info:bmrb.metabolomics/bmse000541
type: datablock
datablock name: bmse000541
has assembly category: assemblyCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has atom nomenclature category: atom nomenclatureCategory
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 citation category: chem comp citationCategory
has chem comp common name category: chem comp common nameCategory
has chem comp db link category: chem comp db linkCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp smiles category: chem comp smilesCategory
has chem comp systematic name category: chem comp systematic nameCategory
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 chem shift software category: chem shift softwareCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity comp index category: entity comp indexCategory
has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has entry src category: entry srcCategory
has experiment category: experimentCategory
has experiment file category: experiment fileCategory
has experiment list category: experiment listCategory
has nmr spectrometer category: nmr spectrometerCategory
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 spectral dim category: spectral dimCategory
has spectral transition category: spectral transitionCategory
has spectral transition char category: spectral transition charCategory
has spectral transition general char category: spectral transition general charCategory
has task category: taskCategory
has vendor category: vendorCategory

bmse000541,1
type: assembly
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
assembly.entry id: bmse000541
assembly.id: 1
assembly.name: 5-alpha-cholestan-3-beta-ol
assembly.non standard bonds: no
assembly.number of components: 1
assembly.organic ligands: 0
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly
assembly.thiol state: not reported

bmse000541
referenced by assembly: bmse000541,1
referenced by assigned chem shift list: bmse000541,1
referenced by chem comp: bmse000541,1
referenced by chem comp atom: O28,1,bmse000541
referenced by chem comp atom: C27,1,bmse000541
referenced by chem comp atom: C24,1,bmse000541
referenced by chem comp atom: C22,1,bmse000541
referenced by chem comp atom: C25,1,bmse000541
referenced by chem comp atom: C26,1,bmse000541
referenced by chem comp atom: C23,1,bmse000541
referenced by chem comp atom: C16,1,bmse000541
referenced by chem comp atom: C20,1,bmse000541
referenced by chem comp atom: C14,1,bmse000541
referenced by chem comp atom: C12,1,bmse000541
referenced by chem comp atom: C10,1,bmse000541
referenced by chem comp atom: C11,1,bmse000541
referenced by chem comp atom: C9,1,bmse000541
referenced by chem comp atom: C15,1,bmse000541
referenced by chem comp atom: C5,1,bmse000541
referenced by chem comp atom: C19,1,bmse000541
referenced by chem comp atom: C17,1,bmse000541
referenced by chem comp atom: C4,1,bmse000541
referenced by chem comp atom: C13,1,bmse000541
referenced by chem comp atom: C21,1,bmse000541
referenced by chem comp atom: C8,1,bmse000541
referenced by chem comp atom: C3,1,bmse000541
referenced by chem comp atom: C6,1,bmse000541
referenced by chem comp atom: C7,1,bmse000541
referenced by chem comp atom: C18,1,bmse000541
referenced by chem comp atom: C1,1,bmse000541
referenced by chem comp atom: C2,1,bmse000541
referenced by chem comp atom: H74,1,bmse000541
referenced by chem comp atom: H72,1,bmse000541
referenced by chem comp atom: H75,1,bmse000541
referenced by chem comp atom: H73,1,bmse000541
referenced by chem comp atom: H64,1,bmse000541
referenced by chem comp atom: H65,1,bmse000541
referenced by chem comp atom: H70,1,bmse000541
referenced by chem comp atom: H60,1,bmse000541
referenced by chem comp atom: H61,1,bmse000541
referenced by chem comp atom: H56,1,bmse000541
referenced by chem comp atom: H57,1,bmse000541
referenced by chem comp atom: H52,1,bmse000541
referenced by chem comp atom: H53,1,bmse000541
referenced by chem comp atom: H54,1,bmse000541
referenced by chem comp atom: H55,1,bmse000541
referenced by chem comp atom: H50,1,bmse000541
referenced by chem comp atom: H51,1,bmse000541
referenced by chem comp atom: H62,1,bmse000541
referenced by chem comp atom: H63,1,bmse000541
referenced by chem comp atom: H41,1,bmse000541
referenced by chem comp atom: H43,1,bmse000541
referenced by chem comp atom: H42,1,bmse000541
referenced by chem comp atom: H69,1,bmse000541
referenced by chem comp atom: H66,1,bmse000541
referenced by chem comp atom: H67,1,bmse000541
referenced by chem comp atom: H38,1,bmse000541
referenced by chem comp atom: H39,1,bmse000541
referenced by chem comp atom: H40,1,bmse000541
referenced by chem comp atom: H58,1,bmse000541
referenced by chem comp atom: H59,1,bmse000541
referenced by chem comp atom: H71,1,bmse000541
referenced by chem comp atom: H48,1,bmse000541
referenced by chem comp atom: H49,1,bmse000541
referenced by chem comp atom: H37,1,bmse000541
referenced by chem comp atom: H36,1,bmse000541
referenced by chem comp atom: H35,1,bmse000541
referenced by chem comp atom: H44,1,bmse000541
referenced by chem comp atom: H45,1,bmse000541
referenced by chem comp atom: H76,1,bmse000541
referenced by chem comp atom: H46,1,bmse000541
referenced by chem comp atom: H47,1,bmse000541
referenced by chem comp atom: H68,1,bmse000541
referenced by chem comp atom: H31,1,bmse000541
referenced by chem comp atom: H29,1,bmse000541
referenced by chem comp atom: H30,1,bmse000541
referenced by chem comp atom: H32,1,bmse000541
referenced by chem comp atom: H34,1,bmse000541
referenced by chem comp atom: H33,1,bmse000541
referenced by chem shift reference: bmse000541,1

bmse000541,1
type: assigned chem shift list
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
assigned chem shift list.entry id: bmse000541
assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chem_shift_reference
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_conditions_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: assigned_chemical_shifts

1,bmse000541,1
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 1
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,2
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 2
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,3
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 3
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,4
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 4
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,5
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 5
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,6
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 6
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,7
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 7
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,8
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 8
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,9
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 9
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,10
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 10
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,11
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 11
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,12
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 12
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,13
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 13
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,14
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 14
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C27
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C2
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,15
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 15
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C24
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C3
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 56.707

1,bmse000541,16
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 16
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C24
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C3
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 56.494

1,bmse000541,17
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 17
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C22
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C4
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 35.687

1,bmse000541,18
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 18
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C25
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C5
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 54.568

1,bmse000541,19
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 19
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C25
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C5
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 45.063

1,bmse000541,20
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 20
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,21
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 21
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,22
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 22
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,23
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 23
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,24
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 24
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,25
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 25
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,26
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 26
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,27
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 27
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,28
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 28
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,29
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 29
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,30
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 30
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,31
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 31
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,32
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 32
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,33
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 33
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C26
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C6
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,34
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 34
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C23
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C7
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 56.707

1,bmse000541,35
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 35
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C23
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C7
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 56.494

1,bmse000541,36
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 36
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,37
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 37
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,38
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 38
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,39
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 39
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,40
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 40
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,41
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 41
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,42
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 42
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,43
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 43
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,44
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 44
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,45
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 45
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,46
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 46
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,47
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 47
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,48
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 48
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,49
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 49
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C16
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,50
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 50
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C20
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C9
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 54.568

1,bmse000541,51
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 51
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C20
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C9
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 45.063

1,bmse000541,52
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 52
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,53
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 53
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,54
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 54
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,55
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 55
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,56
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 56
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,57
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 57
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,58
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 58
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,59
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 59
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,60
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 60
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,61
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 61
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,62
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 62
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,63
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 63
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,64
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 64
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,65
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 65
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C14
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C10
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,66
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 66
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,67
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 67
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,68
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 68
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,69
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 69
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,70
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 70
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,71
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 71
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,72
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 72
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,73
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 73
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,74
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 74
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,75
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 75
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,76
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 76
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,77
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 77
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,78
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 78
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,79
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 79
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C12
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C11
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,80
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 80
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,81
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 81
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,82
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 82
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,83
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 83
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,84
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 84
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,85
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 85
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,86
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 86
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,87
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 87
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,88
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 88
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,89
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 89
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,90
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 90
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,91
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 91
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,92
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 92
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,93
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 93
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C10
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C12
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,94
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 94
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,95
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 95
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,96
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 96
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,97
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 97
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,98
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 98
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,99
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 99
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,100
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 100
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,101
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 101
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,102
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 102
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,103
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 103
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,104
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 104
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,105
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 105
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,106
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 106
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,107
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 107
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C11
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C13
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,108
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 108
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,109
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 109
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,110
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 110
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,111
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 111
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,112
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 112
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,113
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 113
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,114
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 114
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,115
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 115
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,116
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 116
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,117
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 117
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,118
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 118
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,119
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 119
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,120
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 120
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,121
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 121
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C9
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C14
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,122
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 122
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,123
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 123
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,124
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 124
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,125
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 125
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,126
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 126
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,127
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 127
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,128
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 128
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,129
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 129
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,130
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 130
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,131
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 131
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,132
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 132
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,133
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 133
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,134
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 134
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,135
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 135
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C15
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C15
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,136
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 136
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C5
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C16
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 12.282

1,bmse000541,137
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 137
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C19
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C17
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 35.687

1,bmse000541,138
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 138
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,139
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 139
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,140
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 140
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,141
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 141
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,142
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 142
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,143
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 143
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,144
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 144
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,145
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 145
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,146
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 146
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,147
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 147
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,148
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 148
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,149
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 149
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,150
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 150
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,151
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 151
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C17
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C18
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,152
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 152
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C4
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C19
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 12.536

1,bmse000541,153
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 153
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,154
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 154
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,155
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 155
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,156
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 156
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,157
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 157
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,158
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 158
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,159
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 159
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,160
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 160
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,161
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 161
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,162
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 162
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,163
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 163
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,164
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 164
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,165
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 165
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,166
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 166
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C13
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C20
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,167
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 167
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C21
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C21
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 71.585

1,bmse000541,168
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 168
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,169
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 169
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,170
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 170
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,171
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 171
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,172
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 172
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,173
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 173
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,174
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 174
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,175
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 175
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,176
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 176
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,177
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 177
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,178
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 178
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,179
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 179
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,180
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 180
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,181
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 181
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C22
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,182
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 182
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C3
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C23
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 18.88

1,bmse000541,183
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 183
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,184
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 184
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,185
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 185
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,186
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 186
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,187
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 187
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,188
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 188
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,189
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 189
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,190
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 190
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,191
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 191
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,192
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 192
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,193
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 193
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,194
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 194
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,195
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 195
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,196
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 196
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C6
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C24
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,197
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 197
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 42.802

1,bmse000541,198
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 198
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 40.249

1,bmse000541,199
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 199
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 39.727

1,bmse000541,200
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 200
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 38.421

1,bmse000541,201
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 201
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 37.216

1,bmse000541,202
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 202
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.385

1,bmse000541,203
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 203
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 36.007

1,bmse000541,204
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 204
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 32.299

1,bmse000541,205
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 205
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 31.727

1,bmse000541,206
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 206
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.951

1,bmse000541,207
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 207
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.462

1,bmse000541,208
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 208
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.432

1,bmse000541,209
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 209
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 24.049

1,bmse000541,210
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 210
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C7
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C25
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 21.470

1,bmse000541,211
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 211
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C18
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C26
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 28.219

1,bmse000541,212
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 212
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C27
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 23.034

1,bmse000541,213
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 213
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C27
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 22.780

1,bmse000541,214
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 214
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C28
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 23.034

1,bmse000541,215
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 215
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C28
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 22.780

1,bmse000541,216
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 216
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H74
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,217
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 217
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H74
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,218
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 218
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H74
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,219
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 219
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H74
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,220
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 220
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H74
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,221
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 221
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H74
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,222
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 222
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,223
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 223
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,224
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 224
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,225
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 225
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,226
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 226
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,227
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 227
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H72
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,228
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 228
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H75
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,229
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 229
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H75
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,230
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 230
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H75
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,231
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 231
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H75
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,232
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 232
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H75
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,233
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 233
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H75
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,234
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 234
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H32
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,235
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 235
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H32
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,236
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 236
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H32
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,237
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 237
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H32
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,238
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 238
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H32
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,239
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 239
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H73
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H32
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,240
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 240
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H64
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H33
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,241
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 241
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H64
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H33
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,242
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 242
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H64
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H33
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,243
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 243
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H64
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H33
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,244
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 244
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H64
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H33
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,245
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 245
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H64
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H33
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,246
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 246
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H65
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H34
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,247
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 247
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H65
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H34
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,248
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 248
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H65
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H34
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,249
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 249
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H65
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H34
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,250
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 250
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H65
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H34
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,251
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 251
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H65
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H34
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,252
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 252
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H70
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H35
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,253
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 253
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H70
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H35
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,254
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 254
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H70
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H35
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,255
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 255
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H70
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H35
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,256
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 256
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H70
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H35
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,257
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 257
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H70
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H35
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,258
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 258
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H60
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H36
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,259
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 259
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H60
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H36
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,260
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 260
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H60
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H36
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,261
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 261
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H60
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H36
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,262
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 262
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H60
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H36
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,263
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 263
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H60
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H36
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,264
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 264
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H61
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H37
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,265
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 265
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H61
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H37
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,266
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 266
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H61
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H37
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,267
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 267
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H61
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H37
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,268
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 268
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H61
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H37
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,269
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 269
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H61
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H37
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,270
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 270
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H56
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H38
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,271
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 271
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H56
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H38
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,272
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 272
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H56
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H38
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,273
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 273
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H56
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H38
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,274
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 274
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H56
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H38
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,275
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 275
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H56
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H38
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,276
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 276
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H57
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H39
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,277
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 277
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H57
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H39
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,278
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 278
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H57
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H39
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,279
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 279
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H57
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H39
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,280
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 280
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H57
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H39
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,281
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 281
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H57
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H39
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,282
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 282
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H52
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H40
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,283
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 283
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H52
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H40
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,284
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 284
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H52
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H40
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,285
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 285
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H52
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H40
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,286
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 286
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H52
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H40
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,287
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 287
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H52
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H40
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,288
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 288
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H53
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H41
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,289
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 289
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H53
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H41
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,290
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 290
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H53
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H41
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,291
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 291
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H53
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H41
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,292
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 292
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H53
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H41
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,293
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 293
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H53
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H41
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,294
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 294
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H54
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H42
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,295
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 295
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H54
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H42
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,296
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 296
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H54
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H42
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,297
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 297
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H54
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H42
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,298
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 298
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H54
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H42
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,299
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 299
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H54
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H42
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,300
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 300
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H55
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H43
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,301
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 301
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H55
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H43
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,302
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 302
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H55
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H43
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,303
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 303
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H55
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H43
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,304
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 304
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H55
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H43
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,305
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 305
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H55
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H43
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,306
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 306
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H50
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H44
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,307
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 307
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H50
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H44
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,308
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 308
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H50
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H44
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,309
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 309
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H50
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H44
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,310
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 310
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H50
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H44
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,311
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 311
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H50
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H44
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,312
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 312
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H51
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H45
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,313
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 313
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H51
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H45
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,314
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 314
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H51
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H45
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,315
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 315
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H51
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H45
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,316
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 316
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H51
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H45
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,317
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 317
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H51
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H45
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,318
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 318
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H62
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H46
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,319
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 319
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H62
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H46
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,320
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 320
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H62
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H46
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,321
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 321
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H62
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H46
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,322
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 322
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H62
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H46
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,323
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 323
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H62
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H46
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,324
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 324
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H63
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H47
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,325
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 325
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H63
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H47
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,326
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 326
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H63
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H47
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,327
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 327
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H63
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H47
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,328
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 328
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H63
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H47
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,329
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 329
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H63
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H47
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,330
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 330
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H41
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H48
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.646

1,bmse000541,331
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H43
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H49
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.646

1,bmse000541,332
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 332
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H42
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H50
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.646

1,bmse000541,333
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 333
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H69
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H51
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,334
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 334
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H69
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H51
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,335
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 335
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H69
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H51
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,336
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 336
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H69
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H51
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,337
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 337
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H69
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H51
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,338
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 338
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H69
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H51
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,339
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 339
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H66
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H52
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,340
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 340
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H66
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H52
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,341
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 341
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H66
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H52
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,342
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 342
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H66
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H52
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,343
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 343
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H66
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H52
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,344
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 344
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H66
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H52
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,345
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 345
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H67
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H53
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,346
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 346
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H67
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H53
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,347
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 347
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H67
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H53
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,348
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 348
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H67
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H53
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,349
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 349
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H67
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H53
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,350
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 350
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H67
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H53
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,351
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 351
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H38
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H54
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.8

1,bmse000541,352
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 352
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H39
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H55
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.8

1,bmse000541,353
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 353
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H40
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H56
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.8

1,bmse000541,354
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 354
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H58
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H57
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,355
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 355
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H58
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H57
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,356
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 356
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H58
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H57
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,357
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 357
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H58
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H57
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,358
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 358
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H58
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H57
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,359
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 359
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H58
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H57
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,360
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 360
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H59
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H58
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,361
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 361
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H59
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H58
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,362
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 362
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H59
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H58
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,363
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 363
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H59
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H58
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,364
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 364
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H59
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H58
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,365
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 365
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H59
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H58
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,366
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 366
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H71
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H59
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 3.585

1,bmse000541,367
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 367
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H48
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H60
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.897

1,bmse000541,368
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 368
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H49
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H61
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.897

1,bmse000541,369
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 369
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H37
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H62
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.897

1,bmse000541,370
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 370
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H36
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H63
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,371
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 371
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H36
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H63
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,372
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 372
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H36
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H63
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,373
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 373
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H36
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H63
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,374
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 374
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H36
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H63
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,375
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 375
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H36
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H63
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,376
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 376
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H35
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H64
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,377
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 377
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H35
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H64
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,378
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 378
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H35
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H64
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,379
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 379
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H35
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H64
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,380
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 380
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H35
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H64
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,381
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 381
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H35
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H64
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,382
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 382
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H44
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H65
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,383
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 383
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H44
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H65
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,384
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 384
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H44
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H65
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,385
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 385
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H44
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H65
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,386
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 386
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H44
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H65
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,387
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 387
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H44
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H65
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,388
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 388
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H45
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H66
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,389
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 389
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H45
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H66
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,390
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 390
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H45
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H66
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,391
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 391
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H45
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H66
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,392
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 392
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H45
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H66
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,393
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 393
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H45
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H66
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,394
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 394
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H76
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H67
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,395
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 395
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H76
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H67
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,396
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 396
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H76
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H67
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,397
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 397
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H76
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H67
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,398
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 398
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H76
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H67
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,399
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 399
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H76
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H67
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,400
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 400
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H46
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H68
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,401
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 401
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H46
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H68
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,402
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 402
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H46
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H68
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,403
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 403
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H46
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H68
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,404
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 404
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H46
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H68
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,405
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 405
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H46
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H68
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,406
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 406
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H47
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H69
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,407
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 407
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H47
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H69
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,408
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 408
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H47
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H69
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,409
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 409
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H47
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H69
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,410
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 410
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H47
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H69
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,411
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 411
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H47
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H69
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,412
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 412
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H68
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H70
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.962

1,bmse000541,413
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 413
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H68
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H70
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.795

1,bmse000541,414
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 414
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H68
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H70
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.676

1,bmse000541,415
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 415
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H68
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H70
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.512

1,bmse000541,416
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 416
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H68
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H70
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.295

1,bmse000541,417
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 417
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H68
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H70
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 1.048

1,bmse000541,418
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 418
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H31
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H71
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.861

1,bmse000541,419
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 419
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H29
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H72
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.861

1,bmse000541,420
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 420
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H30
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H73
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.861

1,bmse000541,421
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 421
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H32
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H74
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.861

1,bmse000541,422
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 422
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H34
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H75
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.861

1,bmse000541,423
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000541
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000541
atom chem shift.id: 423
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H33
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H76
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.861

O28,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: O28
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: O1
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: O28
atom nomenclature.naming system: ALATIS

C27,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C27
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C2
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C27
atom nomenclature.naming system: ALATIS

C24,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C24
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C3
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C24
atom nomenclature.naming system: ALATIS

C22,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C22
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C4
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C22
atom nomenclature.naming system: ALATIS

C25,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C25
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C5
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C25
atom nomenclature.naming system: ALATIS

C26,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C26
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C6
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C26
atom nomenclature.naming system: ALATIS

C23,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C23
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C7
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C23
atom nomenclature.naming system: ALATIS

C16,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C16
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C8
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C16
atom nomenclature.naming system: ALATIS

C20,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C20
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C9
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C20
atom nomenclature.naming system: ALATIS

C14,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C14
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C10
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C14
atom nomenclature.naming system: ALATIS

C12,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C12
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C11
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C12
atom nomenclature.naming system: ALATIS

C10,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C10
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C12
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C10
atom nomenclature.naming system: ALATIS

C11,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C11
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C13
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C11
atom nomenclature.naming system: ALATIS

C9,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C9
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C14
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C9
atom nomenclature.naming system: ALATIS

C15,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C15
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C15
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

C5,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C5
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C16
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C5
atom nomenclature.naming system: ALATIS

C19,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C19
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C17
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C19
atom nomenclature.naming system: ALATIS

C17,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C17
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C18
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C17
atom nomenclature.naming system: ALATIS

C4,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C4
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C19
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C4
atom nomenclature.naming system: ALATIS

C13,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C13
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C20
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C13
atom nomenclature.naming system: ALATIS

C21,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C21
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C21
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

C8,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C8
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C22
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C8
atom nomenclature.naming system: ALATIS

C3,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C3
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C23
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C3
atom nomenclature.naming system: ALATIS

C6,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C6
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C24
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C6
atom nomenclature.naming system: ALATIS

C7,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C7
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C25
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C7
atom nomenclature.naming system: ALATIS

C18,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C18
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C26
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C18
atom nomenclature.naming system: ALATIS

C1,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C1
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C27
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C1
atom nomenclature.naming system: ALATIS

C2,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: C2
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: C28
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C2
atom nomenclature.naming system: ALATIS

H74,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H74
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H29
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H74
atom nomenclature.naming system: ALATIS

H72,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H72
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H30
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H72
atom nomenclature.naming system: ALATIS

H75,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H75
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H31
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H75
atom nomenclature.naming system: ALATIS

H73,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H73
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H32
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H73
atom nomenclature.naming system: ALATIS

H64,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H64
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H33
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H64
atom nomenclature.naming system: ALATIS

H65,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H65
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H34
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H65
atom nomenclature.naming system: ALATIS

H70,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H70
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H35
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H70
atom nomenclature.naming system: ALATIS

H60,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H60
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H36
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H60
atom nomenclature.naming system: ALATIS

H61,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H61
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H37
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H61
atom nomenclature.naming system: ALATIS

H56,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H56
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H38
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H56
atom nomenclature.naming system: ALATIS

H57,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H57
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H39
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H57
atom nomenclature.naming system: ALATIS

H52,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H52
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H40
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H52
atom nomenclature.naming system: ALATIS

H53,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H53
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H41
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H53
atom nomenclature.naming system: ALATIS

H54,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H54
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H42
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H54
atom nomenclature.naming system: ALATIS

H55,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H55
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H43
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H55
atom nomenclature.naming system: ALATIS

H50,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H50
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H44
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H50
atom nomenclature.naming system: ALATIS

H51,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H51
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H45
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H51
atom nomenclature.naming system: ALATIS

H62,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H62
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H46
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H62
atom nomenclature.naming system: ALATIS

H63,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H63
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H47
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H63
atom nomenclature.naming system: ALATIS

H41,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H41
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H48
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H41
atom nomenclature.naming system: ALATIS

H43,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H43
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H49
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H43
atom nomenclature.naming system: ALATIS

H42,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H42
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H50
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H42
atom nomenclature.naming system: ALATIS

H69,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H69
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H51
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H69
atom nomenclature.naming system: ALATIS

H66,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H66
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H52
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H66
atom nomenclature.naming system: ALATIS

H67,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H67
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H53
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H67
atom nomenclature.naming system: ALATIS

H38,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H38
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H54
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H38
atom nomenclature.naming system: ALATIS

H39,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H39
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H55
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H39
atom nomenclature.naming system: ALATIS

H40,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H40
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H56
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H40
atom nomenclature.naming system: ALATIS

H58,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H58
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H57
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H58
atom nomenclature.naming system: ALATIS

H59,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H59
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H58
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H59
atom nomenclature.naming system: ALATIS

H71,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H71
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H59
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H71
atom nomenclature.naming system: ALATIS

H48,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H48
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H60
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H48
atom nomenclature.naming system: ALATIS

H49,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H49
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H61
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H49
atom nomenclature.naming system: ALATIS

H37,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H37
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H62
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H37
atom nomenclature.naming system: ALATIS

H36,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H36
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H63
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H36
atom nomenclature.naming system: ALATIS

H35,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H35
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H64
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H35
atom nomenclature.naming system: ALATIS

H44,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H44
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H65
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H44
atom nomenclature.naming system: ALATIS

H45,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H45
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H66
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H45
atom nomenclature.naming system: ALATIS

H76,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H76
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H67
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H76
atom nomenclature.naming system: ALATIS

H46,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H46
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H68
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H46
atom nomenclature.naming system: ALATIS

H47,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H47
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H69
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H47
atom nomenclature.naming system: ALATIS

H68,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H68
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H70
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H68
atom nomenclature.naming system: ALATIS

H31,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H31
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H71
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H31
atom nomenclature.naming system: ALATIS

H29,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H29
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H72
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H29
atom nomenclature.naming system: ALATIS

H30,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H30
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H73
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H30
atom nomenclature.naming system: ALATIS

H32,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H32
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H74
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H32
atom nomenclature.naming system: ALATIS

H34,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H34
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H75
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H34
atom nomenclature.naming system: ALATIS

H33,1,bmse000541
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000541
atom nomenclature.atom id: H33
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000541
atom nomenclature.atom name: H76
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H33
atom nomenclature.naming system: ALATIS

bmse000541,1
type: chem comp
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp.entry id: bmse000541
chem comp.id: 1
chem comp.aromatic: no
chem comp.bmrb code: bmse000541
chem comp.formula: C27 H48 O
chem comp.formula mono iso wt 13c: 415.4611
chem comp.formula mono iso wt 13c 15n: 415.4611
chem comp.formula mono iso wt 15n: 388.3705
chem comp.formula mono iso wt nat: 388.3705
chem comp.formula weight: 388.6694
chem comp.image file format: png
chem comp.image file name: bmse000541.png
chem comp.inchi code: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
chem comp.name: 5-alpha-cholestan-3-beta-ol
chem comp.paramagnetic: no
chem comp.provenance: PubChem
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_1
chem comp.struct file format: mol
chem comp.struct file name: bmse000541.mol
chem comp.type: NON-POLYMER

O28,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: O28
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 2.5357
chem comp atom.drawing 2d coord y: -3.6598
chem comp atom.pdbx ordinal: 1
chem comp atom.type symbol: O

C27,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C27
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: -0.6074
chem comp atom.pdbx ordinal: 2
chem comp atom.type symbol: C

C24,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C24
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: -1.6074
chem comp atom.pdbx ordinal: 3
chem comp atom.type symbol: C

C22,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C22
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.0628
chem comp atom.drawing 2d coord y: -2.1074
chem comp atom.pdbx ordinal: 4
chem comp atom.type symbol: C

C25,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C25
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 6.1968
chem comp atom.drawing 2d coord y: -1.6074
chem comp atom.pdbx ordinal: 5
chem comp atom.type symbol: C

C26,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C26
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.2868
chem comp atom.drawing 2d coord y: -2.1143
chem comp atom.pdbx ordinal: 6
chem comp atom.type symbol: C

C23,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C23
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.8750
chem comp atom.drawing 2d coord y: -0.3027
chem comp atom.pdbx ordinal: 7
chem comp atom.type symbol: C

C16,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C16
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.0628
chem comp atom.drawing 2d coord y: -0.1074
chem comp atom.pdbx ordinal: 8
chem comp atom.type symbol: C

C20,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C20
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.2787
chem comp atom.drawing 2d coord y: -3.1559
chem comp atom.pdbx ordinal: 9
chem comp atom.type symbol: C

C14,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C14
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 6.1968
chem comp atom.drawing 2d coord y: -0.6074
chem comp atom.pdbx ordinal: 10
chem comp atom.type symbol: C

C12,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C12
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.8750
chem comp atom.drawing 2d coord y: -1.9122
chem comp atom.pdbx ordinal: 11
chem comp atom.type symbol: C

C10,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C10
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.0789
chem comp atom.drawing 2d coord y: -3.1489
chem comp atom.pdbx ordinal: 12
chem comp atom.type symbol: C

C11,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C11
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.4586
chem comp atom.drawing 2d coord y: -1.1074
chem comp atom.pdbx ordinal: 13
chem comp atom.type symbol: C

C9,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C9
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 6.1808
chem comp atom.drawing 2d coord y: -3.6767
chem comp atom.pdbx ordinal: 14
chem comp atom.type symbol: C

C15,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C15
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 4.3599
chem comp atom.drawing 2d coord y: -1.5502
chem comp atom.pdbx ordinal: 15
chem comp atom.type symbol: C

C5,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C5
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: 0.3926
chem comp atom.pdbx ordinal: 16
chem comp atom.type symbol: C

C19,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C19
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.1857
chem comp atom.drawing 2d coord y: 0.6478
chem comp atom.pdbx ordinal: 17
chem comp atom.type symbol: C

C17,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C17
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 4.3433
chem comp atom.drawing 2d coord y: -3.7056
chem comp atom.pdbx ordinal: 18
chem comp atom.type symbol: C

C4,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C4
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.2945
chem comp atom.drawing 2d coord y: -1.1143
chem comp atom.pdbx ordinal: 19
chem comp atom.type symbol: C

C13,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C13
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 3.4120
chem comp atom.drawing 2d coord y: -2.0781
chem comp atom.pdbx ordinal: 20
chem comp atom.type symbol: C

C21,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C21
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 3.4037
chem comp atom.drawing 2d coord y: -3.1631
chem comp atom.pdbx ordinal: 21
chem comp atom.type symbol: C

C8,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C8
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 10.1642
chem comp atom.drawing 2d coord y: 0.8540
chem comp atom.pdbx ordinal: 22
chem comp atom.type symbol: C

C3,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C3
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.5179
chem comp atom.drawing 2d coord y: 1.3921
chem comp atom.pdbx ordinal: 23
chem comp atom.type symbol: C

C6,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C6
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 10.4749
chem comp atom.drawing 2d coord y: 1.8046
chem comp atom.pdbx ordinal: 24
chem comp atom.type symbol: C

C7,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C7
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 11.4534
chem comp atom.drawing 2d coord y: 2.0108
chem comp atom.pdbx ordinal: 25
chem comp atom.type symbol: C

C18,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C18
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 11.7640
chem comp atom.drawing 2d coord y: 2.9613
chem comp atom.pdbx ordinal: 26
chem comp atom.type symbol: C

C1,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C1
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 11.0962
chem comp atom.drawing 2d coord y: 3.7056
chem comp atom.pdbx ordinal: 27
chem comp atom.type symbol: C

C2,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: C2
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 12.7425
chem comp atom.drawing 2d coord y: 3.1675
chem comp atom.pdbx ordinal: 28
chem comp atom.type symbol: C

H74,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H74
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.0135
chem comp atom.drawing 2d coord y: -2.4029
chem comp atom.pdbx ordinal: 29
chem comp atom.type symbol: H

H72,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H72
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.7587
chem comp atom.drawing 2d coord y: -2.5021
chem comp atom.pdbx ordinal: 30
chem comp atom.type symbol: H

H75,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H75
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 6.8896
chem comp atom.drawing 2d coord y: -1.2074
chem comp atom.pdbx ordinal: 31
chem comp atom.type symbol: H

H73,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H73
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.6654
chem comp atom.drawing 2d coord y: -0.1786
chem comp atom.pdbx ordinal: 32
chem comp atom.type symbol: H

H64,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H64
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 6.6643
chem comp atom.drawing 2d coord y: 0.3675
chem comp atom.pdbx ordinal: 33
chem comp atom.type symbol: H

H65,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H65
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.4613
chem comp atom.drawing 2d coord y: 0.3675
chem comp atom.pdbx ordinal: 34
chem comp atom.type symbol: H

H70,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H70
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.2818
chem comp atom.drawing 2d coord y: -3.9559
chem comp atom.pdbx ordinal: 35
chem comp atom.type symbol: H

H60,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H60
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.9847
chem comp atom.drawing 2d coord y: -0.0248
chem comp atom.pdbx ordinal: 36
chem comp atom.type symbol: H

H61,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H61
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.5862
chem comp atom.drawing 2d coord y: -0.7151
chem comp atom.pdbx ordinal: 37
chem comp atom.type symbol: H

H56,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H56
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.6240
chem comp atom.drawing 2d coord y: -2.4791
chem comp atom.pdbx ordinal: 38
chem comp atom.type symbol: H

H57,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H57
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.4124
chem comp atom.drawing 2d coord y: -2.2214
chem comp atom.pdbx ordinal: 39
chem comp atom.type symbol: H

H52,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H52
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.2969
chem comp atom.drawing 2d coord y: -3.7293
chem comp atom.pdbx ordinal: 40
chem comp atom.type symbol: H

H53,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H53
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.6880
chem comp atom.drawing 2d coord y: -3.0334
chem comp atom.pdbx ordinal: 41
chem comp atom.type symbol: H

H54,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H54
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.9195
chem comp atom.drawing 2d coord y: -1.5222
chem comp atom.pdbx ordinal: 42
chem comp atom.type symbol: H

H55,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H55
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.9195
chem comp atom.drawing 2d coord y: -0.6927
chem comp atom.pdbx ordinal: 43
chem comp atom.type symbol: H

H50,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H50
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.7835
chem comp atom.drawing 2d coord y: -4.1527
chem comp atom.pdbx ordinal: 44
chem comp atom.type symbol: H

H51,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H51
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 6.5818
chem comp atom.drawing 2d coord y: -4.1496
chem comp atom.pdbx ordinal: 45
chem comp atom.type symbol: H

H62,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H62
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 4.7681
chem comp atom.drawing 2d coord y: -1.0835
chem comp atom.pdbx ordinal: 46
chem comp atom.type symbol: H

H63,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H63
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 3.9700
chem comp atom.drawing 2d coord y: -1.0682
chem comp atom.pdbx ordinal: 47
chem comp atom.type symbol: H

H41,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H41
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.3088
chem comp atom.drawing 2d coord y: 0.3926
chem comp atom.pdbx ordinal: 48
chem comp atom.type symbol: H

H43,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H43
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 7.9288
chem comp atom.drawing 2d coord y: 1.0126
chem comp atom.pdbx ordinal: 49
chem comp atom.type symbol: H

H42,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H42
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.5488
chem comp atom.drawing 2d coord y: 0.3926
chem comp atom.pdbx ordinal: 50
chem comp atom.type symbol: H

H69,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H69
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.3783
chem comp atom.drawing 2d coord y: 1.2371
chem comp atom.pdbx ordinal: 51
chem comp atom.type symbol: H

H66,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H66
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 3.9460
chem comp atom.drawing 2d coord y: -4.1816
chem comp atom.pdbx ordinal: 52
chem comp atom.type symbol: H

H67,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H67
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 4.7443
chem comp atom.drawing 2d coord y: -4.1785
chem comp atom.pdbx ordinal: 53
chem comp atom.type symbol: H

H38,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H38
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 4.6745
chem comp atom.drawing 2d coord y: -1.1095
chem comp atom.pdbx ordinal: 54
chem comp atom.type symbol: H

H39,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H39
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.2993
chem comp atom.drawing 2d coord y: -0.4943
chem comp atom.pdbx ordinal: 55
chem comp atom.type symbol: H

H40,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H40
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 5.9145
chem comp atom.drawing 2d coord y: -1.1191
chem comp atom.pdbx ordinal: 56
chem comp atom.type symbol: H

H58,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H58
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 3.2075
chem comp atom.drawing 2d coord y: -1.4929
chem comp atom.pdbx ordinal: 57
chem comp atom.type symbol: H

H59,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H59
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 2.8004
chem comp atom.drawing 2d coord y: -2.1795
chem comp atom.pdbx ordinal: 58
chem comp atom.type symbol: H

H71,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H71
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 3.4025
chem comp atom.drawing 2d coord y: -3.7831
chem comp atom.pdbx ordinal: 59
chem comp atom.type symbol: H

H48,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H48
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 10.1848
chem comp atom.drawing 2d coord y: 0.2344
chem comp atom.pdbx ordinal: 60
chem comp atom.type symbol: H

H49,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H49
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 10.7780
chem comp atom.drawing 2d coord y: 0.7667
chem comp atom.pdbx ordinal: 61
chem comp atom.type symbol: H

H37,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H37
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.9793
chem comp atom.drawing 2d coord y: 1.8062
chem comp atom.pdbx ordinal: 62
chem comp atom.type symbol: H

H36,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H36
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.1038
chem comp atom.drawing 2d coord y: 1.8536
chem comp atom.pdbx ordinal: 63
chem comp atom.type symbol: H

H35,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H35
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 8.0564
chem comp atom.drawing 2d coord y: 0.9781
chem comp atom.pdbx ordinal: 64
chem comp atom.type symbol: H

H44,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H44
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 10.4543
chem comp atom.drawing 2d coord y: 2.4242
chem comp atom.pdbx ordinal: 65
chem comp atom.type symbol: H

H45,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H45
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 9.8611
chem comp atom.drawing 2d coord y: 1.8919
chem comp atom.pdbx ordinal: 66
chem comp atom.type symbol: H

H76,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H76
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 2.0000
chem comp atom.drawing 2d coord y: -3.3477
chem comp atom.pdbx ordinal: 67
chem comp atom.type symbol: H

H46,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H46
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 11.4739
chem comp atom.drawing 2d coord y: 1.3911
chem comp atom.pdbx ordinal: 68
chem comp atom.type symbol: H

H47,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H47
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 12.0672
chem comp atom.drawing 2d coord y: 1.9234
chem comp atom.pdbx ordinal: 69
chem comp atom.type symbol: H

H68,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H68
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 12.1781
chem comp atom.drawing 2d coord y: 2.4998
chem comp atom.pdbx ordinal: 70
chem comp atom.type symbol: H

H31,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H31
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 11.5577
chem comp atom.drawing 2d coord y: 4.1197
chem comp atom.pdbx ordinal: 71
chem comp atom.type symbol: H

H29,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H29
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 10.6821
chem comp atom.drawing 2d coord y: 4.1671
chem comp atom.pdbx ordinal: 72
chem comp atom.type symbol: H

H30,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H30
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 10.6347
chem comp atom.drawing 2d coord y: 3.2915
chem comp atom.pdbx ordinal: 73
chem comp atom.type symbol: H

H32,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H32
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 12.8704
chem comp atom.drawing 2d coord y: 2.5608
chem comp atom.pdbx ordinal: 74
chem comp atom.type symbol: H

H34,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H34
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 13.3492
chem comp atom.drawing 2d coord y: 3.2954
chem comp atom.pdbx ordinal: 75
chem comp atom.type symbol: H

H33,1,bmse000541
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem comp atom.atom id: H33
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000541
chem comp atom.drawing 2d coord x: 12.6147
chem comp atom.drawing 2d coord y: 3.7742
chem comp atom.pdbx ordinal: 76
chem comp atom.type symbol: H

1,bmse000541,1
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 1
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: O28
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,2
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 2
chem comp bond.atom id 1: O28
chem comp bond.atom id 2: H76
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,3
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 3
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C24
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,4
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 4
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C23
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,5
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 5
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C16
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,6
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 6
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C5
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,7
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 7
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C22
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,8
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 8
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C12
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,9
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 9
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H74
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,10
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 10
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C25
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,11
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 11
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C10
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,12
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 12
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H72
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,13
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 13
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C26
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,14
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 14
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,15
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 15
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H75
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,16
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 16
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C20
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,17
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 17
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C15
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,18
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 18
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C4
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,19
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 19
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C11
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,20
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 20
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C19
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,21
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 21
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H73
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,22
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 22
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,23
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 23
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H64
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,24
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 24
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H65
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,25
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 25
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C9
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,26
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 26
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C17
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,27
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 27
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H70
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,28
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 28
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H60
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,29
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 29
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H61
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,30
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 30
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,31
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 31
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H56
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,32
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 32
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H57
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,33
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 33
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C9
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,34
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 34
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H52
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,35
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 35
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H53
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,36
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 36
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H54
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,37
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 37
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H55
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,38
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 38
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H50
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,39
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 39
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H51
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,40
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 40
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C13
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,41
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 41
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H62
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,42
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 42
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H63
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,43
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 43
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H41
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,44
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 44
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H43
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,45
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 45
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H42
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,46
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 46
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C8
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,47
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 47
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C3
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,48
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 48
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H69
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,49
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 49
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C21
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,50
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 50
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H66
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,51
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 51
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H67
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,52
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 52
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H38
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,53
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 53
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H39
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,54
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 54
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H40
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,55
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 55
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C21
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,56
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 56
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H58
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,57
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 57
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H59
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,58
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 58
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H71
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,59
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 59
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C6
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,60
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 60
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H48
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,61
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 61
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H49
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,62
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 62
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H37
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,63
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 63
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H36
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,64
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 64
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H35
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,65
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 65
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C7
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,66
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 66
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H44
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,67
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 67
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H45
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,68
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 68
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C18
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,69
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 69
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H46
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,70
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 70
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H47
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,71
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 71
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C1
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,72
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 72
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C2
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,73
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 73
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H68
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,74
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 74
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H31
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,75
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 75
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H29
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,76
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 76
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H30
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,77
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 77
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H32
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,78
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 78
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H34
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000541,79
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000541
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000541
chem comp bond.id: 79
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H33
chem comp bond.type: covalent
chem comp bond.value order: SING

1,1,bmse000541
type: chem comp citation
of datablock: info:bmrb.metabolomics/bmse000541
chem comp citation.citation id: 1
chem comp citation.comp id: 1
chem comp citation.entry id: bmse000541
chem comp citation.citation label: citation_1

1,bmse000541,5-alpha-cholestan-3-beta-ol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000541
chem comp common name.name: 5-alpha-cholestan-3-beta-ol
chem comp common name.type: abbreviation

1,bmse000541,Dihydrocholesterol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000541
chem comp common name.name: Dihydrocholesterol
chem comp common name.type: abbreviation

1,bmse000541,cholestan-3beta-ol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000541
chem comp common name.name: cholestan-3beta-ol
chem comp common name.type: abbreviation

1,bmse000541,5alpha-Cholestan-3beta-ol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000541
chem comp common name.name: 5alpha-Cholestan-3beta-ol
chem comp common name.type: abbreviation

1,bmse000541,3beta-Hydroxy-5alpha-cholestane,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000541
chem comp common name.name: 3beta-Hydroxy-5alpha-cholestane
chem comp common name.type: abbreviation

1,bmse000541,Cholestanol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000541
chem comp common name.name: Cholestanol
chem comp common name.type: abbreviation

1,bmse000541,beta-Cholestanol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000541
chem comp common name.name: beta-Cholestanol
chem comp common name.type: abbreviation

85165322,1,PubChem,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 85165322
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/85165322

urn:miriam:pubchem.substance:85165322

6665,1,PubChem,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 6665
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: cid
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

info:pubchem.compound/6665

urn:miriam:pubchem.compound:6665

728664,1,PubChem,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 728664
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/728664

urn:miriam:pubchem.substance:728664

24893999,1,PubChem,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 24893999
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/24893999

urn:miriam:pubchem.substance:24893999

7850693,1,PubChem,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 7850693
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/7850693

urn:miriam:pubchem.substance:7850693

29225618,1,PubChem,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 29225618
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/29225618

urn:miriam:pubchem.substance:29225618

12296505,1,PubChem,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 12296505
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/12296505

urn:miriam:pubchem.substance:12296505

80-97-7,1,CAS Registry,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 80-97-7
chem comp db link.comp id: 1
chem comp db link.database code: CAS Registry
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: registry number
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

29466-38-4,1,CAS Registry,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 29466-38-4
chem comp db link.comp id: 1
chem comp db link.database code: CAS Registry
chem comp db link.entry id: bmse000541
chem comp db link.accession code type: registry number
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

D6128 SIGMA,1,Sigma-Aldrich,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: D6128_SIGMA
chem comp db link.comp id: 1
chem comp db link.database code: Sigma-Aldrich
chem comp db link.entry id: bmse000541
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

029466384,1,ChemIDplus,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 029466384
chem comp db link.comp id: 1
chem comp db link.database code: ChemIDplus
chem comp db link.entry id: bmse000541
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

6413,1,ChemSpider,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: 6413
chem comp db link.comp id: 1
chem comp db link.database code: ChemSpider
chem comp db link.entry id: bmse000541
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

LMST01010077,1,LipidMAPS,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: LMST01010077
chem comp db link.comp id: 1
chem comp db link.database code: LipidMAPS
chem comp db link.entry id: bmse000541
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

ZINC04262223,1,ZINC,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: ZINC04262223
chem comp db link.comp id: 1
chem comp db link.database code: ZINC
chem comp db link.entry id: bmse000541
chem comp db link.author supplied: no
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

cq 10733,1,MMCD,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: cq_10733
chem comp db link.comp id: 1
chem comp db link.database code: MMCD
chem comp db link.entry id: bmse000541
chem comp db link.author supplied: yes
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

MFCD00066413,1,MDL,bmse000541
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000541
chem comp db link.accession code: MFCD00066413
chem comp db link.comp id: 1
chem comp db link.database code: MDL
chem comp db link.entry id: bmse000541
chem comp db link.author supplied: yes
chem comp db link.entry mol name: 5-alpha-cholestan-3-beta-ol
chem comp db link.entry relation type: matching entry

s1,bmse000541,na,na,INCHI
type: chem comp descriptor
of datablock: info:bmrb.metabolomics/bmse000541
chem comp descriptor.comp id: 1
chem comp descriptor.descriptor: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
chem comp descriptor.entry id: bmse000541
chem comp descriptor.program: na
chem comp descriptor.program version: na
chem comp descriptor.type: INCHI

s1,bmse000541,na,3.003,INCHI
type: chem comp descriptor
of datablock: info:bmrb.metabolomics/bmse000541
chem comp descriptor.comp id: 1
chem comp descriptor.descriptor: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
chem comp descriptor.entry id: bmse000541
chem comp descriptor.program: na
chem comp descriptor.program version: 3.003
chem comp descriptor.type: INCHI

1,bmse000541,CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C,canonical
type: chem comp smiles
of datablock: info:bmrb.metabolomics/bmse000541
chem comp smiles.comp id: 1
chem comp smiles.entry id: bmse000541
chem comp smiles.string: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
chem comp smiles.type: canonical

1,bmse000541,CC(C)CCC(CaaH)(C)(CaH)1CC(CaaH)2(Caa)1(CC(CaH)3(CaH)2CC(CaaH)4(Caa)3(CC(CaaH)(C4)O)C)C,isomeric
type: chem comp smiles
of datablock: info:bmrb.metabolomics/bmse000541
chem comp smiles.comp id: 1
chem comp smiles.entry id: bmse000541
chem comp smiles.string: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
chem comp smiles.type: isomeric

1,bmse000541,IUPAC
type: chem comp systematic name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp systematic name.comp id: 1
chem comp systematic name.entry id: bmse000541
chem comp systematic name.naming system: IUPAC
chem comp systematic name.name: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
chem comp systematic name.name: (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

1,bmse000541,CAS name
type: chem comp systematic name
of datablock: info:bmrb.metabolomics/bmse000541
chem comp systematic name.comp id: 1
chem comp systematic name.entry id: bmse000541
chem comp systematic name.naming system: CAS name
chem comp systematic name.name: (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

1,bmse000541,1
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 1D 1H
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,bmse000541,2
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 2D [1H,1H]-TOCSY
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,bmse000541,3
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 3
chem shift experiment.experiment name: 1D 13C
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,bmse000541,4
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 4
chem shift experiment.experiment name: 1D DEPT90
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,bmse000541,5
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 5
chem shift experiment.experiment name: 1D DEPT135
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,bmse000541,6
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 6
chem shift experiment.experiment name: 2D [1H,13C]-HSQC
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,bmse000541,7
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 7
chem shift experiment.experiment name: 2D [1H,13C]-HMBC
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,bmse000541,8
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000541
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000541
chem shift experiment.experiment id: 8
chem shift experiment.experiment name: 2D [1H,1H]-COSY
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,H,1,bmse000541,TMS
type: chem shift ref
of datablock: info:bmrb.metabolomics/bmse000541
chem shift ref.atom isotope number: 1
chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: bmse000541
chem shift ref.mol common name: TMS
chem shift ref.atom group: na
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.000000
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

13,C,1,bmse000541,TMS
type: chem shift ref
of datablock: info:bmrb.metabolomics/bmse000541
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: bmse000541
chem shift ref.mol common name: TMS
chem shift ref.atom group: na
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.000000
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref type: indirect

bmse000541,1
type: chem shift reference
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
chem shift reference.entry id: bmse000541
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chem_shift_reference

1,bmse000541,1
type: chem shift software
of datablock: info:bmrb.metabolomics/bmse000541
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: bmse000541
chem shift software.software id: 1
chem shift software.method id: 0
chem shift software.software label: software_2

bmse000541,1
type: citation
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
citation.entry id: bmse000541
citation.id: 1
citation.class: reference citation
citation.doi: 10.1093/nar/gkl1031
citation.journal abbrev: Nucleic Acids Res.
citation.journal issn: 0305-1048
citation.journal issue: Database issue
citation.journal name full: Nucleic acids research
citation.journal volume: 35
citation.page first: D5
citation.page last: 12
citation.pubmed id: 17170002
citation.sf category: citations
citation.sf framecode: citation_1
citation.status: published
citation.title: Database resources of the National Center for Biotechnology Information.
citation.type: internet
citation.www url: http://pubchem.ncbi.nlm.nih.gov/
citation.year: 2007

info:doi/10.1093/nar/gkl1031

urn:miriam:doi:10.1093/nar/gkl1031

urn:ISSN:0305-1048

urn:miriam:issn:0305-1048

info:pmid/17170002

urn:miriam:pubmed:17170002

1,bmse000541,1
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 1
citation author.family name: Wheeler
citation author.first initial: D.
citation author.given name: D.
citation author.middle initials: L.
citation author.pdbx name: Wheeler, D.L.

1,bmse000541,2
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 2
citation author.family name: Barrett
citation author.first initial: T.
citation author.given name: T.
citation author.pdbx name: Barrett, T.

1,bmse000541,3
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 3
citation author.family name: Benson
citation author.first initial: D.
citation author.given name: D.
citation author.middle initials: A.
citation author.pdbx name: Benson, D.A.

1,bmse000541,4
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 4
citation author.family name: Bryant
citation author.first initial: S.
citation author.given name: S.
citation author.middle initials: H.
citation author.pdbx name: Bryant, S.H.

1,bmse000541,5
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 5
citation author.family name: Canese
citation author.first initial: K.
citation author.given name: K.
citation author.pdbx name: Canese, K.

1,bmse000541,6
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 6
citation author.family name: Chetvenin
citation author.first initial: V.
citation author.given name: V.
citation author.pdbx name: Chetvenin, V.

1,bmse000541,7
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 7
citation author.family name: Church
citation author.first initial: D.
citation author.given name: D.
citation author.middle initials: M.
citation author.pdbx name: Church, D.M.

1,bmse000541,8
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 8
citation author.family name: DiCuccio
citation author.first initial: M.
citation author.given name: M.
citation author.pdbx name: DiCuccio, M.

1,bmse000541,9
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 9
citation author.family name: Edgar
citation author.first initial: R.
citation author.given name: R.
citation author.pdbx name: Edgar, R.

1,bmse000541,10
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 10
citation author.family name: Federhen
citation author.first initial: S.
citation author.given name: S.
citation author.pdbx name: Federhen, S.

1,bmse000541,11
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 11
citation author.family name: Geer
citation author.first initial: L.
citation author.given name: L.
citation author.middle initials: Y.
citation author.pdbx name: Geer, L.Y.

1,bmse000541,12
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 12
citation author.family name: Helmberg
citation author.first initial: W.
citation author.given name: W.
citation author.pdbx name: Helmberg, W.

1,bmse000541,13
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 13
citation author.family name: Kapustin
citation author.first initial: Y.
citation author.given name: Y.
citation author.pdbx name: Kapustin, Y.

1,bmse000541,14
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 14
citation author.family name: Kenton
citation author.first initial: D.
citation author.given name: D.
citation author.middle initials: L.
citation author.pdbx name: Kenton, D.L.

1,bmse000541,15
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 15
citation author.family name: Khovayko
citation author.first initial: O.
citation author.given name: O.
citation author.pdbx name: Khovayko, O.

1,bmse000541,16
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 16
citation author.family name: Lipman
citation author.first initial: D.
citation author.given name: D.
citation author.middle initials: J.
citation author.pdbx name: Lipman, D.J.

1,bmse000541,17
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 17
citation author.family name: Madden
citation author.first initial: T.
citation author.given name: T.
citation author.middle initials: L.
citation author.pdbx name: Madden, T.L.

1,bmse000541,18
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 18
citation author.family name: Maglott
citation author.first initial: D.
citation author.given name: D.
citation author.middle initials: R.
citation author.pdbx name: Maglott, D.R.

1,bmse000541,19
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 19
citation author.family name: Ostell
citation author.first initial: J.
citation author.given name: J.
citation author.pdbx name: Ostell, J.

1,bmse000541,20
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 20
citation author.family name: Pruitt
citation author.first initial: K.
citation author.given name: K.
citation author.middle initials: D.
citation author.pdbx name: Pruitt, K.D.

1,bmse000541,21
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 21
citation author.family name: Schuler
citation author.first initial: G.
citation author.given name: G.
citation author.middle initials: D.
citation author.pdbx name: Schuler, G.D.

1,bmse000541,22
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 22
citation author.family name: Schriml
citation author.first initial: L.
citation author.given name: L.
citation author.middle initials: M.
citation author.pdbx name: Schriml, L.M.

1,bmse000541,23
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 23
citation author.family name: Sequeira
citation author.first initial: E.
citation author.given name: E.
citation author.pdbx name: Sequeira, E.

1,bmse000541,24
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 24
citation author.family name: Sherry
citation author.first initial: S.
citation author.given name: S.
citation author.middle initials: T.
citation author.pdbx name: Sherry, S.T.

1,bmse000541,25
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 25
citation author.family name: Sirotkin
citation author.first initial: K.
citation author.given name: K.
citation author.pdbx name: Sirotkin, K.

1,bmse000541,26
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 26
citation author.family name: Souvorov
citation author.first initial: A.
citation author.given name: A.
citation author.pdbx name: Souvorov, A.

1,bmse000541,27
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 27
citation author.family name: Starchenko
citation author.first initial: G.
citation author.given name: G.
citation author.pdbx name: Starchenko, G.

1,bmse000541,28
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 28
citation author.family name: Suzek
citation author.first initial: T.
citation author.given name: T.
citation author.middle initials: O.
citation author.pdbx name: Suzek, T.O.

1,bmse000541,29
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 29
citation author.family name: Tatusov
citation author.first initial: R.
citation author.given name: R.
citation author.pdbx name: Tatusov, R.

1,bmse000541,30
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 30
citation author.family name: Tatusova
citation author.first initial: T.
citation author.given name: T.
citation author.middle initials: A.
citation author.pdbx name: Tatusova, T.A.

1,bmse000541,31
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 31
citation author.family name: Bagner
citation author.first initial: L.
citation author.given name: L.
citation author.pdbx name: Bagner, L.

1,bmse000541,32
type: citation author
of datablock: info:bmrb.metabolomics/bmse000541
citation author.citation id: 1
citation author.entry id: bmse000541
citation author.ordinal: 32
citation author.family name: Yaschenko
citation author.first initial: E.
citation author.given name: E.
citation author.pdbx name: Yaschenko, E.

bmse000541,assigned chemical shifts
type: data set
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
data set.entry id: bmse000541
data set.type: assigned_chemical_shifts
data set.count: 1

bmse000541,13C chemical shifts
type: datum
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
datum.entry id: bmse000541
datum.type: 13C chemical shifts
datum.count: 215

bmse000541,1H chemical shifts
type: datum
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
datum.entry id: bmse000541
datum.type: 1H chemical shifts
datum.count: 208

bmse000541,1
type: entity
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entity.entry id: bmse000541
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.name: 5-alpha-cholestan-3-beta-ol
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.paramagnetic: no
entity.parent entity id: 0
entity.sf category: entity
entity.sf framecode: 5-alpha-cholestan-3-beta-ol
entity.thiol state: not reported
entity.type: non-polymer

1,bmse000541,1
type: entity assembly
of datablock: info:bmrb.metabolomics/bmse000541
entity assembly.assembly id: 1
entity assembly.entry id: bmse000541
entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: 5-alpha-cholestan-3-beta-ol
entity assembly.entity id: 1
entity assembly.entity label: 5-alpha-cholestan-3-beta-ol
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,bmse000541,1
type: entity comp index
of datablock: info:bmrb.metabolomics/bmse000541
entity comp index.entity id: 1
entity comp index.entry id: bmse000541
entity comp index.id: 1
entity comp index.comp id: 1
entity comp index.comp label: chem_comp_1

1,bmse000541,1
type: entity experimental src
of datablock: info:bmrb.metabolomics/bmse000541
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: bmse000541
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: 5-alpha-cholestan-3-beta-ol
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: chemical synthesis

bmse000541,1
type: entity experimental src list
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entity experimental src list.entry id: bmse000541
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,bmse000541,1
type: entity natural src
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entity natural src.entity natural src list id: 1
entity natural src.entry id: bmse000541
entity natural src.id: 1
entity natural src.citation id: 0
entity natural src.common: yes
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: 5-alpha-cholestan-3-beta-ol
entity natural src.genus: n/a
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: n/a
entity natural src.organism name common: n/a
entity natural src.organism name scientific: unidentified
entity natural src.species: n/a
entity natural src.superkingdom: Unclassified
entity natural src.type: multiple natural sources

bmse000541,1
type: entity natural src list
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entity natural src list.entry id: bmse000541
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

info:doi/10.13018/BMSE000541

urn:miriam:doi:10.13018/BMSE000541

bmse000541,1
type: entry author
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entry author.entry id: bmse000541
entry author.ordinal: 1
entry author.family name: Jofre
entry author.given name: Francisca
entry author.pdbx name: Jofre, F.

bmse000541,2
type: entry author
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entry author.entry id: bmse000541
entry author.ordinal: 2
entry author.family name: Anderson
entry author.given name: Mark
entry author.middle initials: E.
entry author.pdbx name: Anderson, M.E.

bmse000541,3
type: entry author
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entry author.entry id: bmse000541
entry author.ordinal: 3
entry author.family name: Markley
entry author.given name: John
entry author.middle initials: L.
entry author.pdbx name: Markley, J.L.

bmse000541,1
type: entry src
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
entry src.entry id: bmse000541
entry src.id: 1
entry src.organization full name: Madison Metabolomics Consortium
entry src.organization initials: MMC
entry src.project name: metabolomics

bmse000541,1,1
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
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: 1D 1H
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse000541,1,2
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
experiment.experiment list id: 1
experiment.id: 2
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D [1H,1H]-TOCSY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse000541,1,3
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
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: 1D 13C
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse000541,1,4
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
experiment.experiment list id: 1
experiment.id: 4
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: 1D DEPT90
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse000541,1,5
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
experiment.experiment list id: 1
experiment.id: 5
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 1D DEPT135
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse000541,1,6
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
experiment.experiment list id: 1
experiment.id: 6
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D [1H,13C]-HSQC
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse000541,1,7
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
experiment.experiment list id: 1
experiment.id: 7
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D [1H,13C]-HMBC
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

bmse000541,1,8
type: experiment
of datablock: info:bmrb.metabolomics/bmse000541
experiment.entry id: bmse000541
experiment.experiment list id: 1
experiment.id: 8
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D [1H,1H]-COSY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: Bruker_DMX_500
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: yes
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

1,1H
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 1
experiment file.name: 1H
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

1,1H.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 1
experiment file.name: 1H.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

2,HH TOCSY
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 2
experiment file.name: HH_TOCSY
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

2,HH TOCSY.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 2
experiment file.name: HH_TOCSY.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

3,13C
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 3
experiment file.name: 13C
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

3,13C.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 3
experiment file.name: 13C.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

4,DEPT 90
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 4
experiment file.name: DEPT_90
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

4,DEPT 90.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 4
experiment file.name: DEPT_90.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

5,DEPT 135
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 5
experiment file.name: DEPT_135
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

5,DEPT 135.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 5
experiment file.name: DEPT_135.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

6,1H 13C HSQC
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 6
experiment file.name: 1H_13C_HSQC
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

6,1H 13C HSQC.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 6
experiment file.name: 1H_13C_HSQC.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

7,1H 13C HMBC
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 7
experiment file.name: 1H_13C_HMBC
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

7,1H 13C HMBC.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 7
experiment file.name: 1H_13C_HMBC.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

8,HH COSY
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 8
experiment file.name: HH_COSY
experiment file.details: Time-domain (raw spectral data)
experiment file.directory path: nmr/set01/
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: text/directory

8,HH COSY.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000541
experiment file.experiment id: 8
experiment file.name: HH_COSY.png
experiment file.details: Spectral image
experiment file.directory path: nmr/set01/spectra
experiment file.entry id: bmse000541
experiment file.experiment list id: 1
experiment file.type: image/png

bmse000541,1
type: experiment list
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
experiment list.entry id: bmse000541
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

bmse000541,1
type: nmr spectrometer
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
nmr spectrometer.entry id: bmse000541
nmr spectrometer.id: 1
nmr spectrometer.field strength: 500
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: DMX
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: Bruker_DMX_500

bmse000541,1
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 1
release.author: BMRB
release.date: 2008-12-10Z
release.detail: Original spectra from MMC
release.submission date: 2008-12-10Z
release.type: original

bmse000541,2
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 2
release.author: Author
release.date: 2009-06-02Z
release.detail: Updated data with new 13C reference
release.submission date: 2008-12-10Z
release.type: update

bmse000541,3
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 3
release.author: Author
release.date: 2009-06-03Z
release.detail: Updated data with new 13C reference
release.submission date: 2008-12-10Z
release.type: update

bmse000541,4
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 4
release.author: Author
release.date: 2009-06-17Z
release.detail: Assignments, 13C transition lists, 1H transition lists by Francisca Jofre
release.submission date: 2008-12-10Z
release.type: update

bmse000541,5
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 5
release.author: BMRB
release.date: 2009-07-19Z
release.detail: Updated the InChI string to match PubChem
release.submission date: 2008-12-10Z
release.type: update

bmse000541,6
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 6
release.author: Author
release.date: 2010-02-04Z
release.detail: updated peak lists with new referencing
release.submission date: 2008-12-10Z
release.type: update

bmse000541,7
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 7
release.author: BMRB
release.date: 2010-11-10Z
release.detail: Reset sweep widths to those found in parameter files
release.submission date: 2008-12-10Z
release.type: update

bmse000541,8
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 8
release.author: BMRB
release.date: 2010-11-10Z
release.detail: Updated chem comp Paramagnetic and Aromatic
release.submission date: 2008-12-10Z
release.type: update

bmse000541,9
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 9
release.author: BMRB
release.date: 2011-03-03Z
release.detail: Fixed peak list ID issue
release.submission date: 2008-12-10Z
release.type: update

bmse000541,10
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 10
release.author: BMRB
release.date: 2011-04-03Z
release.detail: Added Provenance tag to chem_comp
release.submission date: 2008-12-10Z
release.type: update

bmse000541,11
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 11
release.author: BMRB
release.date: 2011-04-10Z
release.detail: Moved Dept 135 phase val info from _Peak_general_char to _Peak_char
release.submission date: 2008-12-10Z
release.type: update

bmse000541,12
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 12
release.author: BMRB
release.date: 2011-09-08Z
release.detail: Brought up to date with latest Dictionary
release.submission date: 2008-12-10Z
release.type: update

bmse000541,13
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 13
release.author: BMRB
release.date: 2011-09-20Z
release.detail: Added base dir to data file path
release.submission date: 2008-12-10Z
release.type: update

bmse000541,14
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 14
release.author: BMRB
release.date: 2011-12-13Z
release.detail: Set Assembly.Name to match Chem_comp.name
release.submission date: 2008-12-10Z
release.type: update

bmse000541,15
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 15
release.author: BMRB
release.date: 2012-09-12Z
release.detail: Added PubChem SID 85165322 to database loop
release.submission date: 2008-12-10Z
release.type: update

bmse000541,16
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 16
release.author: BMRB
release.date: 2012-10-16Z
release.detail: Set all _Chem_comp_SMILES Types to lower case
release.submission date: 2008-12-10Z
release.type: update

bmse000541,17
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 17
release.author: BMRB
release.date: 2012-10-30Z
release.detail: removed existing assignments, existing spectral peaks
release.submission date: 2008-12-10Z
release.type: update

bmse000541,18
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 18
release.author: BMRB
release.date: 2012-10-30Z
release.detail: Updating assignments with fixed assignment file
release.submission date: 2008-12-10Z
release.type: update

bmse000541,19
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 19
release.author: BMRB
release.date: 2017-10-11Z
release.detail: Remediated Experiment_file loop if present and standardized mol and png file tags.
release.submission date: 2017-10-11Z
release.type: update

bmse000541,20
type: release
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
release.entry id: bmse000541
release.release number: 20
release.author: BMRB
release.date: 2017-12-18Z
release.detail: InChI numbering updated according to ALATIS
release.submission date: 2017-10-11Z
release.type: update

bmse000541,1
type: sample
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
sample.entry id: bmse000541
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

bmse000541,1,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000541
sample component.entry id: bmse000541
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: Saturated
sample component.entity id: 1
sample component.entity label: 5-alpha-cholestan-3-beta-ol
sample component.isotopic labeling: natural abundance
sample component.mol common name: 5-alpha-cholestan-3-beta-ol
sample component.type: Solute
sample component.vendor: Sigma
sample component.vendor product code: n/a
sample component.vendor product name: 5-alpha-cholestan-3-beta-ol

bmse000541,2,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000541
sample component.entry id: bmse000541
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 100
sample component.concentration val units: %
sample component.entity id: 1
sample component.mol common name: CDCl3
sample component.type: Solvent

bmse000541,3,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000541
sample component.entry id: bmse000541
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.5
sample component.concentration val units: %
sample component.entity id: 1
sample component.mol common name: TMS
sample component.type: Reference

bmse000541,1
type: sample condition list
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
sample condition list.entry id: bmse000541
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

bmse000541,1,pH
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000541
sample condition variable.entry id: bmse000541
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: n/a
sample condition variable.val units: pH

bmse000541,1,temperature
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000541
sample condition variable.entry id: bmse000541
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

bmse000541,1
type: software
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
software.entry id: bmse000541
software.id: 1
software.name: NMRPipe
software.sf category: software
software.sf framecode: software_1

bmse000541,2
type: software
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
software.entry id: bmse000541
software.id: 2
software.name: XWIN-NMR
software.sf category: software
software.sf framecode: software_2
software.version: 3.5

bmse000541,3
type: software
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
software.entry id: bmse000541
software.id: 3
software.name: NMRDraw
software.sf category: software
software.sf framecode: software_3
software.version: 2.3

bmse000541,4
type: software
of datablock: info:bmrb.metabolomics/bmse000541
reference to entry: bmse000541
software.entry id: bmse000541
software.id: 4
software.name: NUTS
software.sf category: software
software.sf framecode: software_4
software.version: 1D Version - 20060331

H,bmse000541,1,1,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000541
spectral dim.atom type: H
spectral dim.entry id: bmse000541
spectral dim.id: 1
spectral dim.spectral peak list id: 1
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 7002.801

C,bmse000541,2,2,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000541
spectral dim.atom type: C
spectral dim.entry id: bmse000541
spectral dim.id: 2
spectral dim.spectral peak list id: 2
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 30303.03

C,bmse000541,3,3,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000541
spectral dim.atom type: C
spectral dim.entry id: bmse000541
spectral dim.id: 3
spectral dim.spectral peak list id: 3
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 28943.56

C,bmse000541,4,4,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000541
spectral dim.atom type: C
spectral dim.entry id: bmse000541
spectral dim.id: 4
spectral dim.spectral peak list id: 4
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 28943.56

H,bmse000541,5,5,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000541
spectral dim.atom type: H
spectral dim.entry id: bmse000541
spectral dim.id: 5
spectral dim.spectral peak list id: 5
spectral dim.spectral region: Full H
spectral dim.atom isotope number: 1
spectral dim.sweep width: 4699.248

C,bmse000541,6,5,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000541
spectral dim.atom type: C
spectral dim.entry id: bmse000541
spectral dim.id: 6
spectral dim.spectral peak list id: 5
spectral dim.spectral region: Full C
spectral dim.atom isotope number: 13
spectral dim.sweep width: 21367.52

bmse000541,1,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 1
spectral transition.spectral peak list id: 1

bmse000541,2,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 2
spectral transition.spectral peak list id: 1

bmse000541,3,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 3
spectral transition.spectral peak list id: 1

bmse000541,4,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 4
spectral transition.spectral peak list id: 1

bmse000541,5,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 5
spectral transition.spectral peak list id: 1

bmse000541,6,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 6
spectral transition.spectral peak list id: 1

bmse000541,7,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 7
spectral transition.spectral peak list id: 1

bmse000541,8,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 8
spectral transition.spectral peak list id: 1

bmse000541,9,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 9
spectral transition.spectral peak list id: 1

bmse000541,10,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 10
spectral transition.spectral peak list id: 1

bmse000541,11,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 11
spectral transition.spectral peak list id: 1

bmse000541,12,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 12
spectral transition.spectral peak list id: 1

bmse000541,13,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 13
spectral transition.spectral peak list id: 1

bmse000541,14,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 14
spectral transition.spectral peak list id: 1

bmse000541,15,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 15
spectral transition.spectral peak list id: 1

bmse000541,16,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 16
spectral transition.spectral peak list id: 1

bmse000541,17,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 17
spectral transition.spectral peak list id: 1

bmse000541,18,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 18
spectral transition.spectral peak list id: 1

bmse000541,19,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 19
spectral transition.spectral peak list id: 1

bmse000541,20,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 20
spectral transition.spectral peak list id: 1

bmse000541,21,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 21
spectral transition.spectral peak list id: 1

bmse000541,22,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 22
spectral transition.spectral peak list id: 1

bmse000541,23,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 23
spectral transition.spectral peak list id: 1

bmse000541,24,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 24
spectral transition.spectral peak list id: 1

bmse000541,25,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 25
spectral transition.spectral peak list id: 1

bmse000541,26,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 26
spectral transition.spectral peak list id: 1

bmse000541,27,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 27
spectral transition.spectral peak list id: 1

bmse000541,28,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 28
spectral transition.spectral peak list id: 1

bmse000541,29,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 29
spectral transition.spectral peak list id: 1

bmse000541,30,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 30
spectral transition.spectral peak list id: 1

bmse000541,31,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 31
spectral transition.spectral peak list id: 1

bmse000541,32,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 32
spectral transition.spectral peak list id: 1

bmse000541,33,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 33
spectral transition.spectral peak list id: 1

bmse000541,34,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 34
spectral transition.spectral peak list id: 1

bmse000541,35,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 35
spectral transition.spectral peak list id: 1

bmse000541,36,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 36
spectral transition.spectral peak list id: 1

bmse000541,37,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 37
spectral transition.spectral peak list id: 1

bmse000541,38,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 38
spectral transition.spectral peak list id: 1

bmse000541,39,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 39
spectral transition.spectral peak list id: 1

bmse000541,40,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 40
spectral transition.spectral peak list id: 1

bmse000541,41,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 41
spectral transition.spectral peak list id: 1

bmse000541,42,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 42
spectral transition.spectral peak list id: 1

bmse000541,43,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 43
spectral transition.spectral peak list id: 1

bmse000541,44,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 44
spectral transition.spectral peak list id: 1

bmse000541,45,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 45
spectral transition.spectral peak list id: 1

bmse000541,46,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 46
spectral transition.spectral peak list id: 1

bmse000541,47,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 47
spectral transition.spectral peak list id: 1

bmse000541,48,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 48
spectral transition.spectral peak list id: 1

bmse000541,49,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 49
spectral transition.spectral peak list id: 1

bmse000541,50,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 50
spectral transition.spectral peak list id: 1

bmse000541,51,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 51
spectral transition.spectral peak list id: 1

bmse000541,52,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 52
spectral transition.spectral peak list id: 1

bmse000541,53,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 53
spectral transition.spectral peak list id: 1

bmse000541,54,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 54
spectral transition.spectral peak list id: 1

bmse000541,55,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 55
spectral transition.spectral peak list id: 1

bmse000541,56,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 56
spectral transition.spectral peak list id: 1

bmse000541,57,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 57
spectral transition.spectral peak list id: 1

bmse000541,58,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 58
spectral transition.spectral peak list id: 1

bmse000541,59,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 59
spectral transition.spectral peak list id: 1

bmse000541,60,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 60
spectral transition.spectral peak list id: 1

bmse000541,61,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 61
spectral transition.spectral peak list id: 1

bmse000541,62,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 62
spectral transition.spectral peak list id: 1

bmse000541,63,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 63
spectral transition.spectral peak list id: 1

bmse000541,64,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 64
spectral transition.spectral peak list id: 1

bmse000541,65,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 65
spectral transition.spectral peak list id: 1

bmse000541,66,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 66
spectral transition.spectral peak list id: 1

bmse000541,67,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 67
spectral transition.spectral peak list id: 1

bmse000541,68,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 68
spectral transition.spectral peak list id: 1

bmse000541,69,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 69
spectral transition.spectral peak list id: 1

bmse000541,70,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 70
spectral transition.spectral peak list id: 1

bmse000541,71,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 71
spectral transition.spectral peak list id: 1

bmse000541,72,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 72
spectral transition.spectral peak list id: 1

bmse000541,73,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 73
spectral transition.spectral peak list id: 1

bmse000541,74,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 74
spectral transition.spectral peak list id: 1

bmse000541,75,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 75
spectral transition.spectral peak list id: 1

bmse000541,76,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 76
spectral transition.spectral peak list id: 1

bmse000541,77,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 77
spectral transition.spectral peak list id: 1

bmse000541,78,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 78
spectral transition.spectral peak list id: 2

bmse000541,79,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 79
spectral transition.spectral peak list id: 2

bmse000541,80,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 80
spectral transition.spectral peak list id: 2

bmse000541,81,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 81
spectral transition.spectral peak list id: 2

bmse000541,82,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 82
spectral transition.spectral peak list id: 2

bmse000541,83,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 83
spectral transition.spectral peak list id: 2

bmse000541,84,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 84
spectral transition.spectral peak list id: 2

bmse000541,85,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 85
spectral transition.spectral peak list id: 2

bmse000541,86,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 86
spectral transition.spectral peak list id: 2

bmse000541,87,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 87
spectral transition.spectral peak list id: 2

bmse000541,88,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 88
spectral transition.spectral peak list id: 2

bmse000541,89,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 89
spectral transition.spectral peak list id: 2

bmse000541,90,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 90
spectral transition.spectral peak list id: 2

bmse000541,91,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 91
spectral transition.spectral peak list id: 2

bmse000541,92,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 92
spectral transition.spectral peak list id: 2

bmse000541,93,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 93
spectral transition.spectral peak list id: 2

bmse000541,94,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 94
spectral transition.spectral peak list id: 2

bmse000541,95,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 95
spectral transition.spectral peak list id: 2

bmse000541,96,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 96
spectral transition.spectral peak list id: 2

bmse000541,97,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 97
spectral transition.spectral peak list id: 2

bmse000541,98,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 98
spectral transition.spectral peak list id: 2

bmse000541,99,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 99
spectral transition.spectral peak list id: 2

bmse000541,100,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 100
spectral transition.spectral peak list id: 2

bmse000541,101,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 101
spectral transition.spectral peak list id: 2

bmse000541,102,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 102
spectral transition.spectral peak list id: 2

bmse000541,103,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 103
spectral transition.spectral peak list id: 2

bmse000541,104,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 104
spectral transition.spectral peak list id: 2

bmse000541,105,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition.entry id: bmse000541
spectral transition.id: 105
spectral transition.spectral peak list id: 2

bmse000541,1,1,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 3.615

bmse000541,1,1,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 3.606

bmse000541,1,1,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 3.594

bmse000541,1,1,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 3.585

bmse000541,1,1,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 3.575

bmse000541,1,1,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 3.563

bmse000541,1,1,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 3.553

bmse000541,1,1,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 1.974

bmse000541,1,1,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 1.968

bmse000541,1,1,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 1.955

bmse000541,1,1,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 1.949

bmse000541,1,1,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 1.831

bmse000541,1,1,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 1.823

bmse000541,1,1,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 1.812

bmse000541,1,1,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 1.805

bmse000541,1,1,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 1.797

bmse000541,1,1,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 1.786

bmse000541,1,1,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 1.779

bmse000541,1,1,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 1.768

bmse000541,1,1,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 1.725

bmse000541,1,1,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 1.718

bmse000541,1,1,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 1.711

bmse000541,1,1,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 1.698

bmse000541,1,1,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 1.692

bmse000541,1,1,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 25
spectral transition char.chem shift val: 1.684

bmse000541,1,1,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 26
spectral transition char.chem shift val: 1.670

bmse000541,1,1,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 27
spectral transition char.chem shift val: 1.663

bmse000541,1,1,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 28
spectral transition char.chem shift val: 1.656

bmse000541,1,1,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 29
spectral transition char.chem shift val: 1.644

bmse000541,1,1,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 30
spectral transition char.chem shift val: 1.636

bmse000541,1,1,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 31
spectral transition char.chem shift val: 1.560

bmse000541,1,1,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 32
spectral transition char.chem shift val: 1.539

bmse000541,1,1,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 33
spectral transition char.chem shift val: 1.526

bmse000541,1,1,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 34
spectral transition char.chem shift val: 1.512

bmse000541,1,1,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 35
spectral transition char.chem shift val: 1.498

bmse000541,1,1,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 36
spectral transition char.chem shift val: 1.490

bmse000541,1,1,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 37
spectral transition char.chem shift val: 1.470

bmse000541,1,1,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 38
spectral transition char.chem shift val: 1.463

bmse000541,1,1,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 39
spectral transition char.chem shift val: 1.438

bmse000541,1,1,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 40
spectral transition char.chem shift val: 1.431

bmse000541,1,1,41
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 41
spectral transition char.chem shift val: 1.411

bmse000541,1,1,42
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 42
spectral transition char.chem shift val: 1.380

bmse000541,1,1,43
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 43
spectral transition char.chem shift val: 1.362

bmse000541,1,1,44
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 44
spectral transition char.chem shift val: 1.337

bmse000541,1,1,45
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 45
spectral transition char.chem shift val: 1.320

bmse000541,1,1,46
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 46
spectral transition char.chem shift val: 1.293

bmse000541,1,1,47
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 47
spectral transition char.chem shift val: 1.270

bmse000541,1,1,48
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 48
spectral transition char.chem shift val: 1.260

bmse000541,1,1,49
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 49
spectral transition char.chem shift val: 1.246

bmse000541,1,1,50
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 50
spectral transition char.chem shift val: 1.239

bmse000541,1,1,51
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 51
spectral transition char.chem shift val: 1.217

bmse000541,1,1,52
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 52
spectral transition char.chem shift val: 1.197

bmse000541,1,1,53
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 53
spectral transition char.chem shift val: 1.191

bmse000541,1,1,54
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 54
spectral transition char.chem shift val: 1.132

bmse000541,1,1,55
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 55
spectral transition char.chem shift val: 1.125

bmse000541,1,1,56
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 56
spectral transition char.chem shift val: 1.108

bmse000541,1,1,57
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 57
spectral transition char.chem shift val: 1.100

bmse000541,1,1,58
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 58
spectral transition char.chem shift val: 1.078

bmse000541,1,1,59
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 59
spectral transition char.chem shift val: 1.059

bmse000541,1,1,60
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 60
spectral transition char.chem shift val: 1.039

bmse000541,1,1,61
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 61
spectral transition char.chem shift val: 1.027

bmse000541,1,1,62
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 62
spectral transition char.chem shift val: 1.014

bmse000541,1,1,63
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 63
spectral transition char.chem shift val: 1.005

bmse000541,1,1,64
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 64
spectral transition char.chem shift val: 0.987

bmse000541,1,1,65
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 65
spectral transition char.chem shift val: 0.965

bmse000541,1,1,66
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 66
spectral transition char.chem shift val: 0.957

bmse000541,1,1,67
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 67
spectral transition char.chem shift val: 0.939

bmse000541,1,1,68
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 68
spectral transition char.chem shift val: 0.930

bmse000541,1,1,69
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 69
spectral transition char.chem shift val: 0.921

bmse000541,1,1,70
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 70
spectral transition char.chem shift val: 0.903

bmse000541,1,1,71
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 71
spectral transition char.chem shift val: 0.890

bmse000541,1,1,72
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 72
spectral transition char.chem shift val: 0.870

bmse000541,1,1,73
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 73
spectral transition char.chem shift val: 0.866

bmse000541,1,1,74
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 74
spectral transition char.chem shift val: 0.856

bmse000541,1,1,75
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 75
spectral transition char.chem shift val: 0.853

bmse000541,1,1,76
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 76
spectral transition char.chem shift val: 0.801

bmse000541,1,1,77
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 1
spectral transition char.spectral transition id: 77
spectral transition char.chem shift val: 0.646

bmse000541,1,2,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 1
spectral transition char.chem shift val: 71.602

bmse000541,1,2,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 2
spectral transition char.chem shift val: 56.728

bmse000541,1,2,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 3
spectral transition char.chem shift val: 56.511

bmse000541,1,2,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 4
spectral transition char.chem shift val: 54.591

bmse000541,1,2,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 5
spectral transition char.chem shift val: 45.086

bmse000541,1,2,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 6
spectral transition char.chem shift val: 42.816

bmse000541,1,2,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 7
spectral transition char.chem shift val: 40.274

bmse000541,1,2,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 8
spectral transition char.chem shift val: 39.743

bmse000541,1,2,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 9
spectral transition char.chem shift val: 38.444

bmse000541,1,2,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 10
spectral transition char.chem shift val: 37.238

bmse000541,1,2,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 11
spectral transition char.chem shift val: 36.407

bmse000541,1,2,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 12
spectral transition char.chem shift val: 36.030

bmse000541,1,2,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 13
spectral transition char.chem shift val: 35.733

bmse000541,1,2,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 14
spectral transition char.chem shift val: 35.690

bmse000541,1,2,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 15
spectral transition char.chem shift val: 32.321

bmse000541,1,2,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 16
spectral transition char.chem shift val: 31.755

bmse000541,1,2,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 17
spectral transition char.chem shift val: 28.974

bmse000541,1,2,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 18
spectral transition char.chem shift val: 28.489

bmse000541,1,2,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 19
spectral transition char.chem shift val: 28.244

bmse000541,1,2,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 20
spectral transition char.chem shift val: 24.455

bmse000541,1,2,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 21
spectral transition char.chem shift val: 24.071

bmse000541,1,2,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 22
spectral transition char.chem shift val: 23.061

bmse000541,1,2,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 23
spectral transition char.chem shift val: 22.802

bmse000541,1,2,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 24
spectral transition char.chem shift val: 21.491

bmse000541,1,2,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 25
spectral transition char.chem shift val: 18.904

bmse000541,1,2,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 26
spectral transition char.chem shift val: 12.566

bmse000541,1,2,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 27
spectral transition char.chem shift val: 12.551

bmse000541,1,2,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition char.entry id: bmse000541
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 28
spectral transition char.chem shift val: 12.305

bmse000541,369524,1,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 369524
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000541,574274,1,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 574274
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000541,709199,1,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 709199
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000541,980277,1,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 980277
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000541,719350,1,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 719350
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000541,593771,1,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 593771
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000541,374504,1,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 374504
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000541,1009806,1,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1009806
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000541,756345,1,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 756345
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000541,793804,1,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 793804
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000541,1071957,1,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1071957
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000541,472385,1,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 472385
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000541,738015,1,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 738015
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000541,1164401,1,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1164401
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000541,1316232,1,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1316232
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000541,1240859,1,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1240859
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000541,1264082,1,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1264082
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000541,1140334,1,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1140334
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000541,665975,1,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 665975
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000541,741418,1,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 741418
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000541,1014873,1,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1014873
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000541,734333,1,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 734333
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000541,851093,1,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 851093
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000541,1122534,1,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1122534
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000541,800554,1,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 800554
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse000541,1016602,1,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1016602
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse000541,1047469,1,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1047469
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse000541,776019,1,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 776019
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse000541,1107925,1,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1107925
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 29
spectral transition general char.measurement method: height

bmse000541,1071850,1,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1071850
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 30
spectral transition general char.measurement method: height

bmse000541,1532860,1,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1532860
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 31
spectral transition general char.measurement method: height

bmse000541,2041220,1,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2041220
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 32
spectral transition general char.measurement method: height

bmse000541,1420887,1,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1420887
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 33
spectral transition general char.measurement method: height

bmse000541,1285015,1,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1285015
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 34
spectral transition general char.measurement method: height

bmse000541,1574569,1,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1574569
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 35
spectral transition general char.measurement method: height

bmse000541,1256077,1,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1256077
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 36
spectral transition general char.measurement method: height

bmse000541,1208248,1,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1208248
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 37
spectral transition general char.measurement method: height

bmse000541,1078101,1,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1078101
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 38
spectral transition general char.measurement method: height

bmse000541,526100,1,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 526100
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 39
spectral transition general char.measurement method: height

bmse000541,505180,1,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 505180
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 40
spectral transition general char.measurement method: height

bmse000541,857047,1,41
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 857047
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 41
spectral transition general char.measurement method: height

bmse000541,1083529,1,42
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1083529
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 42
spectral transition general char.measurement method: height

bmse000541,1429195,1,43
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1429195
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 43
spectral transition general char.measurement method: height

bmse000541,2392873,1,44
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2392873
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 44
spectral transition general char.measurement method: height

bmse000541,3146757,1,45
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 3146757
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 45
spectral transition general char.measurement method: height

bmse000541,2402857,1,46
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2402857
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 46
spectral transition general char.measurement method: height

bmse000541,2946384,1,47
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2946384
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 47
spectral transition general char.measurement method: height

bmse000541,2945167,1,48
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2945167
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 48
spectral transition general char.measurement method: height

bmse000541,1957857,1,49
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1957857
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 49
spectral transition general char.measurement method: height

bmse000541,1704071,1,50
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1704071
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 50
spectral transition general char.measurement method: height

bmse000541,1295461,1,51
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1295461
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 51
spectral transition general char.measurement method: height

bmse000541,703071,1,52
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 703071
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 52
spectral transition general char.measurement method: height

bmse000541,651454,1,53
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 651454
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 53
spectral transition general char.measurement method: height

bmse000541,2026165,1,54
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2026165
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 54
spectral transition general char.measurement method: height

bmse000541,2203702,1,55
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2203702
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 55
spectral transition general char.measurement method: height

bmse000541,2918380,1,56
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2918380
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 56
spectral transition general char.measurement method: height

bmse000541,2548560,1,57
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2548560
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 57
spectral transition general char.measurement method: height

bmse000541,2536958,1,58
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2536958
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 58
spectral transition general char.measurement method: height

bmse000541,1677572,1,59
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1677572
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 59
spectral transition general char.measurement method: height

bmse000541,1112664,1,60
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1112664
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 60
spectral transition general char.measurement method: height

bmse000541,1031373,1,61
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1031373
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 61
spectral transition general char.measurement method: height

bmse000541,1167836,1,62
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1167836
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 62
spectral transition general char.measurement method: height

bmse000541,1343075,1,63
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1343075
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 63
spectral transition general char.measurement method: height

bmse000541,2248277,1,64
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2248277
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 64
spectral transition general char.measurement method: height

bmse000541,2080108,1,65
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2080108
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 65
spectral transition general char.measurement method: height

bmse000541,1498721,1,66
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1498721
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 66
spectral transition general char.measurement method: height

bmse000541,903458,1,67
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 903458
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 67
spectral transition general char.measurement method: height

bmse000541,727024,1,68
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 727024
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 68
spectral transition general char.measurement method: height

bmse000541,635585,1,69
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 635585
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 69
spectral transition general char.measurement method: height

bmse000541,5973766,1,70
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 5973766
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 70
spectral transition general char.measurement method: height

bmse000541,5727943,1,71
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 5727943
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 71
spectral transition general char.measurement method: height

bmse000541,8708918,1,72
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 8708918
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 72
spectral transition general char.measurement method: height

bmse000541,8557587,1,73
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 8557587
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 73
spectral transition general char.measurement method: height

bmse000541,8527000,1,74
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 8527000
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 74
spectral transition general char.measurement method: height

bmse000541,7655829,1,75
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 7655829
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 75
spectral transition general char.measurement method: height

bmse000541,10352790,1,76
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 10352790
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 76
spectral transition general char.measurement method: height

bmse000541,10924850,1,77
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 10924850
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 77
spectral transition general char.measurement method: height

bmse000541,2457088000,2,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2457088000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000541,2055744000,2,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2055744000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000541,2219451000,2,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2219451000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000541,2211105000,2,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2211105000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000541,2203514000,2,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2203514000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000541,1126385000,2,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1126385000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000541,1916147000,2,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1916147000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000541,2073513000,2,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2073513000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000541,2238089000,2,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2238089000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000541,1684048000,2,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1684048000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000541,1814592000,2,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1814592000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000541,1976836000,2,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1976836000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000541,1962544000,2,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1962544000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000541,1532852000,2,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1532852000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000541,1827135000,2,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1827135000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000541,1789016000,2,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1789016000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000541,2056172000,2,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 2056172000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000541,1751646000,2,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1751646000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000541,1334914000,2,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1334914000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000541,1714333000,2,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1714333000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000541,1898065000,2,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1898065000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000541,1402607000,2,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1402607000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000541,1420626000,2,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1420626000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000541,1841678000,2,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1841678000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000541,1478173000,2,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1478173000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse000541,1073942000,2,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1073942000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse000541,1065098000,2,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1065098000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse000541,1300898000,2,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000541
spectral transition general char.entry id: bmse000541
spectral transition general char.intensity val: 1300898000
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse000541,1,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 1
task.task: Processing

bmse000541,2,Collection
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 2
task.task: Collection

bmse000541,2,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 2
task.task: Processing

bmse000541,2,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 2
task.task: Data analysis

bmse000541,2,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 2
task.task: Peak picking

bmse000541,3,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 3
task.task: Data analysis

bmse000541,3,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 3
task.task: Peak picking

bmse000541,4,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 4
task.task: Data analysis

bmse000541,4,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000541
task.entry id: bmse000541
task.software id: 4
task.task: Peak picking

bmse000541,F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax,1
type: vendor
of datablock: info:bmrb.metabolomics/bmse000541
vendor.entry id: bmse000541
vendor.name: F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax
vendor.software id: 1

bmse000541,Bruker Biospin,2
type: vendor
of datablock: info:bmrb.metabolomics/bmse000541
vendor.entry id: bmse000541
vendor.name: Bruker Biospin
vendor.software id: 2

bmse000541,F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax,3
type: vendor
of datablock: info:bmrb.metabolomics/bmse000541
vendor.entry id: bmse000541
vendor.name: F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax
vendor.software id: 3

bmse000541,Acorn NMR Inc.,4
type: vendor
of datablock: info:bmrb.metabolomics/bmse000541
vendor.entry id: bmse000541
vendor.name: Acorn NMR Inc.
vendor.software id: 4