info:bmrb/21058
type: datablock
references: doi:10.13018/BMR21058
alternative label: bmr21058
title: PapMA
datablock name: 21058
has assembly category: assemblyCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chem shift completeness char category: chem shift completeness charCategory
has chem shift completeness list category: chem shift completeness listCategory
has chem shift experiment category: chem shift experimentCategory
has chem shift ref category: chem shift refCategory
has chem shift reference category: chem shift referenceCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity comp index category: entity comp indexCategory
has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has experiment category: experimentCategory
has experiment list category: experiment listCategory
has nmr spectrometer category: nmr spectrometerCategory
has nmr spectrometer list category: nmr spectrometer listCategory
has nmr spectrometer view category: nmr spectrometer viewCategory
has related entries category: related entriesCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample component category: sample componentCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory
has sg project category: sg projectCategory
has software category: softwareCategory
has struct keywords category: struct keywordsCategory
has task category: taskCategory
has vendor category: vendorCategory

21058,1
type: assembly
of datablock: info:bmrb/21058
reference to entry: entry
assembly.entry id: 21058
assembly.id: 1
assembly.name: Papiliocin(1-8)-MAGAININ 2(4-12) HYBRID PEPTIDE ANALOGUE
assembly.number of components: 1
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly

21058,1
type: assigned chem shift list
of datablock: info:bmrb/21058
reference to entry: entry
assigned chem shift list.entry id: 21058
assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chemical_shift_reference_1
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_conditions_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: assigned_chem_shift_list_1

1,21058,1
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 1
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.967
atom chem shift.val err: 0.003

1,21058,2
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 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: TRP
atom chem shift.auth seq id: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 3.514
atom chem shift.val err: 0.004

1,21058,3
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 3
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 3.456
atom chem shift.val err: 0.003

1,21058,4
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 4
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 7.552
atom chem shift.val err: 0.001

1,21058,5
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 5
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 10.855
atom chem shift.val err: 0.001

1,21058,6
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 6
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 7.652
atom chem shift.val err: 0.000

1,21058,7
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 7
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 7.239
atom chem shift.val err: 0.004

1,21058,8
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 8
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 7.609
atom chem shift.val err: 0.002

1,21058,9
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 9
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: 2
atom chem shift.comp id: TRP
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 7.106
atom chem shift.val err: 0.002

1,21058,10
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 10
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 9.094
atom chem shift.val err: 0.002

1,21058,11
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 11
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 4.369
atom chem shift.val err: 0.002

1,21058,12
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 12
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 2.046
atom chem shift.val err: 0.003

1,21058,13
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 13
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 2.046
atom chem shift.val err: 0.003

1,21058,14
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 14
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 1.911
atom chem shift.val err: 0.009

1,21058,15
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 15
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 1.911
atom chem shift.val err: 0.009

1,21058,16
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 16
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: LYS
atom chem shift.auth seq id: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 3.205
atom chem shift.val err: 0.000

1,21058,17
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 17
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 3.205
atom chem shift.val err: 0.000

1,21058,18
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 18
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 1.616
atom chem shift.val err: 0.005

1,21058,19
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 19
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: 3
atom chem shift.comp id: LYS
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 1.616
atom chem shift.val err: 0.005

1,21058,20
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 20
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 8.283
atom chem shift.val err: 0.002

1,21058,21
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 21
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: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 4.118
atom chem shift.val err: 0.003

1,21058,22
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 22
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: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 1.924
atom chem shift.val err: 0.002

1,21058,23
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 23
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.793
atom chem shift.val err: 0.002

1,21058,24
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 24
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.793
atom chem shift.val err: 0.002

1,21058,25
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 25
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.793
atom chem shift.val err: 0.002

1,21058,26
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 26
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: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 1.45
atom chem shift.val err: 0.003

1,21058,27
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 27
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: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 1.253
atom chem shift.val err: 0.003

1,21058,28
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 28
atom chem shift.ambiguity code: 1
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: MG
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.98
atom chem shift.val err: 0.002

1,21058,29
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 29
atom chem shift.ambiguity code: 1
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: MG
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.98
atom chem shift.val err: 0.002

1,21058,30
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 30
atom chem shift.ambiguity code: 1
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: MG
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.98
atom chem shift.val err: 0.002

1,21058,31
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 31
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: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.859
atom chem shift.val err: 0.002

1,21058,32
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 32
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: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 4.617
atom chem shift.val err: 0.003

1,21058,33
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 33
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: PHE
atom chem shift.auth seq id: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 3.467
atom chem shift.val err: 0.003

1,21058,34
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 34
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: PHE
atom chem shift.auth seq id: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 3.327
atom chem shift.val err: 0.003

1,21058,35
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 35
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: PHE
atom chem shift.auth seq id: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.519
atom chem shift.val err: 0.004

1,21058,36
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 36
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: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.519
atom chem shift.val err: 0.004

1,21058,37
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 37
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: PHE
atom chem shift.auth seq id: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.433
atom chem shift.val err: 0.003

1,21058,38
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 38
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: PHE
atom chem shift.auth seq id: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.433
atom chem shift.val err: 0.003

1,21058,39
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 39
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HZ
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 5
atom chem shift.comp id: PHE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.302
atom chem shift.val err: 0.001

1,21058,40
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 40
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 8.174
atom chem shift.val err: 0.003

1,21058,41
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 41
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 4.358
atom chem shift.val err: 0.002

1,21058,42
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 42
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 2.108
atom chem shift.val err: 0.000

1,21058,43
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 43
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 2.108
atom chem shift.val err: 0.000

1,21058,44
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 44
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 1.936
atom chem shift.val err: 0.001

1,21058,45
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 45
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 1.936
atom chem shift.val err: 0.001

1,21058,46
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 46
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: LYS
atom chem shift.auth seq id: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 3.192
atom chem shift.val err: 0.000

1,21058,47
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 47
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 3.192
atom chem shift.val err: 0.000

1,21058,48
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 48
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 1.77
atom chem shift.val err: 0.005

1,21058,49
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 49
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: 6
atom chem shift.comp id: LYS
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 1.696
atom chem shift.val err: 0.007

1,21058,50
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 50
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 7.956
atom chem shift.val err: 0.003

1,21058,51
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 51
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 4.521
atom chem shift.val err: 0.002

1,21058,52
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 52
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 2.05
atom chem shift.val err: 0.001

1,21058,53
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 53
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 2.05
atom chem shift.val err: 0.001

1,21058,54
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 54
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 1.859
atom chem shift.val err: 0.001

1,21058,55
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 55
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 1.859
atom chem shift.val err: 0.001

1,21058,56
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 56
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: LYS
atom chem shift.auth seq id: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 3.139
atom chem shift.val err: 0.000

1,21058,57
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 57
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 3.139
atom chem shift.val err: 0.000

1,21058,58
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 58
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 1.635
atom chem shift.val err: 0.003

1,21058,59
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 59
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: 7
atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 1.635
atom chem shift.val err: 0.003

1,21058,60
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 60
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 7.949
atom chem shift.val err: 0.003

1,21058,61
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 61
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: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 4.207
atom chem shift.val err: 0.002

1,21058,62
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 62
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: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 2.289
atom chem shift.val err: 0.001

1,21058,63
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 63
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 1.121
atom chem shift.val err: 0.006

1,21058,64
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 64
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 1.121
atom chem shift.val err: 0.006

1,21058,65
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 65
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 1.121
atom chem shift.val err: 0.006

1,21058,66
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 66
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: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 2.027
atom chem shift.val err: 0.006

1,21058,67
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 67
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: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 1.848
atom chem shift.val err: 0.003

1,21058,68
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 68
atom chem shift.ambiguity code: 1
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: MG
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 1.396
atom chem shift.val err: 0.004

1,21058,69
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 69
atom chem shift.ambiguity code: 1
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: MG
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 1.396
atom chem shift.val err: 0.004

1,21058,70
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
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: MG
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 1.396
atom chem shift.val err: 0.004

1,21058,71
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 71
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: 9
atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 4.435
atom chem shift.val err: 0.003

1,21058,72
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 72
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: 9
atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 2.562
atom chem shift.val err: 0.002

1,21058,73
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 73
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: 9
atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 2.285
atom chem shift.val err: 0.002

1,21058,74
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 74
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: 9
atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 3.971
atom chem shift.val err: 0.002

1,21058,75
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 75
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: 9
atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 3.819
atom chem shift.val err: 0.003

1,21058,76
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 76
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: 9
atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 2.054
atom chem shift.val err: 0.002

1,21058,77
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 77
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: 9
atom chem shift.comp id: PRO
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 2.054
atom chem shift.val err: 0.002

1,21058,78
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 78
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 8.008
atom chem shift.val err: 0.001

1,21058,79
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 79
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 4.22
atom chem shift.val err: 0.003

1,21058,80
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 80
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 2.056
atom chem shift.val err: 0.002

1,21058,81
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 81
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 2.056
atom chem shift.val err: 0.002

1,21058,82
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 82
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 1.686
atom chem shift.val err: 0.000

1,21058,83
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 83
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 1.686
atom chem shift.val err: 0.000

1,21058,84
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 84
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: LYS
atom chem shift.auth seq id: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 3.153
atom chem shift.val err: 0.000

1,21058,85
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 85
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 3.153
atom chem shift.val err: 0.000

1,21058,86
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 86
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 1.608
atom chem shift.val err: 0.002

1,21058,87
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 87
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: 10
atom chem shift.comp id: LYS
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 1.608
atom chem shift.val err: 0.002

1,21058,88
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 88
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 8.279
atom chem shift.val err: 0.002

1,21058,89
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 89
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: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 4.669
atom chem shift.val err: 0.002

1,21058,90
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 90
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: PHE
atom chem shift.auth seq id: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 3.405
atom chem shift.val err: 0.002

1,21058,91
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 91
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: PHE
atom chem shift.auth seq id: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 3.405
atom chem shift.val err: 0.002

1,21058,92
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 92
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: PHE
atom chem shift.auth seq id: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.433
atom chem shift.val err: 0.002

1,21058,93
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 93
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: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.433
atom chem shift.val err: 0.002

1,21058,94
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 94
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: PHE
atom chem shift.auth seq id: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.392
atom chem shift.val err: 0.001

1,21058,95
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 95
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: PHE
atom chem shift.auth seq id: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.392
atom chem shift.val err: 0.001

1,21058,96
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 96
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HZ
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 11
atom chem shift.comp id: PHE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.303
atom chem shift.val err: 0.000

1,21058,97
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 97
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 8.129
atom chem shift.val err: 0.003

1,21058,98
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 98
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: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 4.217
atom chem shift.val err: 0.002

1,21058,99
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 99
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: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.863
atom chem shift.val err: 0.005

1,21058,100
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 100
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: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.863
atom chem shift.val err: 0.005

1,21058,101
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 101
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD1
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.049
atom chem shift.val err: 0.004

1,21058,102
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 102
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD1
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.049
atom chem shift.val err: 0.004

1,21058,103
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 103
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD1
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.049
atom chem shift.val err: 0.004

1,21058,104
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 104
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD2
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.049
atom chem shift.val err: 0.004

1,21058,105
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 105
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD2
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.049
atom chem shift.val err: 0.004

1,21058,106
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 106
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: MD2
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.049
atom chem shift.val err: 0.004

1,21058,107
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 107
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 1.677
atom chem shift.val err: 0.005

1,21058,108
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 108
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 13
atom chem shift.comp id: HIS
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 8.204
atom chem shift.val err: 0.002

1,21058,109
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 109
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: HIS
atom chem shift.auth seq id: 13
atom chem shift.comp id: HIS
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 4.611
atom chem shift.val err: 0.002

1,21058,110
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 110
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: HIS
atom chem shift.auth seq id: 13
atom chem shift.comp id: HIS
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 3.476
atom chem shift.val err: 0.003

1,21058,111
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 111
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: HIS
atom chem shift.auth seq id: 13
atom chem shift.comp id: HIS
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 3.476
atom chem shift.val err: 0.003

1,21058,112
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 112
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: HIS
atom chem shift.auth seq id: 13
atom chem shift.comp id: HIS
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 7.364
atom chem shift.val err: 0.001

1,21058,113
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 113
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: HIS
atom chem shift.auth seq id: 13
atom chem shift.comp id: HIS
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 8.476
atom chem shift.val err: 0.001

1,21058,114
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 114
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 14
atom chem shift.comp id: SER
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 8.169
atom chem shift.val err: 0.002

1,21058,115
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 115
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: 14
atom chem shift.comp id: SER
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 4.502
atom chem shift.val err: 0.002

1,21058,116
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 116
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: 14
atom chem shift.comp id: SER
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 4.147
atom chem shift.val err: 0.004

1,21058,117
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 117
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: 14
atom chem shift.comp id: SER
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 4.096
atom chem shift.val err: 0.003

1,21058,118
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 118
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 15
atom chem shift.comp id: ALA
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 8.257
atom chem shift.val err: 0.004

1,21058,119
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 119
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: 15
atom chem shift.comp id: ALA
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 4.305
atom chem shift.val err: 0.001

1,21058,120
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 120
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: MB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 15
atom chem shift.comp id: ALA
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 1.548
atom chem shift.val err: 0.002

1,21058,121
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 121
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: MB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 15
atom chem shift.comp id: ALA
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 1.548
atom chem shift.val err: 0.002

1,21058,122
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 122
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: MB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 15
atom chem shift.comp id: ALA
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 1.548
atom chem shift.val err: 0.002

1,21058,123
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 123
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 8.055
atom chem shift.val err: 0.002

1,21058,124
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 124
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 4.244
atom chem shift.val err: 0.003

1,21058,125
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 125
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 1.997
atom chem shift.val err: 0.005

1,21058,126
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 126
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 1.997
atom chem shift.val err: 0.005

1,21058,127
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 127
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 1.853
atom chem shift.val err: 0.001

1,21058,128
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 128
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 1.853
atom chem shift.val err: 0.001

1,21058,129
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 129
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: LYS
atom chem shift.auth seq id: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 3.119
atom chem shift.val err: 0.000

1,21058,130
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 130
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 3.119
atom chem shift.val err: 0.000

1,21058,131
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 131
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 1.658
atom chem shift.val err: 0.004

1,21058,132
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 132
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: 16
atom chem shift.comp id: LYS
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 1.658
atom chem shift.val err: 0.004

1,21058,133
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 133
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 7.938
atom chem shift.val err: 0.002

1,21058,134
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 134
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 4.302
atom chem shift.val err: 0.003

1,21058,135
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 135
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.852
atom chem shift.val err: 0.002

1,21058,136
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 136
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.852
atom chem shift.val err: 0.002

1,21058,137
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 137
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.756
atom chem shift.val err: 0.005

1,21058,138
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 138
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.756
atom chem shift.val err: 0.005

1,21058,139
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 139
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: LYS
atom chem shift.auth seq id: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 3.057
atom chem shift.val err: 0.000

1,21058,140
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 140
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 3.057
atom chem shift.val err: 0.000

1,21058,141
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 141
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.402
atom chem shift.val err: 0.001

1,21058,142
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 142
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: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.402
atom chem shift.val err: 0.001

1,21058,143
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 143
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 8.031
atom chem shift.val err: 0.001

1,21058,144
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 144
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: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 4.658
atom chem shift.val err: 0.002

1,21058,145
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 145
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: PHE
atom chem shift.auth seq id: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 3.415
atom chem shift.val err: 0.002

1,21058,146
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 146
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: PHE
atom chem shift.auth seq id: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 3.212
atom chem shift.val err: 0.003

1,21058,147
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 147
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: PHE
atom chem shift.auth seq id: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 7.475
atom chem shift.val err: 0.000

1,21058,148
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 148
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: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 7.5
atom chem shift.val err: 0.004

1,21058,149
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 149
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: PHE
atom chem shift.auth seq id: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 7.254
atom chem shift.val err: 0.003

1,21058,150
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 150
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: PHE
atom chem shift.auth seq id: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 7.254
atom chem shift.val err: 0.003

1,21058,151
type: atom chem shift
of datablock: info:bmrb/21058
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 21058
atom chem shift.id: 151
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HZ
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 18
atom chem shift.comp id: PHE
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 7.418
atom chem shift.val err: 0.000

21058,NH2
type: chem comp
of datablock: info:bmrb/21058
reference to entry: entry
chem comp.entry id: 21058
chem comp.id: NH2
chem comp.ambiguous flag: yes
chem comp.aromatic: no
chem comp.formal charge: 0
chem comp.formula: H2 N
chem comp.formula weight: 16.023
chem comp.ideal coordinates details: OpenEye OEToolkits
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1/H3N/h1H3
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates db code: 2FLY
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: AMINO GROUP
chem comp.number atoms all: 3
chem comp.number atoms nh: 1
chem comp.pdb code: NH2
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_NH2
chem comp.three letter code: NH2
chem comp.type: NON-POLYMER

info:pdb-ccd/NH2

pdb-ccd:NH2

info:pdb.ligand/NH2

pdb.ligand:NH2

N,NH2,21058
type: chem comp atom
of datablock: info:bmrb/21058
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: NH2
chem comp atom.entry id: 21058
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.091
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 8.978
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: -7.810
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

HN1,NH2,21058
type: chem comp atom
of datablock: info:bmrb/21058
reference to entry: entry
chem comp atom.atom id: HN1
chem comp atom.comp id: NH2
chem comp atom.entry id: 21058
chem comp atom.align: 1
chem comp atom.alt atom id: 1HN
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: 9.517
chem comp atom.model cartn x ideal: -0.385
chem comp atom.model cartn y: 8.769
chem comp atom.model cartn y ideal: -0.545
chem comp atom.model cartn z: -7.044
chem comp atom.model cartn z ideal: -0.771
chem comp atom.pdb atom id: HN1
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN2,NH2,21058
type: chem comp atom
of datablock: info:bmrb/21058
reference to entry: entry
chem comp atom.atom id: HN2
chem comp atom.comp id: NH2
chem comp atom.entry id: 21058
chem comp atom.align: 1
chem comp atom.alt atom id: 2HN
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.323
chem comp atom.model cartn x ideal: 1.020
chem comp atom.model cartn y: 9.890
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: -8.082
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: HN2
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: H

NH2,21058,1
type: chem comp bond
of datablock: info:bmrb/21058
chem comp bond.comp id: NH2
chem comp bond.entry id: 21058
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

NH2,21058,2
type: chem comp bond
of datablock: info:bmrb/21058
chem comp bond.comp id: NH2
chem comp bond.entry id: 21058
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN2
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr21058/chem_comp_descriptor/NH2,InChI%3D1%2FH3N%2Fh1H3,21058,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/21058
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: InChI=1/H3N/h1H3
chem comp descriptor.entry id: 21058
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

NH2,N,21058,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/21058
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: N
chem comp descriptor.entry id: 21058
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

NH2,QGZKDVFQNNGYKY-UHFFFAOYAF,21058,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/21058
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: QGZKDVFQNNGYKY-UHFFFAOYAF
chem comp descriptor.entry id: 21058
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

NH2,[NH2],21058,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/21058
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 21058
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

NH2,[NH2],21058,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/21058
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 21058
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

NH2,[NH2],21058,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/21058
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 21058
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

NH2,[NH2],21058,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/21058
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 21058
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

NH2,21058,ammonia,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/21058
chem comp identifier.comp id: NH2
chem comp identifier.entry id: 21058
chem comp identifier.identifier: ammonia
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

NH2,21058,l {2}-azane,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/21058
chem comp identifier.comp id: NH2
chem comp identifier.entry id: 21058
chem comp identifier.identifier: l^{2}-azane
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,21058,1
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,2
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,3
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ARG
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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 210580301

1,21058,4
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 4
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.900
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,5
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,6
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,7
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 7
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: PHE
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,8
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.100
chem shift completeness char.comp id: LYS
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 1h coverage: 0.125
chem shift completeness char.sc chem shift coverage: 0.125
chem shift completeness char.sf id: 210580301

1,21058,9
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,10
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ILE
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.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,11
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,12
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,13
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 13
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: PHE
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,14
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,15
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 15
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: HIS
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,16
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,17
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 17
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058,18
type: chem shift completeness char
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 21058
chem shift completeness char.id: 18
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: PHE
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 210580301

1,21058
type: chem shift completeness list
of datablock: info:bmrb/21058
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 21058
chem shift completeness list.arom chem shift 1h fraction: 23/23
chem shift completeness list.arom chem shift fraction: 23/23
chem shift completeness list.assigned residue coverage: 0.895
chem shift completeness list.bb chem shift 1h fraction: 30/35
chem shift completeness list.bb chem shift fraction: 30/35
chem shift completeness list.chem shift 1h fraction: 128/147
chem shift completeness list.chem shift fraction: 128/147
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr21058_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 1h fraction: 7/7
chem shift completeness list.methyl chem shift fraction: 7/7
chem shift completeness list.output file name: bmr21058_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 1h fraction: 98/112
chem shift completeness list.sc chem shift fraction: 98/112
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: 210580301

1,21058,1
type: chem shift experiment
of datablock: info:bmrb/21058
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 21058
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 2D 1H-1H NOESY
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,21058,2
type: chem shift experiment
of datablock: info:bmrb/21058
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 21058
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 2D 1H-1H TOCSY
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,21058,3
type: chem shift experiment
of datablock: info:bmrb/21058
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 21058
chem shift experiment.experiment id: 3
chem shift experiment.experiment name: 2D DQF-COSY
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,H,1,21058,DSS
type: chem shift ref
of datablock: info:bmrb/21058
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: 21058
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.000000
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

21058,1
type: chem shift reference
of datablock: info:bmrb/21058
reference to entry: entry
chem shift reference.entry id: 21058
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference_1

21058,1
type: citation
of datablock: info:bmrb/21058
reference to entry: entry
citation.entry id: 21058
citation.id: 1
citation.class: entry citation
citation.doi: 10.1021/acs.biochem.5b00392
citation.journal abbrev: Biochemistry
citation.journal issn: 0006-2960
citation.journal issue: 25
citation.journal name full: Biochemistry
citation.journal volume: 54
citation.page first: 3921
citation.page last: 3931
citation.pubmed id: 26053120
citation.sf category: citations
citation.sf framecode: citations
citation.status: published
citation.title: Peptoid-Substituted Hybrid Antimicrobial Peptide Derived from Papiliocin and Magainin 2 with Enhanced Bacterial Selectivity and Anti-inflammatory Activity.
citation.type: journal
citation.year: 2015

info:doi/10.1021/acs.biochem.5b00392

doi:10.1021/acs.biochem.5b00392

urn:ISSN:0006-2960

issn:0006-2960

info:pmid/26053120

pubmed:26053120

1,21058,1
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 1
citation author.family name: Shin
citation author.given name: Areum
citation author.pdbx name: Shin, A.

1,21058,2
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 2
citation author.family name: Lee
citation author.given name: Eunjung
citation author.pdbx name: Lee, E.

1,21058,3
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 3
citation author.family name: Jeon
citation author.given name: Dasom
citation author.pdbx name: Jeon, D.

1,21058,4
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 4
citation author.family name: Park
citation author.given name: Young-Guen
citation author.pdbx name: Park, Y.

1,21058,5
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 5
citation author.family name: Bang
citation author.given name: Jeong Kyu
citation author.pdbx name: Bang, J.

1,21058,6
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 6
citation author.family name: Park
citation author.given name: Yong-Sun
citation author.pdbx name: Park, Y.

1,21058,7
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 7
citation author.family name: Shin
citation author.given name: Song Yub
citation author.pdbx name: Shin, S.

1,21058,8
type: citation author
of datablock: info:bmrb/21058
citation author.citation id: 1
citation author.entry id: 21058
citation author.ordinal: 8
citation author.family name: Kim
citation author.given name: Yangmee
citation author.pdbx name: Kim, Y.

21058,assigned chemical shifts
type: data set
of datablock: info:bmrb/21058
reference to entry: entry
data set.entry id: 21058
data set.type: assigned_chemical_shifts
data set.count: 1

21058,1H chemical shifts
type: datum
of datablock: info:bmrb/21058
reference to entry: entry
datum.entry id: 21058
datum.type: 1H chemical shifts
datum.count: 151

21058,1
type: entity
of datablock: info:bmrb/21058
reference to entry: entry
entity.entry id: 21058
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 2300.852
entity.name: Papiliocin(1-8)-MAGAININ 2 HYBRID PEPTIDE ANALOGUE
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: yes
entity.number of monomers: 19
entity.paramagnetic: no
entity.parent entity id: 0
entity.polymer seq one letter code: RWKIFKKIPKFLHSAKKFX
entity.polymer seq one letter code can: RWKIFKKIPKFLHSAKKF(NH2)
entity.polymer strand id: A
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: Papiliocin(1-8)-MAGAININ_2_HYBRID_PEPTIDE_ANALOGUE
entity.src method: man
entity.thiol state: not present
entity.type: polymer

1,21058,1
type: entity assembly
of datablock: info:bmrb/21058
entity assembly.assembly id: 1
entity assembly.entry id: 21058
entity assembly.id: 1
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: PapMA
entity assembly.entity id: 1
entity assembly.entity label: Papiliocin(1-8)-MAGAININ_2_HYBRID_PEPTIDE_ANALOGUE
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,21058,1
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 1
entity comp index.auth seq id: 1
entity comp index.comp id: ARG

1,21058,2
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 2
entity comp index.auth seq id: 2
entity comp index.comp id: TRP

1,21058,3
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 3
entity comp index.auth seq id: 3
entity comp index.comp id: LYS

1,21058,4
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 4
entity comp index.auth seq id: 4
entity comp index.comp id: ILE

1,21058,5
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 5
entity comp index.auth seq id: 5
entity comp index.comp id: PHE

1,21058,6
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 6
entity comp index.auth seq id: 6
entity comp index.comp id: LYS

1,21058,7
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 7
entity comp index.auth seq id: 7
entity comp index.comp id: LYS

1,21058,8
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 8
entity comp index.auth seq id: 8
entity comp index.comp id: ILE

1,21058,9
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 9
entity comp index.auth seq id: 9
entity comp index.comp id: PRO

1,21058,10
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 10
entity comp index.auth seq id: 10
entity comp index.comp id: LYS

1,21058,11
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 11
entity comp index.auth seq id: 11
entity comp index.comp id: PHE

1,21058,12
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 12
entity comp index.auth seq id: 12
entity comp index.comp id: LEU

1,21058,13
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 13
entity comp index.auth seq id: 13
entity comp index.comp id: HIS

1,21058,14
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 14
entity comp index.auth seq id: 14
entity comp index.comp id: SER

1,21058,15
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 15
entity comp index.auth seq id: 15
entity comp index.comp id: ALA

1,21058,16
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 16
entity comp index.auth seq id: 16
entity comp index.comp id: LYS

1,21058,17
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 17
entity comp index.auth seq id: 17
entity comp index.comp id: LYS

1,21058,18
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 18
entity comp index.auth seq id: 18
entity comp index.comp id: PHE

1,21058,19
type: entity comp index
of datablock: info:bmrb/21058
entity comp index.entity id: 1
entity comp index.entry id: 21058
entity comp index.id: 19
entity comp index.auth seq id: 19
entity comp index.comp id: NH2

1,21058,1
type: entity experimental src
of datablock: info:bmrb/21058
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 21058
entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: Papiliocin(1-8)-MAGAININ_2_HYBRID_PEPTIDE_ANALOGUE
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: recombinant technology

21058,1
type: entity experimental src list
of datablock: info:bmrb/21058
reference to entry: entry
entity experimental src list.entry id: 21058
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,21058,1
type: entity natural src
of datablock: info:bmrb/21058
reference to entry: entry
entity natural src.entity natural src list id: 1
entity natural src.entry id: 21058
entity natural src.id: 1
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: Papiliocin(1-8)-MAGAININ_2_HYBRID_PEPTIDE_ANALOGUE
entity natural src.genus: Xenopus
entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 8355
entity natural src.organism name common: clawed frog
entity natural src.organism name scientific: Xenopus laevis
entity natural src.species: laevis
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/8355

taxonomy:8355

21058,1
type: entity natural src list
of datablock: info:bmrb/21058
reference to entry: entry
entity natural src list.entry id: 21058
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

1,21058,1
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: ARG

1,21058,2
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: TRP

1,21058,3
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: LYS

1,21058,4
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: ILE

1,21058,5
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: PHE

1,21058,6
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: LYS

1,21058,7
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 7
entity poly seq.comp index id: 7
entity poly seq.mon id: LYS

1,21058,8
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 8
entity poly seq.comp index id: 8
entity poly seq.mon id: ILE

1,21058,9
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 9
entity poly seq.comp index id: 9
entity poly seq.mon id: PRO

1,21058,10
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 10
entity poly seq.comp index id: 10
entity poly seq.mon id: LYS

1,21058,11
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 11
entity poly seq.comp index id: 11
entity poly seq.mon id: PHE

1,21058,12
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 12
entity poly seq.comp index id: 12
entity poly seq.mon id: LEU

1,21058,13
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 13
entity poly seq.comp index id: 13
entity poly seq.mon id: HIS

1,21058,14
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 14
entity poly seq.comp index id: 14
entity poly seq.mon id: SER

1,21058,15
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 15
entity poly seq.comp index id: 15
entity poly seq.mon id: ALA

1,21058,16
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 16
entity poly seq.comp index id: 16
entity poly seq.mon id: LYS

1,21058,17
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 17
entity poly seq.comp index id: 17
entity poly seq.mon id: LYS

1,21058,18
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 18
entity poly seq.comp index id: 18
entity poly seq.mon id: PHE

1,21058,19
type: entity poly seq
of datablock: info:bmrb/21058
entity poly seq.entity id: 1
entity poly seq.entry id: 21058
entity poly seq.num: 19
entity poly seq.comp index id: 19
entity poly seq.mon id: NH2

http://bmrbpub.pdbj.org/rdf/bmr21058/entry/21058
type: entry
of datablock: info:bmrb/21058
entry.id: 21058
entry.accession date: 2015-03-14Z
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2015-03-14Z
entry.nmr star version: 3.2.0.16
entry.original nmr star version: 3.0.9.14
entry.original release date: 2015-03-14Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2015-03-11Z
entry.title: PapMA
entry.type: macromolecule
entry.version type: original

21058,1
type: entry author
of datablock: info:bmrb/21058
reference to entry: entry
entry author.entry id: 21058
entry author.ordinal: 1
entry author.family name: Shin
entry author.first initial: D.
entry author.given name: Areum
entry author.pdbx name: Shin, A.

21058,2
type: entry author
of datablock: info:bmrb/21058
reference to entry: entry
entry author.entry id: 21058
entry author.ordinal: 2
entry author.family name: Lee
entry author.first initial: Y.
entry author.given name: Eunjung
entry author.pdbx name: Lee, E.

21058,3
type: entry author
of datablock: info:bmrb/21058
reference to entry: entry
entry author.entry id: 21058
entry author.ordinal: 3
entry author.family name: Park
entry author.given name: Young-Guen
entry author.pdbx name: Park, Y.

21058,4
type: entry author
of datablock: info:bmrb/21058
reference to entry: entry
entry author.entry id: 21058
entry author.ordinal: 4
entry author.family name: Bang
entry author.given name: Jeong Kyu
entry author.pdbx name: Bang, J.

21058,5
type: entry author
of datablock: info:bmrb/21058
reference to entry: entry
entry author.entry id: 21058
entry author.ordinal: 5
entry author.family name: Park
entry author.given name: Yong-Sun
entry author.pdbx name: Park, Y.

21058,6
type: entry author
of datablock: info:bmrb/21058
reference to entry: entry
entry author.entry id: 21058
entry author.ordinal: 6
entry author.family name: Shin
entry author.given name: Song Yub
entry author.pdbx name: Shin, S.

21058,7
type: entry author
of datablock: info:bmrb/21058
reference to entry: entry
entry author.entry id: 21058
entry author.ordinal: 7
entry author.family name: Kim
entry author.given name: Yangmee
entry author.pdbx name: Kim, Y.

21058,1,1
type: experiment
of datablock: info:bmrb/21058
experiment.entry id: 21058
experiment.experiment list id: 1
experiment.id: 1
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: 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

21058,1,2
type: experiment
of datablock: info:bmrb/21058
experiment.entry id: 21058
experiment.experiment list id: 1
experiment.id: 2
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 TOCSY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

21058,1,3
type: experiment
of datablock: info:bmrb/21058
experiment.entry id: 21058
experiment.experiment list id: 1
experiment.id: 3
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 DQF-COSY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

21058,1
type: experiment list
of datablock: info:bmrb/21058
reference to entry: entry
experiment list.entry id: 21058
experiment list.id: 1
experiment list.details: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES.
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

21058,1
type: nmr spectrometer
of datablock: info:bmrb/21058
reference to entry: entry
nmr spectrometer.entry id: 21058
nmr spectrometer.id: 1
nmr spectrometer.field strength: 500
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: spectrometer_1

21058,1
type: nmr spectrometer list
of datablock: info:bmrb/21058
reference to entry: entry
nmr spectrometer list.entry id: 21058
nmr spectrometer list.id: 1
nmr spectrometer list.sf category: NMR_spectrometer_list
nmr spectrometer list.sf framecode: NMR_spectrometer_list

21058,1,spectrometer 1,1
type: nmr spectrometer view
of datablock: info:bmrb/21058
nmr spectrometer view.entry id: 21058
nmr spectrometer view.id: 1
nmr spectrometer view.name: spectrometer_1
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 500
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: Avance

21059,BMRB,21058
type: related entries
of datablock: info:bmrb/21058
reference to entry: entry
related entries.database accession code: 21059
related entries.database name: BMRB
related entries.entry id: 21058
related entries.relationship: Trans-PapMA-k

info:bmrb/21059

21058,1
type: release
of datablock: info:bmrb/21058
reference to entry: entry
release.entry id: 21058
release.release number: 1
release.author: BMRB
release.date: 2018-12-17Z
release.type: original

21058,1
type: sample
of datablock: info:bmrb/21058
reference to entry: entry
sample.entry id: 21058
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_1
sample.solvent system: 90% H2O/10% D2O
sample.type: solution

21058,1,1
type: sample component
of datablock: info:bmrb/21058
sample component.entry id: 21058
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: Papiliocin(1-8)-MAGAININ_2_HYBRID_PEPTIDE_ANALOGUE
sample component.isotopic labeling: natural abundance
sample component.mol common name: PapMA peptide
sample component.type: protein

21058,2,1
type: sample component
of datablock: info:bmrb/21058
sample component.entry id: 21058
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 150
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: [U-99% 2H]
sample component.mol common name: DPC micelles

21058,3,1
type: sample component
of datablock: info:bmrb/21058
sample component.entry id: 21058
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 90
sample component.concentration val units: %
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: H2O
sample component.type: solvent

21058,4,1
type: sample component
of datablock: info:bmrb/21058
sample component.entry id: 21058
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: %
sample component.entity id: 0
sample component.isotopic labeling: U-2H
sample component.mol common name: D2O
sample component.type: solvent

21058,1
type: sample condition list
of datablock: info:bmrb/21058
reference to entry: entry
sample condition list.entry id: 21058
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

21058,1,pH
type: sample condition variable
of datablock: info:bmrb/21058
sample condition variable.entry id: 21058
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 5.4
sample condition variable.val units: pH

21058,1,pressure
type: sample condition variable
of datablock: info:bmrb/21058
sample condition variable.entry id: 21058
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

21058,1,temperature
type: sample condition variable
of datablock: info:bmrb/21058
sample condition variable.entry id: 21058
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 303
sample condition variable.val units: K

21058,1
type: sg project
of datablock: info:bmrb/21058
reference to entry: entry
sg project.entry id: 21058
sg project.sg project id: 1
sg project.full name of center: not applicable
sg project.project name: not applicable

21058,1
type: software
of datablock: info:bmrb/21058
reference to entry: entry
software.entry id: 21058
software.id: 1
software.name: X-PLOR
software.sf category: software
software.sf framecode: X-PLOR
software.version: 3.851

21058,HELIX-HINGE-HELIX
type: struct keywords
of datablock: info:bmrb/21058
reference to entry: entry
struct keywords.entry id: 21058
struct keywords.keywords: HELIX-HINGE-HELIX

21058,1,structure solution
type: task
of datablock: info:bmrb/21058
task.entry id: 21058
task.software id: 1
task.task: structure solution

21058,Brunger,1
type: vendor
of datablock: info:bmrb/21058
vendor.entry id: 21058
vendor.name: Brunger
vendor.software id: 1