe.auth seq id 2: 143
heteronucl noe.comp id 1: GLU
heteronucl noe.comp id 2: GLU
heteronucl noe.comp index id 1: 5
heteronucl noe.comp index id 2: 5
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 5
heteronucl noe.seq id 2: 5
heteronucl noe.val: 0.2275
heteronucl noe.val err: 0.0084

50001,1,3
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 3
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: TRP
heteronucl noe.auth comp id 2: TRP
heteronucl noe.auth seq id 1: 144
heteronucl noe.auth seq id 2: 144
heteronucl noe.comp id 1: TRP
heteronucl noe.comp id 2: TRP
heteronucl noe.comp index id 1: 6
heteronucl noe.comp index id 2: 6
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 6
heteronucl noe.seq id 2: 6
heteronucl noe.val: 0.3853
heteronucl noe.val err: 0.0126

50001,1,4
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 4
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: VAL
heteronucl noe.auth comp id 2: VAL
heteronucl noe.auth seq id 1: 145
heteronucl noe.auth seq id 2: 145
heteronucl noe.comp id 1: VAL
heteronucl noe.comp id 2: VAL
heteronucl noe.comp index id 1: 7
heteronucl noe.comp index id 2: 7
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 7
heteronucl noe.seq id 2: 7
heteronucl noe.val: 0.4831
heteronucl noe.val err: 0.0268

50001,1,5
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 5
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: GLU
heteronucl noe.auth comp id 2: GLU
heteronucl noe.auth seq id 1: 146
heteronucl noe.auth seq id 2: 146
heteronucl noe.comp id 1: GLU
heteronucl noe.comp id 2: GLU
heteronucl noe.comp index id 1: 8
heteronucl noe.comp index id 2: 8
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 8
heteronucl noe.seq id 2: 8
heteronucl noe.val: 0.4703
heteronucl noe.val err: 0.0035

50001,1,6
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 6
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ALA
heteronucl noe.auth comp id 2: ALA
heteronucl noe.auth seq id 1: 147
heteronucl noe.auth seq id 2: 147
heteronucl noe.comp id 1: ALA
heteronucl noe.comp id 2: ALA
heteronucl noe.comp index id 1: 9
heteronucl noe.comp index id 2: 9
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 9
heteronucl noe.seq id 2: 9
heteronucl noe.val: 0.4782
heteronucl noe.val err: 0.0081

50001,1,7
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 7
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: VAL
heteronucl noe.auth comp id 2: VAL
heteronucl noe.auth seq id 1: 148
heteronucl noe.auth seq id 2: 148
heteronucl noe.comp id 1: VAL
heteronucl noe.comp id 2: VAL
heteronucl noe.comp index id 1: 10
heteronucl noe.comp index id 2: 10
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 10
heteronucl noe.seq id 2: 10
heteronucl noe.val: 0.4537
heteronucl noe.val err: 0.0068

50001,1,8
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 8
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ALA
heteronucl noe.auth comp id 2: ALA
heteronucl noe.auth seq id 1: 149
heteronucl noe.auth seq id 2: 149
heteronucl noe.comp id 1: ALA
heteronucl noe.comp id 2: ALA
heteronucl noe.comp index id 1: 11
heteronucl noe.comp index id 2: 11
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 11
heteronucl noe.seq id 2: 11
heteronucl noe.val: 0.4573
heteronucl noe.val err: 0.0288

50001,1,9
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 9
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: TYR
heteronucl noe.auth comp id 2: TYR
heteronucl noe.auth seq id 1: 150
heteronucl noe.auth seq id 2: 150
heteronucl noe.comp id 1: TYR
heteronucl noe.comp id 2: TYR
heteronucl noe.comp index id 1: 12
heteronucl noe.comp index id 2: 12
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 12
heteronucl noe.seq id 2: 12
heteronucl noe.val: 0.6012
heteronucl noe.val err: 0.0130

50001,1,10
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 10
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: VAL
heteronucl noe.auth comp id 2: VAL
heteronucl noe.auth seq id 1: 151
heteronucl noe.auth seq id 2: 151
heteronucl noe.comp id 1: VAL
heteronucl noe.comp id 2: VAL
heteronucl noe.comp index id 1: 13
heteronucl noe.comp index id 2: 13
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 13
heteronucl noe.seq id 2: 13
heteronucl noe.val: 0.6488
heteronucl noe.val err: 0.0047

50001,1,11
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 11
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: GLY
heteronucl noe.auth comp id 2: GLY
heteronucl noe.auth seq id 1: 152
heteronucl noe.auth seq id 2: 152
heteronucl noe.comp id 1: GLY
heteronucl noe.comp id 2: GLY
heteronucl noe.comp index id 1: 14
heteronucl noe.comp index id 2: 14
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 14
heteronucl noe.seq id 2: 14
heteronucl noe.val: 0.6055
heteronucl noe.val err: 0.0854

50001,1,12
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 12
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ASP
heteronucl noe.auth comp id 2: ASP
heteronucl noe.auth seq id 1: 154
heteronucl noe.auth seq id 2: 154
heteronucl noe.comp id 1: ASP
heteronucl noe.comp id 2: ASP
heteronucl noe.comp index id 1: 16
heteronucl noe.comp index id 2: 16
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 16
heteronucl noe.seq id 2: 16
heteronucl noe.val: 0.6637
heteronucl noe.val err: 0.0005

50001,1,13
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 13
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ARG
heteronucl noe.auth comp id 2: ARG
heteronucl noe.auth seq id 1: 155
heteronucl noe.auth seq id 2: 155
heteronucl noe.comp id 1: ARG
heteronucl noe.comp id 2: ARG
heteronucl noe.comp index id 1: 17
heteronucl noe.comp index id 2: 17
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 17
heteronucl noe.seq id 2: 17
heteronucl noe.val: 0.7096
heteronucl noe.val err: 0.0056

50001,1,14
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 14
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ARG
heteronucl noe.auth comp id 2: ARG
heteronucl noe.auth seq id 1: 156
heteronucl noe.auth seq id 2: 156
heteronucl noe.comp id 1: ARG
heteronucl noe.comp id 2: ARG
heteronucl noe.comp index id 1: 18
heteronucl noe.comp index id 2: 18
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 18
heteronucl noe.seq id 2: 18
heteronucl noe.val: 0.7330
heteronucl noe.val err: 0.0056

50001,1,15
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 15
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ARG
heteronucl noe.auth comp id 2: ARG
heteronucl noe.auth seq id 1: 157
heteronucl noe.auth seq id 2: 157
heteronucl noe.comp id 1: ARG
heteronucl noe.comp id 2: ARG
heteronucl noe.comp index id 1: 19
heteronucl noe.comp index id 2: 19
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 19
heteronucl noe.seq id 2: 19
heteronucl noe.val: 0.6568
heteronucl noe.val err: 0.0024

50001,1,16
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 16
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: PHE
heteronucl noe.auth comp id 2: PHE
heteronucl noe.auth seq id 1: 158
heteronucl noe.auth seq id 2: 158
heteronucl noe.comp id 1: PHE
heteronucl noe.comp id 2: PHE
heteronucl noe.comp index id 1: 20
heteronucl noe.comp index id 2: 20
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 20
heteronucl noe.seq id 2: 20
heteronucl noe.val: 0.5719
heteronucl noe.val err: 0.0061

50001,1,17
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 17
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ASN
heteronucl noe.auth comp id 2: ASN
heteronucl noe.auth seq id 1: 159
heteronucl noe.auth seq id 2: 159
heteronucl noe.comp id 1: ASN
heteronucl noe.comp id 2: ASN
heteronucl noe.comp index id 1: 21
heteronucl noe.comp index id 2: 21
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 21
heteronucl noe.seq id 2: 21
heteronucl noe.val: 0.4003
heteronucl noe.val err: 0.0124

50001,1,18
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 18
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: SER
heteronucl noe.auth comp id 2: SER
heteronucl noe.auth seq id 1: 160
heteronucl noe.auth seq id 2: 160
heteronucl noe.comp id 1: SER
heteronucl noe.comp id 2: SER
heteronucl noe.comp index id 1: 22
heteronucl noe.comp index id 2: 22
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 22
heteronucl noe.seq id 2: 22
heteronucl noe.val: 0.3823
heteronucl noe.val err: 0.0039

50001,1,19
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 19
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ALA
heteronucl noe.auth comp id 2: ALA
heteronucl noe.auth seq id 1: 161
heteronucl noe.auth seq id 2: 161
heteronucl noe.comp id 1: ALA
heteronucl noe.comp id 2: ALA
heteronucl noe.comp index id 1: 23
heteronucl noe.comp index id 2: 23
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 23
heteronucl noe.seq id 2: 23
heteronucl noe.val: 0.4473
heteronucl noe.val err: 0.0143

50001,1,20
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 20
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ASP
heteronucl noe.auth comp id 2: ASP
heteronucl noe.auth seq id 1: 162
heteronucl noe.auth seq id 2: 162
heteronucl noe.comp id 1: ASP
heteronucl noe.comp id 2: ASP
heteronucl noe.comp index id 1: 24
heteronucl noe.comp index id 2: 24
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 24
heteronucl noe.seq id 2: 24
heteronucl noe.val: 0.4591
heteronucl noe.val err: 0.0032

50001,1,21
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 21
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: TYR
heteronucl noe.auth comp id 2: TYR
heteronucl noe.auth seq id 1: 163
heteronucl noe.auth seq id 2: 163
heteronucl noe.comp id 1: TYR
heteronucl noe.comp id 2: TYR
heteronucl noe.comp index id 1: 25
heteronucl noe.comp index id 2: 25
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 25
heteronucl noe.seq id 2: 25
heteronucl noe.val: 0.5464
heteronucl noe.val err: 0.0004

50001,1,22
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 22
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: LYS
heteronucl noe.auth comp id 2: LYS
heteronucl noe.auth seq id 1: 164
heteronucl noe.auth seq id 2: 164
heteronucl noe.comp id 1: LYS
heteronucl noe.comp id 2: LYS
heteronucl noe.comp index id 1: 26
heteronucl noe.comp index id 2: 26
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 26
heteronucl noe.seq id 2: 26
heteronucl noe.val: 0.5597
heteronucl noe.val err: 0.0217

50001,1,23
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 23
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ARG
heteronucl noe.auth comp id 2: ARG
heteronucl noe.auth seq id 1: 167
heteronucl noe.auth seq id 2: 167
heteronucl noe.comp id 1: ARG
heteronucl noe.comp id 2: ARG
heteronucl noe.comp index id 1: 29
heteronucl noe.comp index id 2: 29
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 29
heteronucl noe.seq id 2: 29
heteronucl noe.val: 0.6600
heteronucl noe.val err: 0.0080

50001,1,24
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 24
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: LYS
heteronucl noe.auth comp id 2: LYS
heteronucl noe.auth seq id 1: 168
heteronucl noe.auth seq id 2: 168
heteronucl noe.comp id 1: LYS
heteronucl noe.comp id 2: LYS
heteronucl noe.comp index id 1: 30
heteronucl noe.comp index id 2: 30
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 30
heteronucl noe.seq id 2: 30
heteronucl noe.val: 0.6496
heteronucl noe.val err: 0.0082

50001,1,25
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 25
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ARG
heteronucl noe.auth comp id 2: ARG
heteronucl noe.auth seq id 1: 169
heteronucl noe.auth seq id 2: 169
heteronucl noe.comp id 1: ARG
heteronucl noe.comp id 2: ARG
heteronucl noe.comp index id 1: 31
heteronucl noe.comp index id 2: 31
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 31
heteronucl noe.seq id 2: 31
heteronucl noe.val: 0.7312
heteronucl noe.val err: 0.0090

50001,1,26
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 26
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: LYS
heteronucl noe.auth comp id 2: LYS
heteronucl noe.auth seq id 1: 170
heteronucl noe.auth seq id 2: 170
heteronucl noe.comp id 1: LYS
heteronucl noe.comp id 2: LYS
heteronucl noe.comp index id 1: 32
heteronucl noe.comp index id 2: 32
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 32
heteronucl noe.seq id 2: 32
heteronucl noe.val: 0.6953
heteronucl noe.val err: 0.0047

50001,1,27
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 27
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ALA
heteronucl noe.auth comp id 2: ALA
heteronucl noe.auth seq id 1: 171
heteronucl noe.auth seq id 2: 171
heteronucl noe.comp id 1: ALA
heteronucl noe.comp id 2: ALA
heteronucl noe.comp index id 1: 33
heteronucl noe.comp index id 2: 33
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 33
heteronucl noe.seq id 2: 33
heteronucl noe.val: 0.6367
heteronucl noe.val err: 0.0004

50001,1,28
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 28
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ASP
heteronucl noe.auth comp id 2: ASP
heteronucl noe.auth seq id 1: 172
heteronucl noe.auth seq id 2: 172
heteronucl noe.comp id 1: ASP
heteronucl noe.comp id 2: ASP
heteronucl noe.comp index id 1: 34
heteronucl noe.comp index id 2: 34
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 34
heteronucl noe.seq id 2: 34
heteronucl noe.val: 0.6542
heteronucl noe.val err: 0.0045

50001,1,29
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 29
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: ALA
heteronucl noe.auth comp id 2: ALA
heteronucl noe.auth seq id 1: 173
heteronucl noe.auth seq id 2: 173
heteronucl noe.comp id 1: ALA
heteronucl noe.comp id 2: ALA
heteronucl noe.comp index id 1: 35
heteronucl noe.comp index id 2: 35
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 35
heteronucl noe.seq id 2: 35
heteronucl noe.val: 0.4906
heteronucl noe.val err: 0.0040

50001,1,30
type: heteronucl noe
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe.entry id: 50001
heteronucl noe.heteronucl noe list id: 1
heteronucl noe.id: 30
heteronucl noe.assembly atom id 1: 0
heteronucl noe.assembly atom id 2: 0
heteronucl noe.atom id 1: N
heteronucl noe.atom id 2: H
heteronucl noe.atom isotope number 1: 15
heteronucl noe.atom isotope number 2: 1
heteronucl noe.atom type 1: N
heteronucl noe.atom type 2: H
heteronucl noe.auth atom id 1: N
heteronucl noe.auth atom id 2: H
heteronucl noe.auth comp id 1: SER
heteronucl noe.auth comp id 2: SER
heteronucl noe.auth seq id 1: 174
heteronucl noe.auth seq id 2: 174
heteronucl noe.comp id 1: SER
heteronucl noe.comp id 2: SER
heteronucl noe.comp index id 1: 36
heteronucl noe.comp index id 2: 36
heteronucl noe.entity assembly id 1: 1
heteronucl noe.entity assembly id 2: 1
heteronucl noe.entity id 1: 1
heteronucl noe.entity id 2: 1
heteronucl noe.resonance id 1: 0
heteronucl noe.resonance id 2: 0
heteronucl noe.seq id 1: 36
heteronucl noe.seq id 2: 36
heteronucl noe.val: -1.0054
heteronucl noe.val err: 0.0012

50001,19,1
type: heteronucl noe experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe experiment.entry id: 50001
heteronucl noe experiment.experiment id: 19
heteronucl noe experiment.heteronucl noe list id: 1
heteronucl noe experiment.experiment name: 2D 1H-15N NOE without saturation
heteronucl noe experiment.sample id: 0
heteronucl noe experiment.sample state: isotropic

50001,20,1
type: heteronucl noe experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe experiment.entry id: 50001
heteronucl noe experiment.experiment id: 20
heteronucl noe experiment.heteronucl noe list id: 1
heteronucl noe experiment.experiment name: 2D 1H-15N NOE with saturation
heteronucl noe experiment.sample id: 0
heteronucl noe experiment.sample state: isotropic

50001,1
type: heteronucl noe list
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe list.entry id: 50001
heteronucl noe list.id: 1
heteronucl noe list.heteronuclear noe val type: na
heteronucl noe list.sample condition list id: 1
heteronucl noe list.sample condition list label: sample_conditions_1
heteronucl noe list.sf category: heteronucl_NOEs
heteronucl noe list.sf framecode: heteronuclear_noe_list_1
heteronucl noe list.spectrometer frequency 1h: 600.1228

50001,1,2
type: heteronucl noe software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe software.entry id: 50001
heteronucl noe software.heteronucl noe list id: 1
heteronucl noe software.software id: 2
heteronucl noe software.method id: 0
heteronucl noe software.software label: software_2

50001,1,4
type: heteronucl noe software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe software.entry id: 50001
heteronucl noe software.heteronucl noe list id: 1
heteronucl noe software.software id: 4
heteronucl noe software.method id: 0
heteronucl noe software.software label: software_4

50001,1,5
type: heteronucl noe software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe software.entry id: 50001
heteronucl noe software.heteronucl noe list id: 1
heteronucl noe software.software id: 5
heteronucl noe software.method id: 0
heteronucl noe software.software label: software_5

50001,1,6
type: heteronucl noe software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl noe software.entry id: 50001
heteronucl noe software.heteronucl noe list id: 1
heteronucl noe software.software id: 6
heteronucl noe software.method id: 0
heteronucl noe software.software label: software_6

50001,21,1
type: heteronucl t1 experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t1 experiment.entry id: 50001
heteronucl t1 experiment.experiment id: 21
heteronucl t1 experiment.heteronucl t1 list id: 1
heteronucl t1 experiment.experiment name: 3D 1H-15N t1 interleaved
heteronucl t1 experiment.sample id: 0
heteronucl t1 experiment.sample state: isotropic

50001,1
type: heteronucl t1 list
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t1 list.entry id: 50001
heteronucl t1 list.id: 1
heteronucl t1 list.sample condition list id: 1
heteronucl t1 list.sample condition list label: sample_conditions_1
heteronucl t1 list.sf category: heteronucl_T1_relaxation
heteronucl t1 list.sf framecode: heteronuclear_T1_list_1
heteronucl t1 list.spectrometer frequency 1h: 600.1228
heteronucl t1 list.t1 coherence type: Sz
heteronucl t1 list.t1 val units: s

50001,1,2
type: heteronucl t1 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t1 software.entry id: 50001
heteronucl t1 software.heteronucl t1 list id: 1
heteronucl t1 software.software id: 2
heteronucl t1 software.method id: 0
heteronucl t1 software.software label: software_2

50001,1,4
type: heteronucl t1 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t1 software.entry id: 50001
heteronucl t1 software.heteronucl t1 list id: 1
heteronucl t1 software.software id: 4
heteronucl t1 software.method id: 0
heteronucl t1 software.software label: software_4

50001,1,5
type: heteronucl t1 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t1 software.entry id: 50001
heteronucl t1 software.heteronucl t1 list id: 1
heteronucl t1 software.software id: 5
heteronucl t1 software.method id: 0
heteronucl t1 software.software label: software_5

50001,1,6
type: heteronucl t1 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t1 software.entry id: 50001
heteronucl t1 software.heteronucl t1 list id: 1
heteronucl t1 software.software id: 6
heteronucl t1 software.method id: 0
heteronucl t1 software.software label: software_6

50001,22,1
type: heteronucl t2 experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 experiment.entry id: 50001
heteronucl t2 experiment.experiment id: 22
heteronucl t2 experiment.heteronucl t2 list id: 1
heteronucl t2 experiment.experiment name: 3D 1H-15N t2 interleaved
heteronucl t2 experiment.sample id: 0
heteronucl t2 experiment.sample state: isotropic

50001,19,2
type: heteronucl t2 experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 experiment.entry id: 50001
heteronucl t2 experiment.experiment id: 19
heteronucl t2 experiment.heteronucl t2 list id: 2
heteronucl t2 experiment.experiment name: 2D 1H-15N NOE without saturation
heteronucl t2 experiment.sample id: 0
heteronucl t2 experiment.sample state: isotropic

50001,20,2
type: heteronucl t2 experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 experiment.entry id: 50001
heteronucl t2 experiment.experiment id: 20
heteronucl t2 experiment.heteronucl t2 list id: 2
heteronucl t2 experiment.experiment name: 2D 1H-15N NOE with saturation
heteronucl t2 experiment.sample id: 0
heteronucl t2 experiment.sample state: isotropic

50001,21,2
type: heteronucl t2 experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 experiment.entry id: 50001
heteronucl t2 experiment.experiment id: 21
heteronucl t2 experiment.heteronucl t2 list id: 2
heteronucl t2 experiment.experiment name: 3D 1H-15N t1 interleaved
heteronucl t2 experiment.sample id: 0
heteronucl t2 experiment.sample state: isotropic

50001,22,2
type: heteronucl t2 experiment
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 experiment.entry id: 50001
heteronucl t2 experiment.experiment id: 22
heteronucl t2 experiment.heteronucl t2 list id: 2
heteronucl t2 experiment.experiment name: 3D 1H-15N t2 interleaved
heteronucl t2 experiment.sample id: 0
heteronucl t2 experiment.sample state: isotropic

50001,1
type: heteronucl t2 list
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 list.entry id: 50001
heteronucl t2 list.id: 1
heteronucl t2 list.sample condition list id: 1
heteronucl t2 list.sample condition list label: sample_conditions_1
heteronucl t2 list.sf category: heteronucl_T2_relaxation
heteronucl t2 list.sf framecode: heteronuclear_T2_list_1
heteronucl t2 list.spectrometer frequency 1h: 600.1228
heteronucl t2 list.t2 coherence type: na
heteronucl t2 list.t2 val units: s

50001,2
type: heteronucl t2 list
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 list.entry id: 50001
heteronucl t2 list.id: 2
heteronucl t2 list.details: These are the exchange rates derived from fitting the relaxation data with ModelFree.
heteronucl t2 list.sample condition list id: 1
heteronucl t2 list.sample condition list label: sample_conditions_1
heteronucl t2 list.sf category: heteronucl_T2_relaxation
heteronucl t2 list.sf framecode: heteronuclear_Rex_list_1
heteronucl t2 list.spectrometer frequency 1h: 600.1228
heteronucl t2 list.t2 coherence type: na
heteronucl t2 list.t2 val units: s-1

50001,1,2
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 1
heteronucl t2 software.software id: 2
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_2

50001,1,4
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 1
heteronucl t2 software.software id: 4
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_4

50001,1,5
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 1
heteronucl t2 software.software id: 5
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_5

50001,1,6
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 1
heteronucl t2 software.software id: 6
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_6

50001,2,2
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 2
heteronucl t2 software.software id: 2
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_2

50001,2,4
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 2
heteronucl t2 software.software id: 4
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_4

50001,2,5
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 2
heteronucl t2 software.software id: 5
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_5

50001,2,6
type: heteronucl t2 software
of datablock: info:bmrb/50001
reference to entry: entry
heteronucl t2 software.entry id: 50001
heteronucl t2 software.heteronucl t2 list id: 2
heteronucl t2 software.software id: 6
heteronucl t2 software.method id: 0
heteronucl t2 software.software label: software_6

50001,1
type: nmr spectrometer
of datablock: info:bmrb/50001
reference to entry: entry
nmr spectrometer.entry id: 50001
nmr spectrometer.id: 1
nmr spectrometer.details: TCI probe head
nmr spectrometer.field strength: 900
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Uniform NMR System
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer_1

50001,2
type: nmr spectrometer
of datablock: info:bmrb/50001
reference to entry: entry
nmr spectrometer.entry id: 50001
nmr spectrometer.id: 2
nmr spectrometer.details: TXI probe head
nmr spectrometer.field strength: 800
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Uniform NMR System
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer_2

50001,3
type: nmr spectrometer
of datablock: info:bmrb/50001
reference to entry: entry
nmr spectrometer.entry id: 50001
nmr spectrometer.id: 3
nmr spectrometer.details: TXI probe head
nmr spectrometer.field strength: 600
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Uniform NMR System
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer_3

50001,1,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 1
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ARG
order param.auth seq id: 142
order param.comp id: ARG
order param.comp index id: 4
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.477
order param.order param val fit err: 0.002
order param.resonance id: 0
order param.seq id: 4

50001,2,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 2
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: GLU
order param.auth seq id: 143
order param.comp id: GLU
order param.comp index id: 5
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.654
order param.order param val fit err: 0.003
order param.resonance id: 0
order param.seq id: 5

50001,3,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 3
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: TRP
order param.auth seq id: 144
order param.comp id: TRP
order param.comp index id: 6
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.741
order param.order param val fit err: 0.003
order param.resonance id: 0
order param.seq id: 6

50001,4,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 4
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: VAL
order param.auth seq id: 145
order param.comp id: VAL
order param.comp index id: 7
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.804
order param.order param val fit err: 0.023
order param.resonance id: 0
order param.seq id: 7

50001,5,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 5
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: GLU
order param.auth seq id: 146
order param.comp id: GLU
order param.comp index id: 8
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.600
order param.order param val fit err: 0.001
order param.resonance id: 0
order param.seq id: 8

50001,6,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 6
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ALA
order param.auth seq id: 147
order param.comp id: ALA
order param.comp index id: 9
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.680
order param.order param val fit err: 0.001
order param.resonance id: 0
order param.seq id: 9

50001,7,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 7
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: VAL
order param.auth seq id: 148
order param.comp id: VAL
order param.comp index id: 10
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.686
order param.order param val fit err: 0.002
order param.resonance id: 0
order param.seq id: 10

50001,8,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 8
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ALA
order param.auth seq id: 149
order param.comp id: ALA
order param.comp index id: 11
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.768
order param.order param val fit err: 0.010
order param.resonance id: 0
order param.seq id: 11

50001,9,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 9
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: TYR
order param.auth seq id: 150
order param.comp id: TYR
order param.comp index id: 12
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.728
order param.order param val fit err: 0.014
order param.resonance id: 0
order param.seq id: 12

50001,10,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 10
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: VAL
order param.auth seq id: 151
order param.comp id: VAL
order param.comp index id: 13
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.829
order param.order param val fit err: 0.006
order param.resonance id: 0
order param.seq id: 13

50001,11,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 11
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: GLY
order param.auth seq id: 152
order param.comp id: GLY
order param.comp index id: 14
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.816
order param.order param val fit err: 0.020
order param.resonance id: 0
order param.seq id: 14

50001,12,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 12
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ASP
order param.auth seq id: 154
order param.comp id: ASP
order param.comp index id: 16
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.842
order param.order param val fit err: 0.002
order param.resonance id: 0
order param.seq id: 16

50001,13,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 13
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ARG
order param.auth seq id: 155
order param.comp id: ARG
order param.comp index id: 17
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.867
order param.order param val fit err: 0.001
order param.resonance id: 0
order param.seq id: 17

50001,14,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 14
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ARG
order param.auth seq id: 156
order param.comp id: ARG
order param.comp index id: 18
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.871
order param.order param val fit err: 0.005
order param.resonance id: 0
order param.seq id: 18

50001,15,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 15
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ARG
order param.auth seq id: 157
order param.comp id: ARG
order param.comp index id: 19
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.726
order param.order param val fit err: 0.000
order param.resonance id: 0
order param.seq id: 19

50001,16,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 16
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: PHE
order param.auth seq id: 158
order param.comp id: PHE
order param.comp index id: 20
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.736
order param.order param val fit err: 0.005
order param.resonance id: 0
order param.seq id: 20

50001,17,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 17
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ASN
order param.auth seq id: 159
order param.comp id: ASN
order param.comp index id: 21
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.558
order param.order param val fit err: 0.004
order param.resonance id: 0
order param.seq id: 21

50001,18,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 18
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: SER
order param.auth seq id: 160
order param.comp id: SER
order param.comp index id: 22
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.618
order param.order param val fit err: 0.005
order param.resonance id: 0
order param.seq id: 22

50001,19,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 19
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ALA
order param.auth seq id: 161
order param.comp id: ALA
order param.comp index id: 23
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.671
order param.order param val fit err: 0.004
order param.resonance id: 0
order param.seq id: 23

50001,20,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 20
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ASP
order param.auth seq id: 162
order param.comp id: ASP
order param.comp index id: 24
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.682
order param.order param val fit err: 0.001
order param.resonance id: 0
order param.seq id: 24

50001,21,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 21
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: TYR
order param.auth seq id: 163
order param.comp id: TYR
order param.comp index id: 25
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.716
order param.order param val fit err: 0.003
order param.resonance id: 0
order param.seq id: 25

50001,22,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 22
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: LYS
order param.auth seq id: 164
order param.comp id: LYS
order param.comp index id: 26
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.736
order param.order param val fit err: 0.011
order param.resonance id: 0
order param.seq id: 26

50001,23,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 23
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ARG
order param.auth seq id: 167
order param.comp id: ARG
order param.comp index id: 29
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.810
order param.order param val fit err: 0.004
order param.resonance id: 0
order param.seq id: 29

50001,24,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 24
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: LYS
order param.auth seq id: 168
order param.comp id: LYS
order param.comp index id: 30
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.714
order param.order param val fit err: 0.007
order param.resonance id: 0
order param.seq id: 30

50001,25,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 25
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ARG
order param.auth seq id: 169
order param.comp id: ARG
order param.comp index id: 31
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.879
order param.order param val fit err: 0.003
order param.resonance id: 0
order param.seq id: 31

50001,26,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 26
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: LYS
order param.auth seq id: 170
order param.comp id: LYS
order param.comp index id: 32
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.816
order param.order param val fit err: 0.001
order param.resonance id: 0
order param.seq id: 32

50001,27,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 27
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ALA
order param.auth seq id: 171
order param.comp id: ALA
order param.comp index id: 33
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.899
order param.order param val fit err: 0.003
order param.resonance id: 0
order param.seq id: 33

50001,28,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 28
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ASP
order param.auth seq id: 172
order param.comp id: ASP
order param.comp index id: 34
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.797
order param.order param val fit err: 0.005
order param.resonance id: 0
order param.seq id: 34

50001,29,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 29
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: ALA
order param.auth seq id: 173
order param.comp id: ALA
order param.comp index id: 35
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.601
order param.order param val fit err: 0.006
order param.resonance id: 0
order param.seq id: 35

50001,30,1
type: order param
of datablock: info:bmrb/50001
reference to entry: entry
order param.entry id: 50001
order param.id: 30
order param.order parameter list id: 1
order param.assembly atom id: 0
order param.atom id: N
order param.atom isotope number: 15
order param.atom type: N
order param.auth atom id: N
order param.auth comp id: SER
order param.auth seq id: 174
order param.comp id: SER
order param.comp index id: 36
order param.entity assembly id: 1
order param.entity id: 1
order param.order param val: 0.225
order param.order param val fit err: 0.003
order param.resonance id: 0
order param.seq id: 36

50001,19,1
type: order parameter experiment
of datablock: info:bmrb/50001
reference to entry: entry
order parameter experiment.entry id: 50001
order parameter experiment.experiment id: 19
order parameter experiment.order parameter list id: 1
order parameter experiment.experiment name: 2D 1H-15N NOE without saturation
order parameter experiment.sample id: 0
order parameter experiment.sample state: isotropic

50001,20,1
type: order parameter experiment
of datablock: info:bmrb/50001
reference to entry: entry
order parameter experiment.entry id: 50001
order parameter experiment.experiment id: 20
order parameter experiment.order parameter list id: 1
order parameter experiment.experiment name: 2D 1H-15N NOE with saturation
order parameter experiment.sample id: 0
order parameter experiment.sample state: isotropic

50001,21,1
type: order parameter experiment
of datablock: info:bmrb/50001
reference to entry: entry
order parameter experiment.entry id: 50001
order parameter experiment.experiment id: 21
order parameter experiment.order parameter list id: 1
order parameter experiment.experiment name: 3D 1H-15N t1 interleaved
order parameter experiment.sample id: 0
order parameter experiment.sample state: isotropic

50001,22,1
type: order parameter experiment
of datablock: info:bmrb/50001
reference to entry: entry
order parameter experiment.entry id: 50001
order parameter experiment.experiment id: 22
order parameter experiment.order parameter list id: 1
order parameter experiment.experiment name: 3D 1H-15N t2 interleaved
order parameter experiment.sample id: 0
order parameter experiment.sample state: isotropic

50001,1
type: order parameter list
of datablock: info:bmrb/50001
reference to entry: entry
order parameter list.entry id: 50001
order parameter list.id: 1
order parameter list.details: These are the order parameters S2, derived from fitting the relaxation data with ModelFree.
order parameter list.rex field strength: 600.12282197
order parameter list.sample condition list id: 1
order parameter list.sample condition list label: sample_conditions_1
order parameter list.sf category: order_parameters
order parameter list.sf framecode: order_parameter_list_1

50001,1,2
type: order parameter software
of datablock: info:bmrb/50001
reference to entry: entry
order parameter software.entry id: 50001
order parameter software.order parameter list id: 1
order parameter software.software id: 2
order parameter software.method id: 0
order parameter software.software label: software_2

50001,1,4
type: order parameter software
of datablock: info:bmrb/50001
reference to entry: entry
order parameter software.entry id: 50001
order parameter software.order parameter list id: 1
order parameter software.software id: 4
order parameter software.method id: 0
order parameter software.software label: software_4

50001,1,5
type: order parameter software
of datablock: info:bmrb/50001
reference to entry: entry
order parameter software.entry id: 50001
order parameter software.order parameter list id: 1
order parameter software.software id: 5
order parameter software.method id: 0
order parameter software.software label: software_5

50001,1,6
type: order parameter software
of datablock: info:bmrb/50001
reference to entry: entry
order parameter software.entry id: 50001
order parameter software.order parameter list id: 1
order parameter software.software id: 6
order parameter software.method id: 0
order parameter software.software label: software_6

27990,BMRB,50001
type: related entries
of datablock: info:bmrb/50001
reference to entry: entry
related entries.database accession code: 27990
related entries.database name: BMRB
related entries.entry id: 50001
related entries.relationship: apo ARR_CleD

info:bmrb/27990

50001,1
type: release
of datablock: info:bmrb/50001
reference to entry: entry
release.entry id: 50001
release.release number: 1
release.author: BMRB
release.date: 2020-09-20Z
release.type: original

50001,1
type: sample
of datablock: info:bmrb/50001
reference to entry: entry
sample.entry id: 50001
sample.id: 1
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: 15N ARR_CleD in complex with c-di-GMP
sample.sf category: sample
sample.sf framecode: sample_1
sample.solvent system: 95% H2O/5% D2O
sample.type: solution

50001,2
type: sample
of datablock: info:bmrb/50001
reference to entry: entry
sample.entry id: 50001
sample.id: 2
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: 15N-13C ARR_CleD in complex with c-di-GMP
sample.sf category: sample
sample.sf framecode: sample_2
sample.solvent system: 95% H2O/5% D2O
sample.type: solution

50001,3
type: sample
of datablock: info:bmrb/50001
reference to entry: entry
sample.entry id: 50001
sample.id: 3
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: 15N-13C ARR_CleD in complex with c-di-GMP in Phages
sample.sf category: sample
sample.sf framecode: sample_3
sample.solvent system: 90% H2O/10% D2O
sample.type: solution

50001,1,1
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 1
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: [U-98% 15N]
sample component.mol common name: ARR_CleD

50001,2,1
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 0
sample component.concentration val: 3
sample component.concentration val units: mM
sample component.entity id: 2
sample component.entity label: entity_C2E
sample component.isotopic labeling: natural abundance
sample component.mol common name: C2E

50001,3,1
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium chloride

50001,4,1
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium phosphate

50001,5,1
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 5
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.02
sample component.concentration val units: v/v
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium azide

50001,6,1
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 6
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: magnsesium chloride

50001,7,2
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 7
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 1
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: [U-98% 13C; U-98% 15N]
sample component.mol common name: ARR_CleD

50001,8,2
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 8
sample component.sample id: 2
sample component.assembly id: 0
sample component.concentration val: 3
sample component.concentration val units: mM
sample component.entity id: 2
sample component.entity label: entity_C2E
sample component.isotopic labeling: natural abundance
sample component.mol common name: C2E

50001,9,2
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 9
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium chloride

50001,10,2
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 10
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium phosphate

50001,11,2
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 11
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 0.02
sample component.concentration val units: v/v
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium azide

50001,12,2
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 12
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: magnesium chloride

50001,13,3
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 13
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 0.6
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: [U-99% 13C; U-99% 15N]
sample component.mol common name: ARR_CleD

50001,14,3
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 14
sample component.sample id: 3
sample component.assembly id: 0
sample component.concentration val: 1.8
sample component.concentration val units: mM
sample component.entity id: 2
sample component.entity label: entity_C2E
sample component.isotopic labeling: natural abundance
sample component.mol common name: C2E

50001,15,3
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 15
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 66.66
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium chloride

50001,16,3
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 16
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 13.33
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium phosphate

50001,17,3
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 17
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 1.33
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: mgnesium chloride

50001,18,3
type: sample component
of datablock: info:bmrb/50001
sample component.entry id: 50001
sample component.id: 18
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 9
sample component.concentration val units: mg/mL
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: Pf1 phage

50001,1
type: sample condition list
of datablock: info:bmrb/50001
reference to entry: entry
sample condition list.entry id: 50001
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

50001,2
type: sample condition list
of datablock: info:bmrb/50001
reference to entry: entry
sample condition list.entry id: 50001
sample condition list.id: 2
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_2

50001,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 0.47
sample condition variable.val units: M

50001,1,pH
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 6.5
sample condition variable.val err: 0.04
sample condition variable.val units: pH

50001,1,pressure
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

50001,1,temperature
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

50001,2,ionic strength
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 2
sample condition variable.type: ionic strength
sample condition variable.val: 0.31
sample condition variable.val units: M

50001,2,pH
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 2
sample condition variable.type: pH
sample condition variable.val: 6.5
sample condition variable.val err: 0.04
sample condition variable.val units: pH

50001,2,pressure
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 2
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

50001,2,temperature
type: sample condition variable
of datablock: info:bmrb/50001
sample condition variable.entry id: 50001
sample condition variable.sample condition list id: 2
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

50001,1
type: software
of datablock: info:bmrb/50001
reference to entry: entry
software.entry id: 50001
software.id: 1
software.name: SPARKY
software.sf category: software
software.sf framecode: software_1

50001,2
type: software
of datablock: info:bmrb/50001
reference to entry: entry
software.entry id: 50001
software.id: 2
software.name: xwinnmr
software.sf category: software
software.sf framecode: software_2

50001,3
type: software
of datablock: info:bmrb/50001
reference to entry: entry
software.entry id: 50001
software.id: 3
software.name: NMRPipe
software.sf category: software
software.sf framecode: software_3

50001,4
type: software
of datablock: info:bmrb/50001
reference to entry: entry
software.entry id: 50001
software.id: 4
software.details: Software written for MATLAB in order to fit relaxation data.
software.name: MATLAB
software.sf category: software
software.sf framecode: software_4

50001,5
type: software
of datablock: info:bmrb/50001
reference to entry: entry
software.entry id: 50001
software.id: 5
software.name: ModelFree
software.sf category: software
software.sf framecode: software_5

50001,6
type: software
of datablock: info:bmrb/50001
reference to entry: entry
software.entry id: 50001
software.id: 6
software.name: PIPP
software.sf category: software
software.sf framecode: software_6

50001,1,1
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 1
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ARG
t1.auth seq id: 142
t1.comp id: ARG
t1.comp index id: 4
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 4
t1.val: 0.620501
t1.val err: 0.00365771

50001,1,2
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 2
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: GLU
t1.auth seq id: 143
t1.comp id: GLU
t1.comp index id: 5
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 5
t1.val: 0.548607
t1.val err: 0.00475531

50001,1,3
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 3
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: TRP
t1.auth seq id: 144
t1.comp id: TRP
t1.comp index id: 6
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 6
t1.val: 0.529633
t1.val err: 0.00266486

50001,1,4
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 4
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: VAL
t1.auth seq id: 145
t1.comp id: VAL
t1.comp index id: 7
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 7
t1.val: 0.502892
t1.val err: 0.0162868

50001,1,5
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 5
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: GLU
t1.auth seq id: 146
t1.comp id: GLU
t1.comp index id: 8
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 8
t1.val: 0.508001
t1.val err: 0.00606453

50001,1,6
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 6
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ALA
t1.auth seq id: 147
t1.comp id: ALA
t1.comp index id: 9
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 9
t1.val: 0.524411
t1.val err: 0.000110003

50001,1,7
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 7
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: VAL
t1.auth seq id: 148
t1.comp id: VAL
t1.comp index id: 10
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 10
t1.val: 0.553159
t1.val err: 0.0018665

50001,1,8
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 8
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ALA
t1.auth seq id: 149
t1.comp id: ALA
t1.comp index id: 11
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 11
t1.val: 0.517197
t1.val err: 0.00545685

50001,1,9
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 9
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: TYR
t1.auth seq id: 150
t1.comp id: TYR
t1.comp index id: 12
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 12
t1.val: 0.509918
t1.val err: 0.00977661

50001,1,10
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 10
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: VAL
t1.auth seq id: 151
t1.comp id: VAL
t1.comp index id: 13
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 13
t1.val: 0.4705
t1.val err: 0.00418389

50001,1,11
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 11
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: GLY
t1.auth seq id: 152
t1.comp id: GLY
t1.comp index id: 14
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 14
t1.val: 0.452223
t1.val err: 0.00525579

50001,1,12
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 12
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ASP
t1.auth seq id: 154
t1.comp id: ASP
t1.comp index id: 16
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 16
t1.val: 0.451162
t1.val err: 0.00111951

50001,1,13
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 13
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ARG
t1.auth seq id: 155
t1.comp id: ARG
t1.comp index id: 17
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 17
t1.val: 0.43712
t1.val err: 0.000401256

50001,1,14
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 14
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ARG
t1.auth seq id: 156
t1.comp id: ARG
t1.comp index id: 18
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 18
t1.val: 0.428578
t1.val err: 0.00332458

50001,1,15
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 15
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ARG
t1.auth seq id: 157
t1.comp id: ARG
t1.comp index id: 19
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 19
t1.val: 0.482323
t1.val err: 0.0069558

50001,1,16
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 16
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: PHE
t1.auth seq id: 158
t1.comp id: PHE
t1.comp index id: 20
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 20
t1.val: 0.48033
t1.val err: 0.00643701

50001,1,17
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 17
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ASN
t1.auth seq id: 159
t1.comp id: ASN
t1.comp index id: 21
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 21
t1.val: 0.530617
t1.val err: 0.020103

50001,1,18
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 18
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: SER
t1.auth seq id: 160
t1.comp id: SER
t1.comp index id: 22
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 22
t1.val: 0.564972
t1.val err: 0.0112994

50001,1,19
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 19
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ALA
t1.auth seq id: 161
t1.comp id: ALA
t1.comp index id: 23
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 23
t1.val: 0.526343
t1.val err: 0.00246563

50001,1,20
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 20
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ASP
t1.auth seq id: 162
t1.comp id: ASP
t1.comp index id: 24
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 24
t1.val: 0.519642
t1.val err: 0.000891093

50001,1,21
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 21
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: TYR
t1.auth seq id: 163
t1.comp id: TYR
t1.comp index id: 25
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 25
t1.val: 0.510308
t1.val err: 0.00218748

50001,1,22
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 22
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: LYS
t1.auth seq id: 164
t1.comp id: LYS
t1.comp index id: 26
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 26
t1.val: 0.484332
t1.val err: 0.00823367

50001,1,23
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 23
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ARG
t1.auth seq id: 167
t1.comp id: ARG
t1.comp index id: 29
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 29
t1.val: 0.461766
t1.val err: 0.00183376

50001,1,24
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 24
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: LYS
t1.auth seq id: 168
t1.comp id: LYS
t1.comp index id: 30
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 30
t1.val: 0.475986
t1.val err: 0.00928909

50001,1,25
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 25
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ARG
t1.auth seq id: 169
t1.comp id: ARG
t1.comp index id: 31
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 31
t1.val: 0.437292
t1.val err: 0.00108998

50001,1,26
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 26
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: LYS
t1.auth seq id: 170
t1.comp id: LYS
t1.comp index id: 32
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 32
t1.val: 0.448209
t1.val err: 0.00395757

50001,1,27
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 27
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ALA
t1.auth seq id: 171
t1.comp id: ALA
t1.comp index id: 33
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 33
t1.val: 0.441462
t1.val err: 0.00304027

50001,1,28
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 28
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ASP
t1.auth seq id: 172
t1.comp id: ASP
t1.comp index id: 34
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 34
t1.val: 0.448189
t1.val err: 0.0054035

50001,1,29
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 29
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: ALA
t1.auth seq id: 173
t1.comp id: ALA
t1.comp index id: 35
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 35
t1.val: 0.51164
t1.val err: 0.00607319

50001,1,30
type: t1
of datablock: info:bmrb/50001
reference to entry: entry
t1.entry id: 50001
t1.heteronucl t1 list id: 1
t1.id: 30
t1.assembly atom id: 0
t1.atom id: N
t1.atom isotope number: 15
t1.atom type: N
t1.auth atom id: N
t1.auth comp id: SER
t1.auth seq id: 174
t1.comp id: SER
t1.comp index id: 36
t1.entity assembly id: 1
t1.entity id: 1
t1.resonance id: 0
t1.seq id: 36
t1.val: 1.07666
t1.val err: 0.0300231

50001,1,1
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 1
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ARG
t2.auth seq id: 142
t2.comp id: ARG
t2.comp index id: 4
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 4
t2.t2 val: 0.310164
t2.t2 val err: 0.00154885

50001,1,2
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 2
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: GLU
t2.auth seq id: 143
t2.comp id: GLU
t2.comp index id: 5
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 5
t2.t2 val: 0.225657
t2.t2 val err: 0.00109481

50001,1,3
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 3
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: TRP
t2.auth seq id: 144
t2.comp id: TRP
t2.comp index id: 6
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 6
t2.t2 val: 0.171662
t2.t2 val err: 0.000727856

50001,1,4
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 4
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: VAL
t2.auth seq id: 145
t2.comp id: VAL
t2.comp index id: 7
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 7
t2.t2 val: 0.0405536
t2.t2 val err: 0.00109908

50001,1,5
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 5
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: GLU
t2.auth seq id: 146
t2.comp id: GLU
t2.comp index id: 8
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 8
t2.t2 val: 0.250828
t2.t2 val err: 0.000578814

50001,1,6
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 6
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ALA
t2.auth seq id: 147
t2.comp id: ALA
t2.comp index id: 9
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 9
t2.t2 val: 0.120953
t2.t2 val err: 0.000580793

50001,1,7
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 7
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: VAL
t2.auth seq id: 148
t2.comp id: VAL
t2.comp index id: 10
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 10
t2.t2 val: 0.195145
t2.t2 val err: 0.000959654

50001,1,8
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 8
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ALA
t2.auth seq id: 149
t2.comp id: ALA
t2.comp index id: 11
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 11
t2.t2 val: 0.0194535
t2.t2 val err: 0.0024827

50001,1,9
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 9
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: TYR
t2.auth seq id: 150
t2.comp id: TYR
t2.comp index id: 12
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 12
t2.t2 val: 0.115855
t2.t2 val err: 0.00408173

50001,1,10
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 10
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: VAL
t2.auth seq id: 151
t2.comp id: VAL
t2.comp index id: 13
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 13
t2.t2 val: 0.158428
t2.t2 val err: 0.00239952

50001,1,11
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 11
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: GLY
t2.auth seq id: 152
t2.comp id: GLY
t2.comp index id: 14
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 14
t2.t2 val: 0.0733622
t2.t2 val err: 0.00926459

50001,1,12
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 12
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ASP
t2.auth seq id: 154
t2.comp id: ASP
t2.comp index id: 16
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 16
t2.t2 val: 0.176863
t2.t2 val err: 0.00205825

50001,1,13
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 13
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ARG
t2.auth seq id: 155
t2.comp id: ARG
t2.comp index id: 17
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 17
t2.t2 val: 0.195741
t2.t2 val err: 0.00176629

50001,1,14
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 14
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ARG
t2.auth seq id: 156
t2.comp id: ARG
t2.comp index id: 18
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 18
t2.t2 val: 0.179337
t2.t2 val err: 0.00155984

50001,1,15
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 15
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ARG
t2.auth seq id: 157
t2.comp id: ARG
t2.comp index id: 19
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 19
t2.t2 val: 0.218972
t2.t2 val err: 0.000129461

50001,1,16
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 16
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: PHE
t2.auth seq id: 158
t2.comp id: PHE
t2.comp index id: 20
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 20
t2.t2 val: 0.203401
t2.t2 val err: 0.00143561

50001,1,17
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 17
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ASN
t2.auth seq id: 159
t2.comp id: ASN
t2.comp index id: 21
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 21
t2.t2 val: 0.244481
t2.t2 val err: 0.00182899

50001,1,18
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 18
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: SER
t2.auth seq id: 160
t2.comp id: SER
t2.comp index id: 22
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 22
t2.t2 val: 0.243191
t2.t2 val err: 0.00238341

50001,1,19
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 19
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ALA
t2.auth seq id: 161
t2.comp id: ALA
t2.comp index id: 23
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 23
t2.t2 val: 0.245652
t2.t2 val err: 0.00333104

50001,1,20
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 20
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ASP
t2.auth seq id: 162
t2.comp id: ASP
t2.comp index id: 24
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 24
t2.t2 val: 0.246021
t2.t2 val err: 0.00415815

50001,1,21
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 21
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: TYR
t2.auth seq id: 163
t2.comp id: TYR
t2.comp index id: 25
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 25
t2.t2 val: 0.218245
t2.t2 val err: 0.00214816

50001,1,22
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 22
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: LYS
t2.auth seq id: 164
t2.comp id: LYS
t2.comp index id: 26
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 26
t2.t2 val: 0.224215
t2.t2 val err: 0.00591204

50001,1,23
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 23
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ARG
t2.auth seq id: 167
t2.comp id: ARG
t2.comp index id: 29
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 29
t2.t2 val: 0.186352
t2.t2 val err: 0.00413598

50001,1,24
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 24
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: LYS
t2.auth seq id: 168
t2.comp id: LYS
t2.comp index id: 30
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 30
t2.t2 val: 0.220497
t2.t2 val err: 0.00246013

50001,1,25
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 25
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ARG
t2.auth seq id: 169
t2.comp id: ARG
t2.comp index id: 31
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 31
t2.t2 val: 0.158316
t2.t2 val err: 0.00147375

50001,1,26
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 26
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: LYS
t2.auth seq id: 170
t2.comp id: LYS
t2.comp index id: 32
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 32
t2.t2 val: 0.181769
t2.t2 val err: 0.000254407

50001,1,27
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 27
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ALA
t2.auth seq id: 171
t2.comp id: ALA
t2.comp index id: 33
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 33
t2.t2 val: 0.170753
t2.t2 val err: 0.000769737

50001,1,28
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 28
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ASP
t2.auth seq id: 172
t2.comp id: ASP
t2.comp index id: 34
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 34
t2.t2 val: 0.202996
t2.t2 val err: 0.00152468

50001,1,29
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 29
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: ALA
t2.auth seq id: 173
t2.comp id: ALA
t2.comp index id: 35
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 35
t2.t2 val: 0.266134
t2.t2 val err: 0.00405842

50001,1,30
type: t2
of datablock: info:bmrb/50001
reference to entry: entry
t2.entry id: 50001
t2.heteronucl t2 list id: 1
t2.id: 30
t2.assembly atom id: 0
t2.atom id: N
t2.atom isotope number: 15
t2.atom type: N
t2.auth atom id: N
t2.auth comp id: SER
t2.auth seq id: 174
t2.comp id: SER
t2.comp index id: 36
t2.entity assembly id: 1
t2.entity id: 1
t2.resonance id: 0
t2.seq id: 36
t2.t2 val: 0.507228
t2.t2 val err: 0.0103427

50001,2,recording of spectra
type: task
of datablock: info:bmrb/50001
task.entry id: 50001
task.software id: 2
task.task: recording of spectra

50001,4,fit of relaxation data
type: task
of datablock: info:bmrb/50001
task.entry id: 50001
task.software id: 4
task.task: fit of relaxation data

50001,5,aanalyze the relaxation data and fits them to different models
type: task
of datablock: info:bmrb/50001
task.entry id: 50001
task.software id: 5
task.task: aanalyze the relaxation data and fits them to different models

50001,1,chemical shift assignment
type: task
of datablock: info:bmrb/50001
task.entry id: 50001
task.software id: 1
task.task: chemical shift assignment

50001,6,peak picking
type: task
of datablock: info:bmrb/50001
task.entry id: 50001
task.software id: 6
task.task: peak picking

50001,3,processing
type: task
of datablock: info:bmrb/50001
task.entry id: 50001
task.software id: 3
task.task: processing

50001,Bruker Biospin,2
type: vendor
of datablock: info:bmrb/50001
vendor.entry id: 50001
vendor.name: Bruker Biospin
vendor.software id: 2

50001,Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax,3
type: vendor
of datablock: info:bmrb/50001
vendor.entry id: 50001
vendor.name: Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
vendor.software id: 3

50001,Goddard,1
type: vendor
of datablock: info:bmrb/50001
vendor.entry id: 50001
vendor.name: Goddard
vendor.software id: 1

50001,Garrett,6
type: vendor
of datablock: info:bmrb/50001
vendor.entry id: 50001
vendor.name: Garrett
vendor.software id: 6

50001,The MathWorks Inc.,4
type: vendor
of datablock: info:bmrb/50001
vendor.entry id: 50001
vendor.name: The MathWorks Inc.
vendor.software id: 4

50001,Palmer III,5
type: vendor
of datablock: info:bmrb/50001
vendor.entry id: 50001
vendor.name: Palmer III
vendor.software id: 5