info:bmrb/4853
type: datablock
datablock name: 4853
has assembly category: assemblyCategory
has assembly bio function category: assembly bio functionCategory
has assembly common name category: assembly common nameCategory
has assembly db link category: assembly db linkCategory
has assembly type category: assembly typeCategory
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 citation keyword category: citation keywordCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity common name category: entity common nameCategory
has entity comp index category: entity comp indexCategory
has entity db link category: entity db linkCategory
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 spec expt category: nmr spec exptCategory
has nmr spectrometer category: nmr spectrometerCategory
has nmr spectrometer list category: nmr spectrometer listCategory
has nmr spectrometer view category: nmr spectrometer viewCategory
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 software category: softwareCategory
has software citation category: software citationCategory
has task category: taskCategory

4853,1
type: assembly
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
assembly.entry id: 4853
assembly.id: 1
assembly.name: LQH III ALPHA-LIKE TOXIN
assembly.number of components: 1
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: system_LqhIII
assembly.thiol state: all disulfide bound

https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
referenced by assembly: 4853,1
referenced by assigned chem shift list: 4853,1
referenced by chem comp: 4853,NH2
referenced by chem comp atom: N,NH2,4853
referenced by chem comp atom: HN1,NH2,4853
referenced by chem comp atom: HN2,NH2,4853
referenced by chem shift completeness char: 1,4853,1
referenced by chem shift completeness char: 1,4853,2
referenced by chem shift completeness char: 1,4853,3
referenced by chem shift completeness char: 1,4853,4
referenced by chem shift completeness char: 1,4853,5
referenced by chem shift completeness char: 1,4853,6
referenced by chem shift completeness char: 1,4853,7
referenced by chem shift completeness char: 1,4853,8
referenced by chem shift completeness char: 1,4853,9
referenced by chem shift completeness char: 1,4853,10
referenced by chem shift completeness char: 1,4853,11
referenced by chem shift completeness char: 1,4853,12
referenced by chem shift completeness char: 1,4853,13
referenced by chem shift completeness char: 1,4853,14
referenced by chem shift completeness char: 1,4853,15
referenced by chem shift completeness char: 1,4853,16
referenced by chem shift completeness char: 1,4853,17
referenced by chem shift completeness char: 1,4853,18
referenced by chem shift completeness char: 1,4853,19
referenced by chem shift completeness char: 1,4853,20
referenced by chem shift completeness char: 1,4853,21
referenced by chem shift completeness char: 1,4853,22
referenced by chem shift completeness char: 1,4853,23
referenced by chem shift completeness char: 1,4853,24
referenced by chem shift completeness char: 1,4853,25
referenced by chem shift completeness char: 1,4853,26
referenced by chem shift completeness char: 1,4853,27
referenced by chem shift completeness char: 1,4853,28
referenced by chem shift completeness char: 1,4853,29
referenced by chem shift completeness char: 1,4853,30
referenced by chem shift completeness char: 1,4853,31
referenced by chem shift completeness char: 1,4853,32
referenced by chem shift completeness char: 1,4853,33
referenced by chem shift completeness char: 1,4853,34
referenced by chem shift completeness char: 1,4853,35
referenced by chem shift completeness char: 1,4853,36
referenced by chem shift completeness char: 1,4853,37
referenced by chem shift completeness char: 1,4853,38
referenced by chem shift completeness char: 1,4853,39
referenced by chem shift completeness char: 1,4853,40
referenced by chem shift completeness char: 1,4853,41
referenced by chem shift completeness char: 1,4853,42
referenced by chem shift completeness char: 1,4853,43
referenced by chem shift completeness char: 1,4853,44
referenced by chem shift completeness char: 1,4853,45
referenced by chem shift completeness char: 1,4853,46
referenced by chem shift completeness char: 1,4853,47
referenced by chem shift completeness char: 1,4853,48
referenced by chem shift completeness char: 1,4853,49
referenced by chem shift completeness char: 1,4853,50
referenced by chem shift completeness char: 1,4853,51
referenced by chem shift completeness char: 1,4853,52
referenced by chem shift completeness char: 1,4853,53
referenced by chem shift completeness char: 1,4853,54
referenced by chem shift completeness char: 1,4853,55
referenced by chem shift completeness char: 1,4853,56
referenced by chem shift completeness char: 1,4853,57
referenced by chem shift completeness char: 1,4853,58
referenced by chem shift completeness char: 1,4853,59
referenced by chem shift completeness char: 1,4853,60
referenced by chem shift completeness char: 1,4853,61
referenced by chem shift completeness char: 1,4853,62
referenced by chem shift completeness char: 1,4853,63
referenced by chem shift completeness char: 1,4853,64
referenced by chem shift completeness char: 1,4853,65
referenced by chem shift completeness char: 1,4853,66
referenced by chem shift completeness char: 1,4853,67
referenced by chem shift completeness list: 1,4853
referenced by chem shift reference: 4853,1
referenced by citation: 4853,1
referenced by citation: 4853,2
referenced by citation: 4853,3
referenced by data set: 4853,assigned chemical shifts
referenced by datum: 4853,1H chemical shifts

1,Neurotoxin with binding properties to voltage-gated sodium channels,4853
type: assembly bio function
of datablock: info:bmrb/4853
assembly bio function.assembly id: 1
assembly bio function.biological function: Neurotoxin with binding properties to voltage-gated sodium channels
assembly bio function.entry id: 4853

1,4853,LQH III ALPHA-LIKE TOXIN,system
type: assembly common name
of datablock: info:bmrb/4853
assembly common name.assembly id: 1
assembly common name.entry id: 4853
assembly common name.name: LQH III ALPHA-LIKE TOXIN
assembly common name.type: system

1,4853,LqhIII,abbreviation
type: assembly common name
of datablock: info:bmrb/4853
assembly common name.assembly id: 1
assembly common name.entry id: 4853
assembly common name.name: LqhIII
assembly common name.type: abbreviation

1FH3,1,PDB,4853
type: assembly db link
of datablock: info:bmrb/4853
assembly db link.accession code: 1FH3
assembly db link.assembly id: 1
assembly db link.database code: PDB
assembly db link.entry id: 4853
assembly db link.author supplied: yes
assembly db link.entry mol name: A Chain A, Nmr Structures Of Lqh Iii Alpha-Like Scorpion Toxin From Leiurus Quinquestriatus Corresponding To The Major Conformer In Solution

info:pdb/1FH3

urn:miriam:pdb:1FH3

1BMR,1,PDB,4853
type: assembly db link
of datablock: info:bmrb/4853
assembly db link.accession code: 1BMR
assembly db link.assembly id: 1
assembly db link.database code: PDB
assembly db link.entry id: 4853
assembly db link.author supplied: yes
assembly db link.entry mol name: Alpha-Like Toxin Lqh Iii From Scorpion Leiurus Quinquestriatus Hebraeus, Nmr, 25 Structures

info:pdb/1BMR

urn:miriam:pdb:1BMR

1,4853,protein monomer
type: assembly type
of datablock: info:bmrb/4853
assembly type.assembly id: 1
assembly type.entry id: 4853
assembly type.type: protein monomer

4853,1
type: assigned chem shift list
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
assigned chem shift list.entry id: 4853
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
assigned chem shift list.details: The chemical shifts listed concern the major conformer in solution
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_cond_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: chemical_shift_set_1

1,4853,1
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 4.24
atom chem shift.val err: 0.01

1,4853,2
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 2
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.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 1.73
atom chem shift.val err: 0.01

1,4853,3
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 3
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 0.89
atom chem shift.val err: 0.01

1,4853,4
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 4
atom chem shift.ambiguity code: 1
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.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 0.89
atom chem shift.val err: 0.01

1,4853,5
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 5
atom chem shift.ambiguity code: 1
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.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 0.89
atom chem shift.val err: 0.01

1,4853,6
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 6
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.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 0.83
atom chem shift.val err: 0.01

1,4853,7
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 7
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.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 0.83
atom chem shift.val err: 0.01

1,4853,8
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 8
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.comp id: VAL
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 0.83
atom chem shift.val err: 0.01

1,4853,9
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 9
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.comp id: ARG
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: 8.99
atom chem shift.val err: 0.01

1,4853,10
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 10
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.comp id: ARG
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: 4.67
atom chem shift.val err: 0.01

1,4853,11
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 11
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.comp id: ARG
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: 1.80
atom chem shift.val err: 0.01

1,4853,12
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 12
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.comp id: ARG
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: 1.80
atom chem shift.val err: 0.01

1,4853,13
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 13
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
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: 1.48
atom chem shift.val err: 0.01

1,4853,14
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 14
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
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: 1.48
atom chem shift.val err: 0.01

1,4853,15
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 15
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
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: 3.10
atom chem shift.val err: 0.01

1,4853,16
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 16
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
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: 3.02
atom chem shift.val err: 0.01

1,4853,17
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 17
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
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: 7.64
atom chem shift.val err: 0.01

1,4853,18
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 18
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.comp id: ASP
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: 8.07
atom chem shift.val err: 0.01

1,4853,19
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 19
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.comp id: ASP
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: 5.11
atom chem shift.val err: 0.01

1,4853,20
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 20
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.comp id: ASP
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: 2.85
atom chem shift.val err: 0.01

1,4853,21
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 21
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.comp id: ASP
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: 2.56
atom chem shift.val err: 0.01

1,4853,22
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 22
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.comp id: GLY
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: 7.54
atom chem shift.val err: 0.01

1,4853,23
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 23
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLY
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: 3.55
atom chem shift.val err: 0.01

1,4853,24
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 24
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLY
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: 3.55
atom chem shift.val err: 0.01

1,4853,25
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 25
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.comp id: TYR
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: 8.21
atom chem shift.val err: 0.01

1,4853,26
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 26
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.comp id: TYR
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: 4.96
atom chem shift.val err: 0.01

1,4853,27
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 27
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.comp id: TYR
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: 2.80
atom chem shift.val err: 0.01

1,4853,28
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 28
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.comp id: TYR
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: 2.56
atom chem shift.val err: 0.01

1,4853,29
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 29
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.20
atom chem shift.val err: 0.01

1,4853,30
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 30
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atom chem shift.entity id: 1
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atom chem shift.val: 7.20
atom chem shift.val err: 0.01

1,4853,31
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 31
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.00
atom chem shift.val err: 0.01

1,4853,32
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 32
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.00
atom chem shift.val err: 0.01

1,4853,33
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 33
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 6.87
atom chem shift.val err: 0.01

1,4853,34
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 34
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atom chem shift.val: 4.04
atom chem shift.val err: 0.01

1,4853,35
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 35
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atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 1.67
atom chem shift.val err: 0.01

1,4853,36
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.21
atom chem shift.val err: 0.01

1,4853,37
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.21
atom chem shift.val err: 0.01

1,4853,38
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 0.82
atom chem shift.val err: 0.01

1,4853,39
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.82
atom chem shift.val err: 0.01

1,4853,40
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.82
atom chem shift.val err: 0.01

1,4853,41
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.64
atom chem shift.val err: 0.01

1,4853,42
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,43
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,44
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,45
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,46
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.entry id: 4853
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atom chem shift.val: 0.88
atom chem shift.val err: 0.01

1,4853,47
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,48
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,49
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,50
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,51
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,52
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,53
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,54
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,55
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val: 2.33
atom chem shift.val err: 0.01

1,4853,56
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,57
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,58
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,59
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,60
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,61
type: atom chem shift
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atom chem shift.val err: 0.01

1,4853,62
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,63
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,64
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,65
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,66
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,67
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,68
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,69
type: atom chem shift
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1,4853,70
type: atom chem shift
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1,4853,71
type: atom chem shift
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atom chem shift.val: 6.94
atom chem shift.val err: 0.01

1,4853,72
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,73
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,74
type: atom chem shift
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1,4853,75
type: atom chem shift
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1,4853,76
type: atom chem shift
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1,4853,77
type: atom chem shift
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1,4853,79
type: atom chem shift
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1,4853,80
type: atom chem shift
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1,4853,81
type: atom chem shift
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type: atom chem shift
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type: atom chem shift
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type: atom chem shift
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1,4853,86
type: atom chem shift
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1,4853,87
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1,4853,88
type: atom chem shift
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1,4853,89
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1,4853,90
type: atom chem shift
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1,4853,91
type: atom chem shift
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1,4853,94
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1,4853,95
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type: atom chem shift
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type: atom chem shift
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atom chem shift.val: 2.36
atom chem shift.val err: 0.01

1,4853,114
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,115
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,116
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,117
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,118
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,119
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,120
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1,4853,121
type: atom chem shift
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1,4853,122
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1,4853,123
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1,4853,124
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of datablock: info:bmrb/4853
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1,4853,125
type: atom chem shift
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1,4853,126
type: atom chem shift
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1,4853,127
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,128
type: atom chem shift
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1,4853,129
type: atom chem shift
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1,4853,130
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1,4853,131
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1,4853,132
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1,4853,133
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1,4853,134
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1,4853,135
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1,4853,136
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1,4853,137
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1,4853,138
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1,4853,139
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1,4853,140
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1,4853,141
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1,4853,142
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1,4853,145
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1,4853,147
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1,4853,148
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1,4853,150
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1,4853,157
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1,4853,158
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1,4853,159
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1,4853,162
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1,4853,166
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 5.05
atom chem shift.val err: 0.01

1,4853,199
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 199
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 4.54
atom chem shift.val err: 0.01

1,4853,200
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 200
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 9.19
atom chem shift.val err: 0.01

1,4853,201
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.seq id: 36
atom chem shift.val: 5.08
atom chem shift.val err: 0.01

1,4853,202
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 202
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 6.89
atom chem shift.val err: 0.01

1,4853,203
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 7.90
atom chem shift.val err: 0.01

1,4853,204
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 9.38
atom chem shift.val err: 0.01

1,4853,205
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 5.22
atom chem shift.val err: 0.01

1,4853,206
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 3.18
atom chem shift.val err: 0.01

1,4853,207
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 37
atom chem shift.val: 2.99
atom chem shift.val err: 0.01

1,4853,208
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 9.21
atom chem shift.val err: 0.01

1,4853,209
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.79
atom chem shift.val err: 0.01

1,4853,210
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.04
atom chem shift.val err: 0.01

1,4853,211
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,212
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,213
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,214
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,215
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,216
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,217
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,218
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,219
type: atom chem shift
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1,4853,220
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,221
type: atom chem shift
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1,4853,222
type: atom chem shift
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1,4853,223
type: atom chem shift
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1,4853,224
type: atom chem shift
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1,4853,225
type: atom chem shift
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1,4853,226
type: atom chem shift
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1,4853,227
type: atom chem shift
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1,4853,228
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,229
type: atom chem shift
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1,4853,230
type: atom chem shift
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1,4853,231
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,232
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,233
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,234
type: atom chem shift
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1,4853,235
type: atom chem shift
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1,4853,236
type: atom chem shift
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1,4853,237
type: atom chem shift
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1,4853,238
type: atom chem shift
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1,4853,239
type: atom chem shift
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1,4853,240
type: atom chem shift
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1,4853,241
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1,4853,242
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,243
type: atom chem shift
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atom chem shift.val err: 0.01

1,4853,244
type: atom chem shift
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atom chem shift.val err: 0.01

1,4853,245
type: atom chem shift
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1,4853,246
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1,4853,247
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1,4853,248
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1,4853,249
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1,4853,250
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1,4853,251
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1,4853,252
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1,4853,253
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1,4853,254
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1,4853,257
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1,4853,258
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1,4853,259
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1,4853,260
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1,4853,261
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1,4853,262
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1,4853,263
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1,4853,264
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1,4853,265
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1,4853,266
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1,4853,267
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1,4853,270
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 2.80
atom chem shift.val err: 0.01

1,4853,284
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 284
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 2.23
atom chem shift.val err: 0.01

1,4853,285
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 285
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atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 8.37
atom chem shift.val err: 0.01

1,4853,286
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 286
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 4.95
atom chem shift.val err: 0.01

1,4853,287
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 50
atom chem shift.val: 2.53
atom chem shift.val err: 0.01

1,4853,288
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val err: 0.01

1,4853,289
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.39
atom chem shift.val err: 0.01

1,4853,290
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 50
atom chem shift.val: 7.09
atom chem shift.val err: 0.01

1,4853,291
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.64
atom chem shift.val err: 0.01

1,4853,292
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.50
atom chem shift.val err: 0.01

1,4853,293
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 1.34
atom chem shift.val err: 0.01

1,4853,294
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,295
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,296
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,297
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,298
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.71
atom chem shift.val err: 0.01

1,4853,299
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,300
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,301
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,302
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,303
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,304
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,305
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,306
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,307
type: atom chem shift
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1,4853,308
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,309
type: atom chem shift
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1,4853,310
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,311
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,312
type: atom chem shift
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1,4853,313
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,314
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,315
type: atom chem shift
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1,4853,316
type: atom chem shift
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1,4853,317
type: atom chem shift
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1,4853,318
type: atom chem shift
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1,4853,319
type: atom chem shift
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1,4853,320
type: atom chem shift
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1,4853,321
type: atom chem shift
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1,4853,322
type: atom chem shift
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1,4853,323
type: atom chem shift
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1,4853,324
type: atom chem shift
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1,4853,325
type: atom chem shift
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atom chem shift.val: 3.95
atom chem shift.val err: 0.01

1,4853,326
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 326
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.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 1.98
atom chem shift.val err: 0.01

1,4853,327
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 327
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 1.03
atom chem shift.val err: 0.01

1,4853,328
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 1.03
atom chem shift.val err: 0.01

1,4853,329
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 329
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 1.03
atom chem shift.val err: 0.01

1,4853,330
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 330
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 1.03
atom chem shift.val err: 0.01

1,4853,331
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.03
atom chem shift.val err: 0.01

1,4853,332
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 332
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.03
atom chem shift.val err: 0.01

1,4853,333
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 333
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 8.52
atom chem shift.val err: 0.01

1,4853,334
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 334
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 3.86
atom chem shift.val err: 0.01

1,4853,335
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 335
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 3.66
atom chem shift.val err: 0.01

1,4853,336
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 336
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 7.55
atom chem shift.val err: 0.01

1,4853,337
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 337
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 58
atom chem shift.val: 4.84
atom chem shift.val err: 0.01

1,4853,338
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 338
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.65
atom chem shift.val err: 0.01

1,4853,339
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 0.65
atom chem shift.val err: 0.01

1,4853,340
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.65
atom chem shift.val err: 0.01

1,4853,341
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 0.65
atom chem shift.val err: 0.01

1,4853,342
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,343
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.45
atom chem shift.val err: 0.01

1,4853,344
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val: 0.45
atom chem shift.val err: 0.01

1,4853,345
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,346
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.26
atom chem shift.val err: 0.01

1,4853,347
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,348
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,349
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,350
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,351
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.val err: 0.01

1,4853,352
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,353
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,354
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,355
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
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atom chem shift.val err: 0.01

1,4853,356
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,357
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,358
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,359
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,360
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,361
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,362
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,363
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4853,364
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
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1,4853,365
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,366
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,367
type: atom chem shift
of datablock: info:bmrb/4853
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1,4853,368
type: atom chem shift
of datablock: info:bmrb/4853
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atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 1.96
atom chem shift.val err: 0.01

1,4853,369
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 369
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.comp id: GLU
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 2.05
atom chem shift.val err: 0.01

1,4853,370
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 370
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 2.40
atom chem shift.val err: 0.01

1,4853,371
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 371
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 2.40
atom chem shift.val err: 0.01

1,4853,372
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 372
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.comp id: GLY
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 8.68
atom chem shift.val err: 0.01

1,4853,373
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 373
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLY
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 4.16
atom chem shift.val err: 0.01

1,4853,374
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 374
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLY
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 3.72
atom chem shift.val err: 0.01

1,4853,375
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 375
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 7.14
atom chem shift.val err: 0.01

1,4853,376
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 376
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 4.63
atom chem shift.val err: 0.01

1,4853,377
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 377
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 2.00
atom chem shift.val err: 0.01

1,4853,378
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 378
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 1.79
atom chem shift.val err: 0.01

1,4853,379
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 379
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 2.37
atom chem shift.val err: 0.01

1,4853,380
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 380
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 2.26
atom chem shift.val err: 0.01

1,4853,381
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 381
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.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 8.69
atom chem shift.val err: 0.01

1,4853,382
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 382
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.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 4.31
atom chem shift.val err: 0.01

1,4853,383
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 383
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.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 1.65
atom chem shift.val err: 0.01

1,4853,384
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 384
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.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 1.65
atom chem shift.val err: 0.01

1,4853,385
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 385
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 1.43
atom chem shift.val err: 0.01

1,4853,386
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 386
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 1.43
atom chem shift.val err: 0.01

1,4853,387
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 387
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.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 1.80
atom chem shift.val err: 0.01

1,4853,388
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 388
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 1.80
atom chem shift.val err: 0.01

1,4853,389
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 389
atom chem shift.ambiguity code: 1
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.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 2.98
atom chem shift.val err: 0.01

1,4853,390
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 390
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.comp id: LYS
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 2.98
atom chem shift.val err: 0.01

1,4853,391
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 391
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.comp id: CYS
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 8.34
atom chem shift.val err: 0.01

1,4853,392
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 392
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.comp id: CYS
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 5.12
atom chem shift.val err: 0.01

1,4853,393
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 393
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.comp id: CYS
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 2.60
atom chem shift.val err: 0.01

1,4853,394
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 394
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.comp id: CYS
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 3.97
atom chem shift.val err: 0.01

1,4853,395
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 395
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: HIS
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 8.93
atom chem shift.val err: 0.01

1,4853,396
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 396
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.comp id: HIS
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 4.97
atom chem shift.val err: 0.01

1,4853,397
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 397
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.comp id: HIS
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 3.26
atom chem shift.val err: 0.01

1,4853,398
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 398
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.comp id: HIS
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 3.26
atom chem shift.val err: 0.01

1,4853,399
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 399
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.comp id: HIS
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 7.32
atom chem shift.val err: 0.01

1,4853,400
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 400
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.comp id: HIS
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 8.52
atom chem shift.val err: 0.01

1,4853,401
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 401
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: SER
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 8.48
atom chem shift.val err: 0.01

1,4853,402
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 402
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.comp id: SER
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 4.48
atom chem shift.val err: 0.01

1,4853,403
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 403
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.comp id: SER
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 3.83
atom chem shift.val err: 0.01

1,4853,404
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 404
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.comp id: SER
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 3.83
atom chem shift.val err: 0.01

1,4853,405
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 405
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: NH2
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 7.10
atom chem shift.val err: 0.01

1,4853,406
type: atom chem shift
of datablock: info:bmrb/4853
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4853
atom chem shift.id: 406
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HN2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: NH2
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 7.57
atom chem shift.val err: 0.01

4853,NH2
type: chem comp
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem comp.entry id: 4853
chem comp.id: NH2
chem comp.ambiguous flag: yes
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 16:09:34 2011
chem comp.formal charge: 0
chem comp.formula: H2 N
chem comp.formula weight: 16.023
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 2FLY
chem comp.model coordinates missing flag: no
chem comp.modified date: 2008-10-13Z
chem comp.name: AMINO GROUP
chem comp.pdb code: NH2
chem comp.processing site: RCSB
chem comp.provenance: na
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

urn:miriam:pdb-ccd:NH2

info:pdb.ligand/NH2

urn:miriam:pdb.ligand:NH2

N,NH2,4853
type: chem comp atom
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem comp atom.atom id: N
chem comp atom.comp id: NH2
chem comp atom.entry id: 4853
chem comp atom.aromatic flag: no
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,NH2,4853
type: chem comp atom
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem comp atom.atom id: HN1
chem comp atom.comp id: NH2
chem comp atom.entry id: 4853
chem comp atom.aromatic flag: no
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,NH2,4853
type: chem comp atom
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem comp atom.atom id: HN2
chem comp atom.comp id: NH2
chem comp atom.entry id: 4853
chem comp atom.aromatic flag: no
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

NH2,4853,1
type: chem comp bond
of datablock: info:bmrb/4853
chem comp bond.comp id: NH2
chem comp bond.entry id: 4853
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

NH2,4853,2
type: chem comp bond
of datablock: info:bmrb/4853
chem comp bond.comp id: NH2
chem comp bond.entry id: 4853
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

NH2,N,4853,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4853
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: N
chem comp descriptor.entry id: 4853
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

h1H3,4853,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4853
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: InChI=1/H3N/h1H3
chem comp descriptor.entry id: 4853
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

NH2,QGZKDVFQNNGYKY-UHFFFAOYAF,4853,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4853
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: QGZKDVFQNNGYKY-UHFFFAOYAF
chem comp descriptor.entry id: 4853
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

NH2,(NH2),4853,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4853
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 4853
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

NH2,(NH2),4853,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4853
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 4853
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

NH2,(NH2),4853,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4853
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 4853
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

NH2,(NH2),4853,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4853
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 4853
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

NH2,4853,ammonia,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4853
chem comp identifier.comp id: NH2
chem comp identifier.entry id: 4853
chem comp identifier.identifier: ammonia
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

NH2,4853,l^{2}-azane,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4853
chem comp identifier.comp id: NH2
chem comp identifier.entry id: 4853
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

1,4853,1
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: CYS
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: 48530301

1,4853,2
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 2
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: 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: 48530301

1,4853,3
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 3
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: 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: 48530301

1,4853,4
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 4
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: GLY
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,5
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: SER
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,6
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: SER
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,7
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 7
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: GLY
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,8
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 48530301

1,4853,9
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: ASP
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,10
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: THR
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 48530301

1,4853,11
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: LEU
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 48530301

1,4853,12
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: CYS
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,13
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.800
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 48530301

1,4853,14
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: GLU
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,15
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.800
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 48530301

1,4853,16
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: GLY
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,17
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
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: GLY
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,18
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 18
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: THR
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 48530301

1,4853,19
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 19
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: 34
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: 48530301

1,4853,20
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 48530301

1,4853,21
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 21
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: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 48530301

1,4853,22
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 22
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: CYS
chem shift completeness char.comp index id: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,23
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 23
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: GLY
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,24
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 24
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: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,25
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 25
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: 40
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: 48530301

1,4853,26
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 26
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: VAL
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 48530301

1,4853,27
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 27
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: GLY
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,28
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 28
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: 43
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: 48530301

1,4853,29
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 29
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: GLY
chem shift completeness char.comp index id: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,30
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 30
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: 45
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: 48530301

1,4853,31
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 31
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: 46
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: 48530301

1,4853,32
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 32
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: CYS
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,33
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 33
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: TRP
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,34
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 34
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: CYS
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,35
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 35
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: ASN
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,36
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 36
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: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 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: 48530301

1,4853,37
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 37
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: 52
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: 48530301

1,4853,38
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 38
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: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,39
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 39
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: ASP
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,40
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 40
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: ASN
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,41
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 41
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: VAL
chem shift completeness char.comp index id: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 48530301

1,4853,42
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 42
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: GLY
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,43
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 43
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.800
chem shift completeness char.sf id: 48530301

1,4853,44
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 44
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: 59
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: 48530301

1,4853,45
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 45
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: VAL
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 48530301

1,4853,46
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 46
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: GLU
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,47
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 47
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: GLY
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,48
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 48
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: GLU
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,49
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 49
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: 64
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: 48530301

1,4853,50
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 50
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: CYS
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,51
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 51
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: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,52
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 52
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: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 48530301

1,4853,53
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 53
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: 0.800
chem shift completeness char.chem shift coverage: 0.800
chem shift completeness char.comp id: VAL
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.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: 48530301

1,4853,54
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 54
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: ARG
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: 48530301

1,4853,55
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 55
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: ASP
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: 48530301

1,4853,56
type: chem shift completeness char
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4853
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 1h coverage: 1.000
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1,4853,60
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citation.id: 1
citation.class: entry citation
citation.journal abbrev: J. Mol. Biol.
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citation.status: submitted
citation.title: A Cis-trans Isomerism of a Non-prolyl Peptide Bond in Lqh III Alpha-like Scorpion Toxin Revealed by Solution NMR
citation.type: journal

4853,2
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citation.entry id: 4853
citation.id: 2
citation.class: reference citation
citation.full citation: Pons, J.L., Malliavin, T.E. and Delsuc, M.A., 1996. Gifa V4 : a complete package for NMR data-set processing. J. Biomol. NMR, 8, 445-452.
citation.sf category: citations
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4853,3
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citation.entry id: 4853
citation.id: 3
citation.class: reference citation
citation.details: NMR structures of a new toxin from the scorpion Leiurus quinquestriatus hebraeus (Lqh III) have been investigated in conjunction with its pharmacological properties. This toxin is proposed to belong to a new group of scorpion toxins, the alpha-like toxins that target voltage-gated sodium channels with specific properties compared with the classical alpha-scorpion toxins. Electrophysiological analysis showed that Lqh III inhibits a sodium current inactivation in the cockroach axon, but induces in addition a resting depolarization due to a slowly decaying tail current atypical to other alpha-toxin action. Binding studies indicated that radiolabeled Lqh III binds with a high degree of affinity (Ki=2.2 nM) on cockroach sodium channels and that the alpha-toxin from L quinquestriatus hebraeus highly active on insects (LqhalphaIT) and alpha-like toxins compete at low concentration for its receptor binding site, suggesting that the alpha-like toxin receptor site is partially overlapping with the receptor site 3. Conversely, in rat brain, Lqh III competes for binding of the most potent anti-mammal alpha-toxin from Androctonus australis Hector venom (AaH II) only at very high concentration.The NMR structures were used for the scrutiny of the similarities and differences with representative scorpion alpha-toxins targeting the voltage-gated sodium channels of either mammals or insects. Three turn regions involved in the functional binding site of the anti-insect LqhalphaIT toxin reveal significant differences in the Lqh III structure. The electrostatic charge distribution in the Lqh III toxin is also surprisingly different when compared with the anti-mammal alpha-toxin AaH II. Similarities in the electrostatic charge distribution are, however, recognized between alpha-toxins highly active on insects and the alpha-like toxin Lqh III. This affords additional important elements to the definition of the new alpha-like group of scorpion toxins and the mammal versus insect scorpion t[cell cut: 2019 characters, first 2000 kept]
citation.doi: 10.1006/jmbi.1998.2418
citation.full citation: Krimm, I. et al (1999) NMR Structures and Activity of a Novel Alpha-Like Toxin from the Scorpion Leiurus quinquestriatus hebraeus. J. Mol. Biol., 285: 1749-1763.
citation.journal abbrev: J. Mol. Biol.
citation.journal issn: 0022-2836
citation.journal issue: 4
citation.journal name full: Journal of molecular biology
citation.journal volume: 285
citation.page first: 1749
citation.page last: 1763
citation.pubmed id: 9917409
citation.sf category: citations
citation.sf framecode: ref_2
citation.status: published
citation.title: NMR structures and activity of a novel alpha-like toxin from the scorpion Leiurus quinquestriatus hebraeus.
citation.type: journal
citation.year: 1999

info:doi/10.1006/jmbi.1998.2418

urn:miriam:doi:10.1006/jmbi.1998.2418

urn:ISSN:0022-2836

urn:miriam:issn:0022-2836

info:pmid/9917409

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citation author.family name: Krimm
citation author.given name: I.
citation author.pdbx name: Krimm, I.

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citation author.pdbx name: Trivelli, X.

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citation author.entry id: 4853
citation author.ordinal: 3
citation author.family name: Lancelin
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citation author.middle initials: M.
citation author.pdbx name: Lancelin, J.M.

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citation author.family name: Lancelin
citation author.first initial: J.
citation author.given name: J. M.
citation author.middle initials: M.
citation author.pdbx name: Lancelin, J.M.

1,4853,alpha-like toxin
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citation keyword.keyword: alpha-like toxin

1,4853,scorpion toxin
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citation keyword.keyword: scorpion toxin

1,4853,sodium channel inhibitor
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citation keyword.keyword: sodium channel inhibitor

1,4853,non-proline cis peptide bond
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citation keyword.keyword: non-proline cis peptide bond

1,4853,cis-trans isomerism
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citation keyword.keyword: cis-trans isomerism

4853,assigned chemical shifts
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data set.type: assigned_chemical_shifts
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4853,1H chemical shifts
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datum.entry id: 4853
datum.type: 1H chemical shifts
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4853,1
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entity.entry id: 4853
entity.id: 1
entity.db query revised last date: 2015-01-27Z
entity.details: The molecule is characterized by a mixture of cis (major form) and trans (minor form) Pro9-Glu10 peptide bond in slow exchange on the NMR chemical shift time scale.
entity.formula weight: 7054.917
entity.name: LQH III ALPHA-LIKE TOXIN
entity.number of monomers: 68
entity.parent entity id: 1
entity.polymer seq one letter code: VRDGYIAQPENCVYHCFPGSSGCDTLCKEKGGTSGHCGFKVGHGLACWCNALPDNVGIIVEGEKCHSX
entity.polymer seq one letter code can: VRDGYIAQPENCVYHCFPGSSGCDTLCKEKGGTSGHCGFKVGHGLACWCNALPDNVGIIVEGEKCHS(NH2)
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: LqhIII
entity.thiol state: all disulfide bound
entity.type: polymer

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entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: LqhIII
entity assembly.entity id: 1
entity assembly.entity label: LqhIII
entity assembly.physical state: native

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entity common name.name: LqhIII
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entity comp index.id: 7
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entity comp index.id: 10
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entity comp index.comp id: CYS

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entity comp index.entry id: 4853
entity comp index.id: 13
entity comp index.comp id: VAL

1,4853,14
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 14
entity comp index.comp id: TYR

1,4853,15
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 15
entity comp index.comp id: HIS

1,4853,16
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 16
entity comp index.comp id: CYS

1,4853,17
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 17
entity comp index.comp id: PHE

1,4853,18
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 18
entity comp index.comp id: PRO

1,4853,19
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 19
entity comp index.comp id: GLY

1,4853,20
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 20
entity comp index.comp id: SER

1,4853,21
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 21
entity comp index.comp id: SER

1,4853,22
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 22
entity comp index.comp id: GLY

1,4853,23
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 23
entity comp index.comp id: CYS

1,4853,24
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 24
entity comp index.comp id: ASP

1,4853,25
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 25
entity comp index.comp id: THR

1,4853,26
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 26
entity comp index.comp id: LEU

1,4853,27
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 27
entity comp index.comp id: CYS

1,4853,28
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 28
entity comp index.comp id: LYS

1,4853,29
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 29
entity comp index.comp id: GLU

1,4853,30
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 30
entity comp index.comp id: LYS

1,4853,31
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 31
entity comp index.comp id: GLY

1,4853,32
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 32
entity comp index.comp id: GLY

1,4853,33
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 33
entity comp index.comp id: THR

1,4853,34
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 34
entity comp index.comp id: SER

1,4853,35
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 35
entity comp index.comp id: GLY

1,4853,36
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 36
entity comp index.comp id: HIS

1,4853,37
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 37
entity comp index.comp id: CYS

1,4853,38
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 38
entity comp index.comp id: GLY

1,4853,39
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 39
entity comp index.comp id: PHE

1,4853,40
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 40
entity comp index.comp id: LYS

1,4853,41
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 41
entity comp index.comp id: VAL

1,4853,42
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 42
entity comp index.comp id: GLY

1,4853,43
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 43
entity comp index.comp id: HIS

1,4853,44
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 44
entity comp index.comp id: GLY

1,4853,45
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 45
entity comp index.comp id: LEU

1,4853,46
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 46
entity comp index.comp id: ALA

1,4853,47
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 47
entity comp index.comp id: CYS

1,4853,48
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 48
entity comp index.comp id: TRP

1,4853,49
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 49
entity comp index.comp id: CYS

1,4853,50
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 50
entity comp index.comp id: ASN

1,4853,51
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 51
entity comp index.comp id: ALA

1,4853,52
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 52
entity comp index.comp id: LEU

1,4853,53
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 53
entity comp index.comp id: PRO

1,4853,54
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 54
entity comp index.comp id: ASP

1,4853,55
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 55
entity comp index.comp id: ASN

1,4853,56
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 56
entity comp index.comp id: VAL

1,4853,57
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 57
entity comp index.comp id: GLY

1,4853,58
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 58
entity comp index.comp id: ILE

1,4853,59
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 59
entity comp index.comp id: ILE

1,4853,60
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 60
entity comp index.comp id: VAL

1,4853,61
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 61
entity comp index.comp id: GLU

1,4853,62
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 62
entity comp index.comp id: GLY

1,4853,63
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 63
entity comp index.comp id: GLU

1,4853,64
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 64
entity comp index.comp id: LYS

1,4853,65
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 65
entity comp index.comp id: CYS

1,4853,66
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 66
entity comp index.comp id: HIS

1,4853,67
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 67
entity comp index.comp id: SER

1,4853,68
type: entity comp index
of datablock: info:bmrb/4853
entity comp index.entity id: 1
entity comp index.entry id: 4853
entity comp index.id: 68
entity comp index.comp id: NH2

1BMR,PDB,1,4853
type: entity db link
of datablock: info:bmrb/4853
entity db link.accession code: 1BMR
entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 4853
entity db link.author supplied: no
entity db link.entry mol name: Alpha-Like Toxin Lqh Iii From Scorpion Leiurus Quinquestriatus Hebraeus, Nmr, 25 Structures
entity db link.ordinal: 1
entity db link.seq homology expectation val: 1.01E-39
entity db link.seq identity: 100.00
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 98.51
entity db link.seq subject length: 68

1FH3,PDB,1,4853
type: entity db link
of datablock: info:bmrb/4853
entity db link.accession code: 1FH3
entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 4853
entity db link.author supplied: no
entity db link.entry mol name: Nmr Structures Of Lqh Iii Alpha-Like Scorpion Toxin From Leiurus Quinquestriatus Corresponding To The Major Conformer In Soluti
entity db link.ordinal: 2
entity db link.seq homology expectation val: 1.01E-39
entity db link.seq identity: 100.00
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 98.51
entity db link.seq subject length: 68

P56678,SP,1,4853
type: entity db link
of datablock: info:bmrb/4853
entity db link.accession code: P56678
entity db link.database code: SP
entity db link.entity id: 1
entity db link.entry id: 4853
entity db link.author supplied: no
entity db link.entry mol name: RecName: Full=Alpha-like toxin Lqh3; AltName: Full=Lqh III; Short=LqhIII [Leiurus quinquestriatus hebraeus]
entity db link.ordinal: 3
entity db link.seq homology expectation val: 9.81E-40
entity db link.seq identity: 100.00
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 98.51
entity db link.seq subject length: 67

info:uniprot/P56678

urn:miriam:uniprot:P56678

1,4853,1
type: entity experimental src
of datablock: info:bmrb/4853
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 4853
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: LqhIII
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: purified from the natural source

4853,1
type: entity experimental src list
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
entity experimental src list.entry id: 4853
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,4853,1
type: entity natural src
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
entity natural src.entity natural src list id: 1
entity natural src.entry id: 4853
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: LqhIII
entity natural src.genus: Leiurus
entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 6884
entity natural src.organism name common: Hebraeus yellow scorpion
entity natural src.organism name scientific: Leiurus quinquestriatus hebraeus
entity natural src.species: quinquestriatus
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/6884

urn:miriam:taxonomy:6884

4853,1
type: entity natural src list
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
entity natural src list.entry id: 4853
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

1,4853,1
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: VAL

1,4853,2
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: ARG

1,4853,3
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: ASP

1,4853,4
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: GLY

1,4853,5
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: TYR

1,4853,6
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: ILE

1,4853,7
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 7
entity poly seq.comp index id: 7
entity poly seq.mon id: ALA

1,4853,8
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 8
entity poly seq.comp index id: 8
entity poly seq.mon id: GLN

1,4853,9
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 9
entity poly seq.comp index id: 9
entity poly seq.mon id: PRO

1,4853,10
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 10
entity poly seq.comp index id: 10
entity poly seq.mon id: GLU

1,4853,11
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 11
entity poly seq.comp index id: 11
entity poly seq.mon id: ASN

1,4853,12
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 12
entity poly seq.comp index id: 12
entity poly seq.mon id: CYS

1,4853,13
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 13
entity poly seq.comp index id: 13
entity poly seq.mon id: VAL

1,4853,14
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 14
entity poly seq.comp index id: 14
entity poly seq.mon id: TYR

1,4853,15
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 15
entity poly seq.comp index id: 15
entity poly seq.mon id: HIS

1,4853,16
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 16
entity poly seq.comp index id: 16
entity poly seq.mon id: CYS

1,4853,17
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 17
entity poly seq.comp index id: 17
entity poly seq.mon id: PHE

1,4853,18
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 18
entity poly seq.comp index id: 18
entity poly seq.mon id: PRO

1,4853,19
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 19
entity poly seq.comp index id: 19
entity poly seq.mon id: GLY

1,4853,20
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 20
entity poly seq.comp index id: 20
entity poly seq.mon id: SER

1,4853,21
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 21
entity poly seq.comp index id: 21
entity poly seq.mon id: SER

1,4853,22
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 22
entity poly seq.comp index id: 22
entity poly seq.mon id: GLY

1,4853,23
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 23
entity poly seq.comp index id: 23
entity poly seq.mon id: CYS

1,4853,24
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 24
entity poly seq.comp index id: 24
entity poly seq.mon id: ASP

1,4853,25
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 25
entity poly seq.comp index id: 25
entity poly seq.mon id: THR

1,4853,26
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 26
entity poly seq.comp index id: 26
entity poly seq.mon id: LEU

1,4853,27
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 27
entity poly seq.comp index id: 27
entity poly seq.mon id: CYS

1,4853,28
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 28
entity poly seq.comp index id: 28
entity poly seq.mon id: LYS

1,4853,29
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 29
entity poly seq.comp index id: 29
entity poly seq.mon id: GLU

1,4853,30
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 30
entity poly seq.comp index id: 30
entity poly seq.mon id: LYS

1,4853,31
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 31
entity poly seq.comp index id: 31
entity poly seq.mon id: GLY

1,4853,32
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 32
entity poly seq.comp index id: 32
entity poly seq.mon id: GLY

1,4853,33
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 33
entity poly seq.comp index id: 33
entity poly seq.mon id: THR

1,4853,34
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 34
entity poly seq.comp index id: 34
entity poly seq.mon id: SER

1,4853,35
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 35
entity poly seq.comp index id: 35
entity poly seq.mon id: GLY

1,4853,36
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 36
entity poly seq.comp index id: 36
entity poly seq.mon id: HIS

1,4853,37
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 37
entity poly seq.comp index id: 37
entity poly seq.mon id: CYS

1,4853,38
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 38
entity poly seq.comp index id: 38
entity poly seq.mon id: GLY

1,4853,39
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 39
entity poly seq.comp index id: 39
entity poly seq.mon id: PHE

1,4853,40
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 40
entity poly seq.comp index id: 40
entity poly seq.mon id: LYS

1,4853,41
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 41
entity poly seq.comp index id: 41
entity poly seq.mon id: VAL

1,4853,42
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 42
entity poly seq.comp index id: 42
entity poly seq.mon id: GLY

1,4853,43
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 43
entity poly seq.comp index id: 43
entity poly seq.mon id: HIS

1,4853,44
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 44
entity poly seq.comp index id: 44
entity poly seq.mon id: GLY

1,4853,45
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 45
entity poly seq.comp index id: 45
entity poly seq.mon id: LEU

1,4853,46
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 46
entity poly seq.comp index id: 46
entity poly seq.mon id: ALA

1,4853,47
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 47
entity poly seq.comp index id: 47
entity poly seq.mon id: CYS

1,4853,48
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 48
entity poly seq.comp index id: 48
entity poly seq.mon id: TRP

1,4853,49
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 49
entity poly seq.comp index id: 49
entity poly seq.mon id: CYS

1,4853,50
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 50
entity poly seq.comp index id: 50
entity poly seq.mon id: ASN

1,4853,51
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 51
entity poly seq.comp index id: 51
entity poly seq.mon id: ALA

1,4853,52
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 52
entity poly seq.comp index id: 52
entity poly seq.mon id: LEU

1,4853,53
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 53
entity poly seq.comp index id: 53
entity poly seq.mon id: PRO

1,4853,54
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 54
entity poly seq.comp index id: 54
entity poly seq.mon id: ASP

1,4853,55
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 55
entity poly seq.comp index id: 55
entity poly seq.mon id: ASN

1,4853,56
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 56
entity poly seq.comp index id: 56
entity poly seq.mon id: VAL

1,4853,57
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 57
entity poly seq.comp index id: 57
entity poly seq.mon id: GLY

1,4853,58
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 58
entity poly seq.comp index id: 58
entity poly seq.mon id: ILE

1,4853,59
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 59
entity poly seq.comp index id: 59
entity poly seq.mon id: ILE

1,4853,60
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 60
entity poly seq.comp index id: 60
entity poly seq.mon id: VAL

1,4853,61
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 61
entity poly seq.comp index id: 61
entity poly seq.mon id: GLU

1,4853,62
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 62
entity poly seq.comp index id: 62
entity poly seq.mon id: GLY

1,4853,63
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 63
entity poly seq.comp index id: 63
entity poly seq.mon id: GLU

1,4853,64
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 64
entity poly seq.comp index id: 64
entity poly seq.mon id: LYS

1,4853,65
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 65
entity poly seq.comp index id: 65
entity poly seq.mon id: CYS

1,4853,66
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 66
entity poly seq.comp index id: 66
entity poly seq.mon id: HIS

1,4853,67
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 67
entity poly seq.comp index id: 67
entity poly seq.mon id: SER

1,4853,68
type: entity poly seq
of datablock: info:bmrb/4853
entity poly seq.entity id: 1
entity poly seq.entry id: 4853
entity poly seq.num: 68
entity poly seq.comp index id: 68
entity poly seq.mon id: NH2

4853,1
type: entry author
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
entry author.entry id: 4853
entry author.ordinal: 1
entry author.family name: Krimm
entry author.given name: I.
entry author.pdbx name: Krimm, I.

4853,2
type: entry author
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
entry author.entry id: 4853
entry author.ordinal: 2
entry author.family name: Trivelli
entry author.given name: X.
entry author.pdbx name: Trivelli, X.

4853,3
type: entry author
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
entry author.entry id: 4853
entry author.ordinal: 3
entry author.family name: Lancelin
entry author.given name: J.
entry author.middle initials: M.
entry author.pdbx name: Lancelin, J.M.

4853,1,1
type: experiment
of datablock: info:bmrb/4853
experiment.entry id: 4853
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 NOESY
experiment.nmr spec expt id: 1
experiment.nmr spec expt label: NMR_applied_experiment
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.sample condition list id: 1
experiment.sample condition list label: sample_cond_1
experiment.sample id: 0
experiment.sample state: isotropic

4853,1,2
type: experiment
of datablock: info:bmrb/4853
experiment.entry id: 4853
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 TOCSY
experiment.nmr spec expt id: 1
experiment.nmr spec expt label: NMR_applied_experiment
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.sample condition list id: 1
experiment.sample condition list label: sample_cond_1
experiment.sample id: 0
experiment.sample state: isotropic

4853,1,3
type: experiment
of datablock: info:bmrb/4853
experiment.entry id: 4853
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: DQF-COSY
experiment.nmr spec expt id: 1
experiment.nmr spec expt label: NMR_applied_experiment
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.sample condition list id: 1
experiment.sample condition list label: sample_cond_1
experiment.sample id: 0
experiment.sample state: isotropic

4853,1
type: experiment list
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
experiment list.entry id: 4853
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

4853,1
type: nmr spec expt
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
nmr spec expt.entry id: 4853
nmr spec expt.id: 1
nmr spec expt.method id: 0
nmr spec expt.name: na
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: spectrometer_1
nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
nmr spec expt.sf framecode: NMR_applied_experiment
nmr spec expt.software id: 0

4853,1
type: nmr spectrometer
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
nmr spectrometer.entry id: 4853
nmr spectrometer.id: 1
nmr spectrometer.field strength: 500
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance DRX
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: spectrometer_1

4853,1
type: nmr spectrometer list
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
nmr spectrometer list.entry id: 4853
nmr spectrometer list.id: 1
nmr spectrometer list.sf category: NMR_spectrometer_list
nmr spectrometer list.sf framecode: spectrometer_list

4853,1,spectrometer 1,1
type: nmr spectrometer view
of datablock: info:bmrb/4853
nmr spectrometer view.entry id: 4853
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 DRX

4853,1
type: release
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
release.entry id: 4853
release.release number: 1
release.author: BMRB
release.date: 2008-07-16Z
release.detail: Updating non-standard residue
release.type: update

4853,1
type: sample
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
sample.entry id: 4853
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.type: solution

4853,2
type: sample
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
sample.entry id: 4853
sample.id: 2
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_2
sample.type: solution

4853,1,1
type: sample component
of datablock: info:bmrb/4853
sample component.entry id: 4853
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: LqhIII
sample component.mol common name: LQH III ALPHA-LIKE TOXIN

4853,2,1
type: sample component
of datablock: info:bmrb/4853
sample component.entry id: 4853
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: phosphate

4853,3,1
type: sample component
of datablock: info:bmrb/4853
sample component.entry id: 4853
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.mol common name: H2O

4853,4,1
type: sample component
of datablock: info:bmrb/4853
sample component.entry id: 4853
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.mol common name: D2O

4853,5,2
type: sample component
of datablock: info:bmrb/4853
sample component.entry id: 4853
sample component.id: 5
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: LqhIII
sample component.mol common name: LQH III ALPHA-LIKE TOXIN

4853,6,2
type: sample component
of datablock: info:bmrb/4853
sample component.entry id: 4853
sample component.id: 6
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: phosphate

4853,7,2
type: sample component
of datablock: info:bmrb/4853
sample component.entry id: 4853
sample component.id: 7
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O

4853,1
type: sample condition list
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
sample condition list.entry id: 4853
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_cond_1

4853,1,pH
type: sample condition variable
of datablock: info:bmrb/4853
sample condition variable.entry id: 4853
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 5.8
sample condition variable.val err: 0.1

4853,1,temperature
type: sample condition variable
of datablock: info:bmrb/4853
sample condition variable.entry id: 4853
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 311
sample condition variable.val err: 0.1
sample condition variable.val units: K

4853,1,pressure
type: sample condition variable
of datablock: info:bmrb/4853
sample condition variable.entry id: 4853
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

4853,1
type: software
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
software.entry id: 4853
software.id: 1
software.name: GIFA
software.sf category: software
software.sf framecode: GIFA
software.version: 4.2

4853,2
type: software
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
software.entry id: 4853
software.id: 2
software.details: Bruker
software.name: xwinnmr
software.sf category: software
software.sf framecode: XWINNMR
software.version: NA

4853,3
type: software
of datablock: info:bmrb/4853
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4853/entry/4853
software.entry id: 4853
software.id: 3
software.details: Brunger
software.name: X-PLOR
software.sf category: software
software.sf framecode: X-PLOR
software.version: 3.851

2,4853,1
type: software citation
of datablock: info:bmrb/4853
software citation.citation id: 2
software citation.entry id: 4853
software citation.software id: 1
software citation.citation label: ref_1

4853,2,collection
type: task
of datablock: info:bmrb/4853
task.entry id: 4853
task.software id: 2
task.task: collection

4853,1,data analysis
type: task
of datablock: info:bmrb/4853
task.entry id: 4853
task.software id: 1
task.task: data analysis

4853,3,structure solution
type: task
of datablock: info:bmrb/4853
task.entry id: 4853
task.software id: 3
task.task: structure solution