info:bmrb.metabolomics/bmse000600
type: datablock
datablock name: bmse000600
has ambiguous atom chem shift category: ambiguous atom chem shiftCategory
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

1,2,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 2
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,3,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 3
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,4,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 4
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,5,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 5
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,6,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 6
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,7,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 7
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,8,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 8
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,9,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 9
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,10,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 10
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,11,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 11
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,12,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 12
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,13,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 13
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,14,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 14
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,15,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 15
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,16,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 16
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,17,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 17
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,18,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 18
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,19,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 19
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,20,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 20
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,21,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 21
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,22,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 22
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,23,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 23
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,24,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 24
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,25,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 25
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,26,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 26
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,27,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 27
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,28,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 28
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,29,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 29
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,30,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 30
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,31,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 31
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,32,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 32
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,33,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 33
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,34,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 34
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,35,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 35
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,36,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 36
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,37,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 37
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,38,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 38
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,39,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 39
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,40,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 40
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,41,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 41
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 14

1,42,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 42
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 15

1,43,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 43
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,44,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 44
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,45,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 45
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,46,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 46
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,47,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 47
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,48,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 48
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,49,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 49
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,50,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 50
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,51,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 51
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,52,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 52
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,53,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 53
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,54,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 54
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,55,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 55
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,56,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 56
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,57,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 57
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,58,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 58
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,59,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 59
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,60,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 60
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,61,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 61
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,62,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 62
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,63,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 63
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,64,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 64
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,65,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 65
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,66,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 66
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,67,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 67
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,68,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 68
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,69,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 69
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,70,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 70
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,71,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 71
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,72,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 72
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,73,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 73
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,74,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 74
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,75,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 75
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,76,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 76
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,77,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 77
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,78,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 78
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,79,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 79
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,80,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 80
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,81,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 81
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,82,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 82
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 16

1,83,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 83
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 17

1,84,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 84
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 18

1,85,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 85
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 19

1,86,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 86
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 20

1,87,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 87
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 21

1,88,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 88
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 22

1,89,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 89
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 23

1,90,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 90
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 24

1,91,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 91
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,92,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 92
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,93,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 93
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,94,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 94
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,95,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 95
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,96,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 96
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,97,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 97
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,98,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 98
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,99,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 99
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,100,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 100
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,101,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 101
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,102,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 102
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,103,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 103
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,104,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 104
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 25

1,105,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 105
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 26

1,106,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 106
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,107,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 107
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,108,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 108
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,109,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 109
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,110,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 110
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,111,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 111
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,112,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 112
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,113,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 113
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,114,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 114
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,115,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 115
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,116,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 116
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,117,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 117
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,118,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 118
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,119,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 119
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 14

1,120,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 120
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 15

1,121,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 121
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 16

1,122,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 122
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 17

1,123,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 123
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 18

1,124,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 124
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 19

1,125,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 125
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 20

1,126,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 126
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,127,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 127
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,128,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 128
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,129,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 129
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,130,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 130
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,131,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 131
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,132,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 132
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,133,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 133
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,134,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 134
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,135,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 135
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,136,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 136
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,137,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 137
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,138,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 138
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,139,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 139
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 21

1,140,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 140
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 22

1,141,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 141
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 23

1,142,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 142
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 24

1,143,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 143
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 21

1,144,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 144
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 22

1,145,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 145
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 23

1,146,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 146
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 24

1,147,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 147
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,148,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 148
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,149,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 149
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,150,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 150
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,151,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 151
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,152,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 152
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,153,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 153
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,154,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 154
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,155,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 155
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,156,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 156
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,157,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 157
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,158,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 158
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,159,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 159
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,160,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 160
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 21

1,161,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 161
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 22

1,162,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 162
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 23

1,163,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 163
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 24

1,164,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 164
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 16

1,165,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 165
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 17

1,166,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 166
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 18

1,167,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 167
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 19

1,168,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 168
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 20

1,169,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 169
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 25

1,170,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 170
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 26

1,171,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 171
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 21

1,172,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 172
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 22

1,173,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 173
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 23

1,174,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 174
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 24

1,175,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 175
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 1

1,176,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 176
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 2

1,177,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 177
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 3

1,178,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 178
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 4

1,179,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 179
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 5

1,180,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 180
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 6

1,181,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 181
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 7

1,182,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 182
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 8

1,183,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 183
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 9

1,184,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 184
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 10

1,185,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 185
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 11

1,186,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 186
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 12

1,187,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 187
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 13

1,189,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 189
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 27

1,190,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 190
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 28

1,191,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 191
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 29

1,192,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 192
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 27

1,193,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 193
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 28

1,194,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 194
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 29

1,195,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 195
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 27

1,196,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 196
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 28

1,197,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 197
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 29

1,198,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 198
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 16

1,199,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 199
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 17

1,200,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 200
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 18

1,201,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 201
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 19

1,202,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 202
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 20

1,203,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 203
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 16

1,204,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 204
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 17

1,205,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 205
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 18

1,206,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 206
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 19

1,207,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 207
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 20

1,208,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 208
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,209,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 209
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,210,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 210
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,211,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 211
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,212,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 212
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,213,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 213
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,214,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 214
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,215,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 215
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,216,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 216
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,217,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 217
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,218,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 218
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,219,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 219
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,220,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 220
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,221,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 221
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,222,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 222
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,223,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 223
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,224,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 224
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,225,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 225
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,226,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 226
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,227,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 227
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,228,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 228
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,229,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 229
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,230,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 230
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,231,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 231
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,232,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 232
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,233,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 233
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,234,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 234
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,235,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 235
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,236,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 236
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,237,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 237
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,238,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 238
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,239,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 239
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,240,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 240
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,241,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 241
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,242,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 242
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,243,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 243
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,244,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 244
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,245,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 245
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,246,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 246
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,247,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 247
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,248,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 248
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,249,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 249
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,250,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 250
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,251,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 251
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,252,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 252
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,253,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 253
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,254,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 254
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,255,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 255
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,256,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 256
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,257,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 257
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,258,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 258
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,259,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 259
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,260,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 260
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,261,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 261
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,262,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 262
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,263,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 263
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,264,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 264
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,265,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 265
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,266,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 266
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,267,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 267
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,268,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 268
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,269,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 269
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,270,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 270
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,271,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 271
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,272,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 272
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,273,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 273
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,274,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 274
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,275,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 275
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,276,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 276
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,277,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 277
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,278,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 278
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,279,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 279
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,280,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 280
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,281,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 281
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,282,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 282
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,283,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 283
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,284,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 284
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,285,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 285
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,286,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 286
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,287,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 287
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,288,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 288
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,289,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 289
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,290,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 290
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,291,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 291
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,292,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 292
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,293,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 293
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,294,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 294
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,295,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 295
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,296,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 296
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,297,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 297
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,298,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 298
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,299,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 299
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,300,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 300
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,301,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 301
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,302,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 302
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,303,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 303
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,304,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 304
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,305,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 305
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,306,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 306
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,307,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 307
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,308,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 308
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,309,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 309
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,310,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 310
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,311,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 311
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,312,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 312
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,313,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 313
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,314,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 314
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,315,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 315
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,316,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 316
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,317,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 317
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,318,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 318
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,319,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 319
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,320,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 320
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,321,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 321
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,322,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 322
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,323,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 323
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,324,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 324
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,325,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 325
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,326,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 326
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,327,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 327
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,328,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 328
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,329,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 329
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,330,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 330
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,331,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 331
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,332,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 332
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,333,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 333
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,334,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 334
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,335,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 335
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,336,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 336
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,337,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 337
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,338,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 338
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,339,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 339
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,340,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 340
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,341,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 341
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,342,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 342
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,343,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 343
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,344,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 344
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,345,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 345
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,346,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 346
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,347,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 347
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,348,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 348
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,349,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 349
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,350,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 350
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,351,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 351
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,352,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 352
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,353,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 353
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,354,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 354
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,355,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 355
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,356,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 356
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,357,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 357
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,358,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 358
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,359,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 359
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,360,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 360
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,361,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 361
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,362,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 362
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,363,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 363
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,364,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 364
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,365,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 365
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,366,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 366
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,367,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 367
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,368,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 368
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,369,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 369
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,370,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 370
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,371,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 371
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,372,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 372
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,373,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 373
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,374,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 374
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,375,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 375
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,376,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 376
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,377,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 377
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,378,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 378
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,379,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 379
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,380,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 380
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,381,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 381
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,382,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 382
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 30

1,383,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 383
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 31

1,384,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 384
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 32

1,385,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 385
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 33

1,386,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 386
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 34

1,387,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 387
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 35

1,388,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 388
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 36

1,389,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 389
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,390,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 390
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,391,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 391
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,392,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 392
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,393,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 393
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,394,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 394
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,395,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 395
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,396,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 396
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,397,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 397
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,398,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 398
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,399,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 399
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,400,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 400
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,401,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 401
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,402,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 402
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,403,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 403
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,404,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 404
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,405,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 405
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 38

1,406,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 406
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 39

1,407,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 407
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,408,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 408
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,409,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 409
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,410,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 410
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,411,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 411
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

1,412,bmse000600
type: ambiguous atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
ambiguous atom chem shift.assigned chem shift list id: 1
ambiguous atom chem shift.atom chem shift id: 412
ambiguous atom chem shift.entry id: bmse000600
ambiguous atom chem shift.ambiguous shift set id: 37

bmse000600,1
type: assembly
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
assembly.entry id: bmse000600
assembly.id: 1
assembly.name: (+)alpha-tocopherol
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

bmse000600
referenced by assembly: bmse000600,1
referenced by assigned chem shift list: bmse000600,1
referenced by chem comp: bmse000600,1
referenced by chem comp atom: O31,1,bmse000600
referenced by chem comp atom: O30,1,bmse000600
referenced by chem comp atom: C29,1,bmse000600
referenced by chem comp atom: C18,1,bmse000600
referenced by chem comp atom: C19,1,bmse000600
referenced by chem comp atom: C11,1,bmse000600
referenced by chem comp atom: C22,1,bmse000600
referenced by chem comp atom: C16,1,bmse000600
referenced by chem comp atom: C17,1,bmse000600
referenced by chem comp atom: C15,1,bmse000600
referenced by chem comp atom: C8,1,bmse000600
referenced by chem comp atom: C26,1,bmse000600
referenced by chem comp atom: C10,1,bmse000600
referenced by chem comp atom: C28,1,bmse000600
referenced by chem comp atom: C14,1,bmse000600
referenced by chem comp atom: C21,1,bmse000600
referenced by chem comp atom: C4,1,bmse000600
referenced by chem comp atom: C13,1,bmse000600
referenced by chem comp atom: C25,1,bmse000600
referenced by chem comp atom: C24,1,bmse000600
referenced by chem comp atom: C9,1,bmse000600
referenced by chem comp atom: C23,1,bmse000600
referenced by chem comp atom: C3,1,bmse000600
referenced by chem comp atom: C27,1,bmse000600
referenced by chem comp atom: C12,1,bmse000600
referenced by chem comp atom: C20,1,bmse000600
referenced by chem comp atom: C7,1,bmse000600
referenced by chem comp atom: C6,1,bmse000600
referenced by chem comp atom: C5,1,bmse000600
referenced by chem comp atom: C1,1,bmse000600
referenced by chem comp atom: C2,1,bmse000600
referenced by chem comp atom: H74,1,bmse000600
referenced by chem comp atom: H75,1,bmse000600
referenced by chem comp atom: H76,1,bmse000600
referenced by chem comp atom: H77,1,bmse000600
referenced by chem comp atom: H60,1,bmse000600
referenced by chem comp atom: H61,1,bmse000600
referenced by chem comp atom: H80,1,bmse000600
referenced by chem comp atom: H70,1,bmse000600
referenced by chem comp atom: H71,1,bmse000600
referenced by chem comp atom: H72,1,bmse000600
referenced by chem comp atom: H73,1,bmse000600
referenced by chem comp atom: H68,1,bmse000600
referenced by chem comp atom: H69,1,bmse000600
referenced by chem comp atom: H53,1,bmse000600
referenced by chem comp atom: H54,1,bmse000600
referenced by chem comp atom: H55,1,bmse000600
referenced by chem comp atom: H58,1,bmse000600
referenced by chem comp atom: H59,1,bmse000600
referenced by chem comp atom: H66,1,bmse000600
referenced by chem comp atom: H67,1,bmse000600
referenced by chem comp atom: H79,1,bmse000600
referenced by chem comp atom: H42,1,bmse000600
referenced by chem comp atom: H41,1,bmse000600
referenced by chem comp atom: H43,1,bmse000600
referenced by chem comp atom: H64,1,bmse000600
referenced by chem comp atom: H65,1,bmse000600
referenced by chem comp atom: H56,1,bmse000600
referenced by chem comp atom: H57,1,bmse000600
referenced by chem comp atom: H38,1,bmse000600
referenced by chem comp atom: H40,1,bmse000600
referenced by chem comp atom: H39,1,bmse000600
referenced by chem comp atom: H62,1,bmse000600
referenced by chem comp atom: H63,1,bmse000600
referenced by chem comp atom: H78,1,bmse000600
referenced by chem comp atom: H51,1,bmse000600
referenced by chem comp atom: H52,1,bmse000600
referenced by chem comp atom: H50,1,bmse000600
referenced by chem comp atom: H48,1,bmse000600
referenced by chem comp atom: H49,1,bmse000600
referenced by chem comp atom: H47,1,bmse000600
referenced by chem comp atom: H44,1,bmse000600
referenced by chem comp atom: H45,1,bmse000600
referenced by chem comp atom: H46,1,bmse000600
referenced by chem comp atom: H32,1,bmse000600
referenced by chem comp atom: H33,1,bmse000600
referenced by chem comp atom: H34,1,bmse000600

bmse000600,1
type: assigned chem shift list
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
assigned chem shift list.entry id: bmse000600
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,bmse000600,1
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 1
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C29
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: 77.18

1,bmse000600,2
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 2
atom chem shift.ambiguity code: 4
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: 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: 42.518

1,bmse000600,3
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 3
atom chem shift.ambiguity code: 4
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: 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: 42.445

1,bmse000600,4
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 4
atom chem shift.ambiguity code: 4
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: 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: 42.027

1,bmse000600,5
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 5
atom chem shift.ambiguity code: 4
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: 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: 40.218

1,bmse000600,6
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 6
atom chem shift.ambiguity code: 4
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: 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: 40.104

1,bmse000600,7
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 7
atom chem shift.ambiguity code: 4
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: 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: 40.048

1,bmse000600,8
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 8
atom chem shift.ambiguity code: 4
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: 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: 39.945

1,bmse000600,9
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 9
atom chem shift.ambiguity code: 4
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: 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: 34.188

1,bmse000600,10
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 10
atom chem shift.ambiguity code: 4
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: 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: 34.137

1,bmse000600,11
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 11
atom chem shift.ambiguity code: 4
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: 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: 27.472

1,bmse000600,12
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 12
atom chem shift.ambiguity code: 4
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: 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: 27.104

1,bmse000600,13
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 13
atom chem shift.ambiguity code: 4
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: 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: 23.717

1,bmse000600,14
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 14
atom chem shift.ambiguity code: 4
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: 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: 23.417

1,bmse000600,15
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 15
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: 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: 42.518

1,bmse000600,16
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 16
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: 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: 42.445

1,bmse000600,17
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 17
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: 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: 42.027

1,bmse000600,18
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 18
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: 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: 40.218

1,bmse000600,19
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 19
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: 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: 40.104

1,bmse000600,20
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 20
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: 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: 40.048

1,bmse000600,21
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 21
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: 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: 39.945

1,bmse000600,22
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 22
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: 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: 34.188

1,bmse000600,23
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 23
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: 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: 34.137

1,bmse000600,24
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 24
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: 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: 27.472

1,bmse000600,25
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 25
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: 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: 27.104

1,bmse000600,26
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 26
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: 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: 23.717

1,bmse000600,27
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 27
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: 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: 23.417

1,bmse000600,28
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 28
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: 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: 42.518

1,bmse000600,29
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 29
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: 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: 42.445

1,bmse000600,30
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 30
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: 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: 42.027

1,bmse000600,31
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 31
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: 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: 40.218

1,bmse000600,32
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 32
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: 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: 40.104

1,bmse000600,33
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 33
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: 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: 40.048

1,bmse000600,34
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 34
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: 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: 39.945

1,bmse000600,35
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 35
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: 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: 34.188

1,bmse000600,36
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 36
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: 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: 34.137

1,bmse000600,37
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 37
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: 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: 27.472

1,bmse000600,38
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 38
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: 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: 27.104

1,bmse000600,39
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 39
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: 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: 23.717

1,bmse000600,40
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 40
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: 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: 23.417

1,bmse000600,41
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 41
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: 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: 35.441

1,bmse000600,42
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 42
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: 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: 35.357

1,bmse000600,43
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 42.518

1,bmse000600,44
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 42.445

1,bmse000600,45
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 42.027

1,bmse000600,46
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 40.218

1,bmse000600,47
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 40.104

1,bmse000600,48
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 40.048

1,bmse000600,49
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 39.945

1,bmse000600,50
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 50
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: 34.188

1,bmse000600,51
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 51
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: 34.137

1,bmse000600,52
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 52
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: 27.472

1,bmse000600,53
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 53
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: 27.104

1,bmse000600,54
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 54
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: 23.717

1,bmse000600,55
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 55
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: 23.417

1,bmse000600,56
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 56
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: 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: 42.518

1,bmse000600,57
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 57
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: 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: 42.445

1,bmse000600,58
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 58
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: 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: 42.027

1,bmse000600,59
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 59
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: 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: 40.218

1,bmse000600,60
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 60
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: 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: 40.104

1,bmse000600,61
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 61
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: 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: 40.048

1,bmse000600,62
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 62
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: 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: 39.945

1,bmse000600,63
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 63
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: 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: 34.188

1,bmse000600,64
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 64
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: 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: 34.137

1,bmse000600,65
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 65
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: 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: 27.472

1,bmse000600,66
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 66
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: 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: 27.104

1,bmse000600,67
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 67
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: 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: 23.717

1,bmse000600,68
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 68
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: 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: 23.417

1,bmse000600,69
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 69
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: 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: 42.518

1,bmse000600,70
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 70
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: 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: 42.445

1,bmse000600,71
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 71
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: 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: 42.027

1,bmse000600,72
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 72
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: 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: 40.218

1,bmse000600,73
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 73
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: 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: 40.104

1,bmse000600,74
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 74
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: 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: 40.048

1,bmse000600,75
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 75
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: 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: 39.945

1,bmse000600,76
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 76
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: 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: 34.188

1,bmse000600,77
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 77
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: 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: 34.137

1,bmse000600,78
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 78
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: 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: 27.472

1,bmse000600,79
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 79
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: 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: 27.104

1,bmse000600,80
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 80
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: 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: 23.717

1,bmse000600,81
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 81
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: 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: 23.417

1,bmse000600,82
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 82
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: 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: 26.448

1,bmse000600,83
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 83
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: 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: 25.386

1,bmse000600,84
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 84
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: 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: 25.292

1,bmse000600,85
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 85
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: 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: 22.403

1,bmse000600,86
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 86
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: 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: 22.342

1,bmse000600,87
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 87
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: 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: 125.267

1,bmse000600,88
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 88
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: 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: 123.651

1,bmse000600,89
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 89
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: 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: 121.113

1,bmse000600,90
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 90
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: 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: 120.007

1,bmse000600,91
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 42.518

1,bmse000600,92
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 42.445

1,bmse000600,93
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 42.027

1,bmse000600,94
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 94
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: 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: 40.218

1,bmse000600,95
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 95
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: 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: 40.104

1,bmse000600,96
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 96
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: 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: 40.048

1,bmse000600,97
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 97
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: 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: 39.945

1,bmse000600,98
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 98
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: 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: 34.188

1,bmse000600,99
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 99
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: 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: 34.137

1,bmse000600,100
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 100
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: 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: 27.472

1,bmse000600,101
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 101
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: 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: 27.104

1,bmse000600,102
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 102
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: 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: 23.717

1,bmse000600,103
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 103
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: 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: 23.417

1,bmse000600,104
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 104
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C28
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: 148.192

1,bmse000600,105
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 105
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C28
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: 147.173

1,bmse000600,106
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 106
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: 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: 42.518

1,bmse000600,107
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 107
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: 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: 42.445

1,bmse000600,108
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 108
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: 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: 42.027

1,bmse000600,109
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 109
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: 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: 40.218

1,bmse000600,110
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 110
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: 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: 40.104

1,bmse000600,111
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 111
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: 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: 40.048

1,bmse000600,112
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 112
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: 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: 39.945

1,bmse000600,113
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 113
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: 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: 34.188

1,bmse000600,114
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 114
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: 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: 34.137

1,bmse000600,115
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 115
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: 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: 27.472

1,bmse000600,116
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 116
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: 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: 27.104

1,bmse000600,117
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 117
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: 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: 23.717

1,bmse000600,118
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 118
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: 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: 23.417

1,bmse000600,119
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 119
atom chem shift.ambiguity code: 4
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: 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: 35.441

1,bmse000600,120
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 120
atom chem shift.ambiguity code: 4
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: 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: 35.357

1,bmse000600,121
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 121
atom chem shift.ambiguity code: 4
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: 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: 26.448

1,bmse000600,122
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 122
atom chem shift.ambiguity code: 4
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: 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: 25.386

1,bmse000600,123
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 123
atom chem shift.ambiguity code: 4
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: 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: 25.292

1,bmse000600,124
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 124
atom chem shift.ambiguity code: 4
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: 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: 22.403

1,bmse000600,125
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 125
atom chem shift.ambiguity code: 4
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: 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: 22.342

1,bmse000600,126
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 126
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: 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: 42.518

1,bmse000600,127
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 127
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: 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: 42.445

1,bmse000600,128
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 128
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: 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: 42.027

1,bmse000600,129
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 129
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: 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: 40.218

1,bmse000600,130
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 130
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: 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: 40.104

1,bmse000600,131
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 131
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: 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: 40.048

1,bmse000600,132
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 132
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: 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: 39.945

1,bmse000600,133
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 133
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: 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: 34.188

1,bmse000600,134
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 134
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: 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: 34.137

1,bmse000600,135
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 135
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: 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: 27.472

1,bmse000600,136
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 136
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: 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: 27.104

1,bmse000600,137
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 137
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: 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: 23.717

1,bmse000600,138
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 138
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: 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: 23.417

1,bmse000600,139
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 139
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: 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: 125.267

1,bmse000600,140
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 140
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: 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: 123.651

1,bmse000600,141
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 141
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: 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: 121.113

1,bmse000600,142
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 142
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: 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: 120.007

1,bmse000600,143
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 143
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: 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: 125.267

1,bmse000600,144
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 144
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: 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: 123.651

1,bmse000600,145
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 145
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: 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: 121.113

1,bmse000600,146
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 146
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: 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: 120.007

1,bmse000600,147
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 147
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: 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: 42.518

1,bmse000600,148
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 148
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: 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: 42.445

1,bmse000600,149
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 149
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: 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: 42.027

1,bmse000600,150
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 150
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: 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: 40.218

1,bmse000600,151
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 151
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: 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: 40.104

1,bmse000600,152
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 152
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: 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: 40.048

1,bmse000600,153
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 153
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: 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: 39.945

1,bmse000600,154
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 154
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: 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: 34.188

1,bmse000600,155
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 155
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: 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: 34.137

1,bmse000600,156
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 156
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: 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: 27.472

1,bmse000600,157
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 157
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: 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: 27.104

1,bmse000600,158
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 158
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: 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: 23.717

1,bmse000600,159
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 159
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: 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: 23.417

1,bmse000600,160
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 160
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: 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: 125.267

1,bmse000600,161
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 161
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: 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: 123.651

1,bmse000600,162
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 162
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: 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: 121.113

1,bmse000600,163
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 163
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: 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: 120.007

1,bmse000600,164
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 164
atom chem shift.ambiguity code: 4
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: 26.448

1,bmse000600,165
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 165
atom chem shift.ambiguity code: 4
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: 25.386

1,bmse000600,166
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 166
atom chem shift.ambiguity code: 4
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: 25.292

1,bmse000600,167
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 167
atom chem shift.ambiguity code: 4
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: 22.403

1,bmse000600,168
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 168
atom chem shift.ambiguity code: 4
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: 22.342

1,bmse000600,169
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 169
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: 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: 148.192

1,bmse000600,170
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 170
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: 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: 147.173

1,bmse000600,171
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 171
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: 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: 125.267

1,bmse000600,172
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 172
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: 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: 123.651

1,bmse000600,173
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 173
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: 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: 121.113

1,bmse000600,174
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 174
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: 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: 120.007

1,bmse000600,175
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 175
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: 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: 42.518

1,bmse000600,176
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 176
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: 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: 42.445

1,bmse000600,177
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 177
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: 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: 42.027

1,bmse000600,178
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 178
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: 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: 40.218

1,bmse000600,179
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 179
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: 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: 40.104

1,bmse000600,180
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 180
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: 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: 40.048

1,bmse000600,181
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 181
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: 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: 39.945

1,bmse000600,182
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 182
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: 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: 34.188

1,bmse000600,183
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 183
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: 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: 34.137

1,bmse000600,184
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 184
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: 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: 27.472

1,bmse000600,185
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 185
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: 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: 27.104

1,bmse000600,186
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 186
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: 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: 23.717

1,bmse000600,187
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 187
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: 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: 23.417

1,bmse000600,188
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 188
atom chem shift.ambiguity code: 1
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: 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: 30.64

1,bmse000600,189
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 189
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: 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: 14.871

1,bmse000600,190
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 190
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: 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: 14.437

1,bmse000600,191
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 191
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: 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: 13.939

1,bmse000600,192
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 14.871

1,bmse000600,193
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 14.437

1,bmse000600,194
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 13.939

1,bmse000600,195
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 195
atom chem shift.ambiguity code: 4
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: C29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 14.871

1,bmse000600,196
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 196
atom chem shift.ambiguity code: 4
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: C29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 14.437

1,bmse000600,197
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 197
atom chem shift.ambiguity code: 4
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: C29
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 13.939

1,bmse000600,198
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 198
atom chem shift.ambiguity code: 4
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: C30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 26.448

1,bmse000600,199
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 199
atom chem shift.ambiguity code: 4
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: C30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 25.386

1,bmse000600,200
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 200
atom chem shift.ambiguity code: 4
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: C30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 25.292

1,bmse000600,201
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 201
atom chem shift.ambiguity code: 4
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: C30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 22.403

1,bmse000600,202
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 202
atom chem shift.ambiguity code: 4
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: C30
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 22.342

1,bmse000600,203
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 203
atom chem shift.ambiguity code: 4
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: C31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 26.448

1,bmse000600,204
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 204
atom chem shift.ambiguity code: 4
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: C31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 25.386

1,bmse000600,205
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 205
atom chem shift.ambiguity code: 4
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: C31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 25.292

1,bmse000600,206
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 206
atom chem shift.ambiguity code: 4
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: C31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 22.403

1,bmse000600,207
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 207
atom chem shift.ambiguity code: 4
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: C31
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 22.342

1,bmse000600,208
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 208
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: 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: 2.600

1,bmse000600,209
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 209
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: 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: 1.781

1,bmse000600,210
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 210
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: 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: 1.264

1,bmse000600,211
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 211
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: 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: 1.225

1,bmse000600,212
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 212
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: 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: 1.100

1,bmse000600,213
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 213
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: 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: 1.373

1,bmse000600,214
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 214
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: 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: 1.535

1,bmse000600,215
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 215
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: 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: 2.600

1,bmse000600,216
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 216
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: 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: 1.781

1,bmse000600,217
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 217
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: 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: 1.264

1,bmse000600,218
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 218
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: 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: 1.225

1,bmse000600,219
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 219
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: 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: 1.100

1,bmse000600,220
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 220
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: 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: 1.373

1,bmse000600,221
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 221
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: 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: 1.535

1,bmse000600,222
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 222
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: 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: 2.600

1,bmse000600,223
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 223
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: 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: 1.781

1,bmse000600,224
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 224
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: 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: 1.264

1,bmse000600,225
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 225
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: 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: 1.225

1,bmse000600,226
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 226
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: 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: 1.100

1,bmse000600,227
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 227
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: 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: 1.373

1,bmse000600,228
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 228
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: 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: 1.535

1,bmse000600,229
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 229
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H77
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: 2.600

1,bmse000600,230
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 230
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H77
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: 1.781

1,bmse000600,231
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 231
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H77
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: 1.264

1,bmse000600,232
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 232
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H77
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: 1.225

1,bmse000600,233
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 233
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H77
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: 1.100

1,bmse000600,234
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 234
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H77
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: 1.373

1,bmse000600,235
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 235
atom chem shift.ambiguity code: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H77
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: 1.535

1,bmse000600,236
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 236
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: 2.600

1,bmse000600,237
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 237
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: 1.781

1,bmse000600,238
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 238
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: 1.264

1,bmse000600,239
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 239
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: 1.225

1,bmse000600,240
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 240
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: 1.100

1,bmse000600,241
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 241
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: 1.373

1,bmse000600,242
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 242
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: 1.535

1,bmse000600,243
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 243
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: 2.600

1,bmse000600,244
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 244
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: 1.781

1,bmse000600,245
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 245
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: 1.264

1,bmse000600,246
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 246
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: 1.225

1,bmse000600,247
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 247
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: 1.100

1,bmse000600,248
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 248
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: 1.373

1,bmse000600,249
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 249
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: 1.535

1,bmse000600,250
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 250
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: 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: 2.600

1,bmse000600,251
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 251
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: 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: 1.781

1,bmse000600,252
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 1.264

1,bmse000600,253
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 1.225

1,bmse000600,254
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 1.100

1,bmse000600,255
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 1.373

1,bmse000600,256
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 1.535

1,bmse000600,257
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 257
atom chem shift.ambiguity code: 4
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: 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: 2.600

1,bmse000600,258
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 258
atom chem shift.ambiguity code: 4
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: 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: 1.781

1,bmse000600,259
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 259
atom chem shift.ambiguity code: 4
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: 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: 1.264

1,bmse000600,260
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 260
atom chem shift.ambiguity code: 4
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: 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: 1.225

1,bmse000600,261
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 261
atom chem shift.ambiguity code: 4
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: 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: 1.100

1,bmse000600,262
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 262
atom chem shift.ambiguity code: 4
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: 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: 1.373

1,bmse000600,263
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 263
atom chem shift.ambiguity code: 4
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: 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: 1.535

1,bmse000600,264
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 264
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: 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: 2.600

1,bmse000600,265
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 265
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: 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: 1.781

1,bmse000600,266
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 266
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: 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: 1.264

1,bmse000600,267
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 267
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: 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: 1.225

1,bmse000600,268
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 268
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: 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: 1.100

1,bmse000600,269
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 269
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: 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: 1.373

1,bmse000600,270
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 270
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: 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: 1.535

1,bmse000600,271
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 271
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: 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: 2.600

1,bmse000600,272
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 272
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: 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: 1.781

1,bmse000600,273
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 273
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: 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: 1.264

1,bmse000600,274
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 274
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: 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: 1.225

1,bmse000600,275
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 275
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: 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: 1.100

1,bmse000600,276
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 276
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: 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: 1.373

1,bmse000600,277
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 277
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: 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: 1.535

1,bmse000600,278
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 278
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: 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: 2.600

1,bmse000600,279
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 279
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: 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: 1.781

1,bmse000600,280
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 280
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: 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: 1.264

1,bmse000600,281
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 281
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: 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: 1.225

1,bmse000600,282
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 282
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: 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: 1.100

1,bmse000600,283
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 283
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: 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: 1.373

1,bmse000600,284
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 284
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: 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: 1.535

1,bmse000600,285
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 285
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: 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: 2.600

1,bmse000600,286
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 286
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: 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: 1.781

1,bmse000600,287
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 287
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: 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: 1.264

1,bmse000600,288
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 288
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: 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: 1.225

1,bmse000600,289
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 289
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: 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: 1.100

1,bmse000600,290
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 290
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: 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: 1.373

1,bmse000600,291
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 291
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: 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: 1.535

1,bmse000600,292
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 2.600

1,bmse000600,293
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 1.781

1,bmse000600,294
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 294
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: 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: 1.264

1,bmse000600,295
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 295
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: 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: 1.225

1,bmse000600,296
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 296
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: 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: 1.100

1,bmse000600,297
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 297
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: 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: 1.373

1,bmse000600,298
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 298
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: 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: 1.535

1,bmse000600,299
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 2.600

1,bmse000600,300
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 300
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: 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: 1.781

1,bmse000600,301
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 301
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: 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: 1.264

1,bmse000600,302
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 302
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: 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: 1.225

1,bmse000600,303
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 303
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: 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: 1.100

1,bmse000600,304
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 304
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: 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: 1.373

1,bmse000600,305
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 305
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: 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: 1.535

1,bmse000600,306
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 306
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: 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: 2.600

1,bmse000600,307
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 307
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: 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: 1.781

1,bmse000600,308
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 308
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: 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: 1.264

1,bmse000600,309
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 309
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: 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: 1.225

1,bmse000600,310
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 310
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: 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: 1.100

1,bmse000600,311
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 311
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: 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: 1.373

1,bmse000600,312
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 312
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: 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: 1.535

1,bmse000600,313
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 313
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: 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: 2.600

1,bmse000600,314
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 314
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: 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: 1.781

1,bmse000600,315
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 315
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: 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: 1.264

1,bmse000600,316
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 316
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: 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: 1.225

1,bmse000600,317
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 317
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: 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: 1.100

1,bmse000600,318
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 318
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: 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: 1.373

1,bmse000600,319
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 319
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: 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: 1.535

1,bmse000600,320
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 320
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: 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: 2.600

1,bmse000600,321
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 321
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: 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: 1.781

1,bmse000600,322
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 322
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: 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: 1.264

1,bmse000600,323
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 323
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: 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: 1.225

1,bmse000600,324
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 324
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: 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: 1.100

1,bmse000600,325
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 325
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: 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: 1.373

1,bmse000600,326
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 326
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: 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: 1.535

1,bmse000600,327
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 327
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: 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: 2.600

1,bmse000600,328
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 328
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: 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: 1.781

1,bmse000600,329
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 329
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: 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: 1.264

1,bmse000600,330
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 330
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: 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: 1.225

1,bmse000600,331
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 331
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: 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: 1.100

1,bmse000600,332
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 332
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: 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: 1.373

1,bmse000600,333
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 333
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: 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: 1.535

1,bmse000600,334
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 334
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: 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: 2.600

1,bmse000600,335
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 335
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: 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: 1.781

1,bmse000600,336
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 336
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: 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: 1.264

1,bmse000600,337
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 337
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: 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: 1.225

1,bmse000600,338
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 338
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: 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: 1.100

1,bmse000600,339
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 339
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: 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: 1.373

1,bmse000600,340
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 340
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: 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: 1.535

1,bmse000600,341
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 341
atom chem shift.ambiguity code: 4
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: 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: 0.850

1,bmse000600,342
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 342
atom chem shift.ambiguity code: 4
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: 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: 0.850

1,bmse000600,343
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 343
atom chem shift.ambiguity code: 4
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: 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: 0.850

1,bmse000600,344
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 344
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: 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: 2.600

1,bmse000600,345
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 345
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: 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: 1.781

1,bmse000600,346
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 346
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: 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: 1.264

1,bmse000600,347
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 347
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: 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: 1.225

1,bmse000600,348
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 348
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: 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: 1.100

1,bmse000600,349
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 349
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: 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: 1.373

1,bmse000600,350
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 350
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: 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: 1.535

1,bmse000600,351
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 351
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: 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: 2.600

1,bmse000600,352
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 352
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: 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: 1.781

1,bmse000600,353
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 353
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: 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: 1.264

1,bmse000600,354
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 354
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: 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: 1.225

1,bmse000600,355
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 355
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: 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: 1.100

1,bmse000600,356
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 356
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: 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: 1.373

1,bmse000600,357
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 357
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: 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: 1.535

1,bmse000600,358
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 358
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: 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: 2.600

1,bmse000600,359
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 359
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: 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: 1.781

1,bmse000600,360
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 360
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: 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: 1.264

1,bmse000600,361
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 361
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: 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: 1.225

1,bmse000600,362
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 362
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: 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: 1.100

1,bmse000600,363
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 363
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: 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: 1.373

1,bmse000600,364
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 364
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: 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: 1.535

1,bmse000600,365
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 365
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: 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: 2.600

1,bmse000600,366
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 366
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: 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: 1.781

1,bmse000600,367
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 367
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: 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: 1.264

1,bmse000600,368
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 368
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: 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: 1.225

1,bmse000600,369
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 369
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: 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: 1.100

1,bmse000600,370
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 370
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: 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: 1.373

1,bmse000600,371
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 371
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: 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: 1.535

1,bmse000600,372
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 372
atom chem shift.ambiguity code: 4
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: 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: 0.850

1,bmse000600,373
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 373
atom chem shift.ambiguity code: 4
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: 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: 0.850

1,bmse000600,374
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 374
atom chem shift.ambiguity code: 4
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: 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: 0.850

1,bmse000600,375
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 375
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: 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: 2.600

1,bmse000600,376
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 376
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: 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: 1.781

1,bmse000600,377
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 377
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: 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: 1.264

1,bmse000600,378
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 378
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: 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: 1.225

1,bmse000600,379
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 379
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: 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: 1.100

1,bmse000600,380
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 380
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: 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: 1.373

1,bmse000600,381
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 381
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: 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: 1.535

1,bmse000600,382
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 382
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: 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: 2.600

1,bmse000600,383
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 383
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: 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: 1.781

1,bmse000600,384
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 384
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: 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: 1.264

1,bmse000600,385
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 385
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: 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: 1.225

1,bmse000600,386
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 386
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: 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: 1.100

1,bmse000600,387
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 387
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: 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: 1.373

1,bmse000600,388
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 388
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: 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: 1.535

1,bmse000600,389
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 389
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: 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: 2.157

1,bmse000600,390
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 390
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: 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: 2.109

1,bmse000600,391
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 391
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: 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: 2.157

1,bmse000600,392
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 392
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: 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: 2.109

1,bmse000600,393
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 393
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: 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: 2.157

1,bmse000600,394
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 394
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: 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: 2.109

1,bmse000600,395
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 395
atom chem shift.ambiguity code: 4
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: 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: 2.157

1,bmse000600,396
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 396
atom chem shift.ambiguity code: 4
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: 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: 2.109

1,bmse000600,397
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 397
atom chem shift.ambiguity code: 4
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: 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: 2.157

1,bmse000600,398
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 398
atom chem shift.ambiguity code: 4
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: 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: 2.109

1,bmse000600,399
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 399
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: 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: 2.157

1,bmse000600,400
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 400
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: 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: 2.109

1,bmse000600,401
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 401
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: 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: 2.157

1,bmse000600,402
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 402
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: 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: 2.109

1,bmse000600,403
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 403
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: 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: 2.157

1,bmse000600,404
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 404
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: 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: 2.109

1,bmse000600,405
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
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: 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: 2.157

1,bmse000600,406
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 406
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: 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: 2.109

1,bmse000600,407
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 407
atom chem shift.ambiguity code: 4
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: 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: 0.850

1,bmse000600,408
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 408
atom chem shift.ambiguity code: 4
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: 0.850

1,bmse000600,409
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 409
atom chem shift.ambiguity code: 4
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: H77
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.850

1,bmse000600,410
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 410
atom chem shift.ambiguity code: 4
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: H78
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.850

1,bmse000600,411
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 411
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: H79
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.850

1,bmse000600,412
type: atom chem shift
of datablock: info:bmrb.metabolomics/bmse000600
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: bmse000600
atom chem shift.id: 412
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: H80
atom chem shift.comp id: 1
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 0
atom chem shift.entity id: 1
atom chem shift.seq id: 0
atom chem shift.val: 0.850

O31,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: O31
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: O1
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: O31
atom nomenclature.naming system: ALATIS

O30,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: O30
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: O2
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: O30
atom nomenclature.naming system: ALATIS

C29,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C29
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C3
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C29
atom nomenclature.naming system: ALATIS

C18,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C18
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C4
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C18
atom nomenclature.naming system: ALATIS

C19,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C19
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C5
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C19
atom nomenclature.naming system: ALATIS

C11,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C11
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C6
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C11
atom nomenclature.naming system: ALATIS

C22,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C22
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C7
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C22
atom nomenclature.naming system: ALATIS

C16,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C16
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C8
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C16
atom nomenclature.naming system: ALATIS

C17,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C17
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C9
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C17
atom nomenclature.naming system: ALATIS

C15,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C15
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C10
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C15
atom nomenclature.naming system: ALATIS

C8,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C8
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C11
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C8
atom nomenclature.naming system: ALATIS

C26,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C26
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C12
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C26
atom nomenclature.naming system: ALATIS

C10,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C10
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C13
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C10
atom nomenclature.naming system: ALATIS

C28,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C28
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C14
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C28
atom nomenclature.naming system: ALATIS

C14,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C14
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C15
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C14
atom nomenclature.naming system: ALATIS

C21,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C21
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C16
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C21
atom nomenclature.naming system: ALATIS

C4,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C4
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C17
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C4
atom nomenclature.naming system: ALATIS

C13,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C13
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C18
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C13
atom nomenclature.naming system: ALATIS

C25,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C25
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C19
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C25
atom nomenclature.naming system: ALATIS

C24,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C24
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C20
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C24
atom nomenclature.naming system: ALATIS

C9,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C9
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C21
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C9
atom nomenclature.naming system: ALATIS

C23,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C23
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C22
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C23
atom nomenclature.naming system: ALATIS

C3,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C3
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C23
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C3
atom nomenclature.naming system: ALATIS

C27,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C27
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C24
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C27
atom nomenclature.naming system: ALATIS

C12,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C12
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C25
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C12
atom nomenclature.naming system: ALATIS

C20,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C20
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C26
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C20
atom nomenclature.naming system: ALATIS

C7,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C7
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C27
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C7
atom nomenclature.naming system: ALATIS

C6,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C6
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C28
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C6
atom nomenclature.naming system: ALATIS

C5,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C5
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C29
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C5
atom nomenclature.naming system: ALATIS

C1,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C1
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C30
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C1
atom nomenclature.naming system: ALATIS

C2,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: C2
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: C31
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: C2
atom nomenclature.naming system: ALATIS

H74,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H74
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H32
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H74
atom nomenclature.naming system: ALATIS

H75,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H75
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H33
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H75
atom nomenclature.naming system: ALATIS

H76,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H76
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H34
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H76
atom nomenclature.naming system: ALATIS

H77,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H77
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H35
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H77
atom nomenclature.naming system: ALATIS

H60,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H60
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H36
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H60
atom nomenclature.naming system: ALATIS

H61,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H61
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H37
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H61
atom nomenclature.naming system: ALATIS

H80,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H80
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H38
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H80
atom nomenclature.naming system: ALATIS

H70,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H70
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H39
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H70
atom nomenclature.naming system: ALATIS

H71,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H71
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H40
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H71
atom nomenclature.naming system: ALATIS

H72,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H72
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H41
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H72
atom nomenclature.naming system: ALATIS

H73,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H73
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H42
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H73
atom nomenclature.naming system: ALATIS

H68,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H68
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H43
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H68
atom nomenclature.naming system: ALATIS

H69,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H69
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H44
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H69
atom nomenclature.naming system: ALATIS

H53,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H53
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H45
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H53
atom nomenclature.naming system: ALATIS

H54,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H54
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H46
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H54
atom nomenclature.naming system: ALATIS

H55,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H55
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H47
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H55
atom nomenclature.naming system: ALATIS

H58,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H58
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H48
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H58
atom nomenclature.naming system: ALATIS

H59,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H59
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H49
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H59
atom nomenclature.naming system: ALATIS

H66,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H66
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H50
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H66
atom nomenclature.naming system: ALATIS

H67,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H67
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H51
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H67
atom nomenclature.naming system: ALATIS

H79,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H79
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H52
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H79
atom nomenclature.naming system: ALATIS

H42,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H42
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H53
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H42
atom nomenclature.naming system: ALATIS

H41,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H41
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H54
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H41
atom nomenclature.naming system: ALATIS

H43,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H43
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H55
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H43
atom nomenclature.naming system: ALATIS

H64,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H64
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H56
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H64
atom nomenclature.naming system: ALATIS

H65,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H65
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H57
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H65
atom nomenclature.naming system: ALATIS

H56,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H56
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H58
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H56
atom nomenclature.naming system: ALATIS

H57,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H57
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H59
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H57
atom nomenclature.naming system: ALATIS

H38,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H38
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H60
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H38
atom nomenclature.naming system: ALATIS

H40,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H40
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H61
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H40
atom nomenclature.naming system: ALATIS

H39,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H39
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H62
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H39
atom nomenclature.naming system: ALATIS

H62,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H62
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H63
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H62
atom nomenclature.naming system: ALATIS

H63,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H63
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H64
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H63
atom nomenclature.naming system: ALATIS

H78,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H78
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H65
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H78
atom nomenclature.naming system: ALATIS

H51,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H51
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H66
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H51
atom nomenclature.naming system: ALATIS

H52,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H52
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H67
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H52
atom nomenclature.naming system: ALATIS

H50,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H50
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H68
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H50
atom nomenclature.naming system: ALATIS

H48,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H48
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H69
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H48
atom nomenclature.naming system: ALATIS

H49,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H49
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H70
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H49
atom nomenclature.naming system: ALATIS

H47,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H47
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H71
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H47
atom nomenclature.naming system: ALATIS

H44,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H44
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H72
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H44
atom nomenclature.naming system: ALATIS

H45,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H45
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H73
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H45
atom nomenclature.naming system: ALATIS

H46,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H46
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H74
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H46
atom nomenclature.naming system: ALATIS

H32,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H32
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H75
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H32
atom nomenclature.naming system: ALATIS

H33,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H33
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H76
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H33
atom nomenclature.naming system: ALATIS

H34,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H34
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H77
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H34
atom nomenclature.naming system: ALATIS

H37,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H37
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H78
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H37
atom nomenclature.naming system: ALATIS

H35,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H35
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H79
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H35
atom nomenclature.naming system: ALATIS

H36,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H36
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H80
atom nomenclature.naming system: BMRB
atom nomenclature.atom name: H36
atom nomenclature.naming system: ALATIS

H81,1,bmse000600
type: atom nomenclature
of datablock: info:bmrb.metabolomics/bmse000600
atom nomenclature.atom id: H81
atom nomenclature.comp id: 1
atom nomenclature.entry id: bmse000600
atom nomenclature.atom name: H81
atom nomenclature.naming system: BMRB
atom nomenclature.naming system: ALATIS

bmse000600,1
type: chem comp
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp.entry id: bmse000600
chem comp.id: 1
chem comp.aromatic: yes
chem comp.bmrb code: bmse000600
chem comp.formula: C29 H50 O2
chem comp.formula mono iso wt 13c: 459.4784
chem comp.formula mono iso wt 13c 15n: 459.4784
chem comp.formula mono iso wt 15n: 430.3811
chem comp.formula mono iso wt nat: 430.3811
chem comp.formula weight: 430.7061
chem comp.image file format: png
chem comp.image file name: bmse000600.png
chem comp.inchi code: InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
chem comp.name: (+)alpha-tocopherol
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: bmse000600.mol
chem comp.type: NON-POLYMER

O31,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: O31
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 6.0290
chem comp atom.drawing 2d coord y: -2.7889
chem comp atom.pdbx ordinal: 1
chem comp atom.type symbol: O

O30,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: O30
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 2.5369
chem comp atom.drawing 2d coord y: -0.7543
chem comp atom.pdbx ordinal: 2
chem comp atom.type symbol: O

C29,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C29
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 6.9350
chem comp atom.drawing 2d coord y: -2.2751
chem comp atom.pdbx ordinal: 3
chem comp atom.type symbol: C

C18,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C18
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.9350
chem comp atom.drawing 2d coord y: -2.2790
chem comp atom.pdbx ordinal: 4
chem comp atom.type symbol: C

C19,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C19
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 6.9350
chem comp atom.drawing 2d coord y: -1.2335
chem comp atom.pdbx ordinal: 5
chem comp atom.type symbol: C

C11,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C11
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 8.4384
chem comp atom.drawing 2d coord y: -1.4149
chem comp atom.pdbx ordinal: 6
chem comp atom.type symbol: C

C22,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C22
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 9.9417
chem comp atom.drawing 2d coord y: -0.5546
chem comp atom.pdbx ordinal: 7
chem comp atom.type symbol: C

C16,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C16
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 9.4383
chem comp atom.drawing 2d coord y: -1.4187
chem comp atom.pdbx ordinal: 8
chem comp atom.type symbol: C

C17,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C17
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 6.0290
chem comp atom.drawing 2d coord y: -0.7196
chem comp atom.pdbx ordinal: 9
chem comp atom.type symbol: C

C15,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C15
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 10.9417
chem comp atom.drawing 2d coord y: -0.5585
chem comp atom.pdbx ordinal: 10
chem comp atom.type symbol: C

C8,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C8
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.4317
chem comp atom.drawing 2d coord y: -3.1430
chem comp atom.pdbx ordinal: 11
chem comp atom.type symbol: C

C26,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C26
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 5.1350
chem comp atom.drawing 2d coord y: -1.2543
chem comp atom.pdbx ordinal: 12
chem comp atom.type symbol: C

C10,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C10
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 11.4450
chem comp atom.drawing 2d coord y: 0.3056
chem comp atom.pdbx ordinal: 13
chem comp atom.type symbol: C

C28,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C28
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 5.1350
chem comp atom.drawing 2d coord y: -2.2543
chem comp atom.pdbx ordinal: 14
chem comp atom.type symbol: C

C14,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C14
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 12.4450
chem comp atom.drawing 2d coord y: 0.3018
chem comp atom.pdbx ordinal: 15
chem comp atom.type symbol: C

C21,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C21
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 12.9483
chem comp atom.drawing 2d coord y: 1.1659
chem comp atom.pdbx ordinal: 16
chem comp atom.type symbol: C

C4,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C4
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 9.4450
chem comp atom.drawing 2d coord y: 0.3133
chem comp atom.pdbx ordinal: 17
chem comp atom.type symbol: C

C13,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C13
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 13.9483
chem comp atom.drawing 2d coord y: 1.1620
chem comp atom.pdbx ordinal: 18
chem comp atom.type symbol: C

C25,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C25
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: -0.7543
chem comp atom.pdbx ordinal: 19
chem comp atom.type symbol: C

C24,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C24
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: -2.7543
chem comp atom.pdbx ordinal: 20
chem comp atom.type symbol: C

C9,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C9
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 14.4517
chem comp atom.drawing 2d coord y: 2.0261
chem comp atom.pdbx ordinal: 21
chem comp atom.type symbol: C

C23,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C23
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 3.4030
chem comp atom.drawing 2d coord y: -2.2543
chem comp atom.pdbx ordinal: 22
chem comp atom.type symbol: C

C3,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C3
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 12.4517
chem comp atom.drawing 2d coord y: 2.0338
chem comp atom.pdbx ordinal: 23
chem comp atom.type symbol: C

C27,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C27
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 3.4030
chem comp atom.drawing 2d coord y: -1.2543
chem comp atom.pdbx ordinal: 24
chem comp atom.type symbol: C

C12,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C12
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 15.4516
chem comp atom.drawing 2d coord y: 2.0222
chem comp atom.pdbx ordinal: 25
chem comp atom.type symbol: C

C20,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C20
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 15.9550
chem comp atom.drawing 2d coord y: 2.8863
chem comp atom.pdbx ordinal: 26
chem comp atom.type symbol: C

C7,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C7
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: 0.2457
chem comp atom.pdbx ordinal: 27
chem comp atom.type symbol: C

C6,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C6
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: -3.7543
chem comp atom.pdbx ordinal: 28
chem comp atom.type symbol: C

C5,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C5
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 2.5369
chem comp atom.drawing 2d coord y: -2.7543
chem comp atom.pdbx ordinal: 29
chem comp atom.type symbol: C

C1,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C1
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 16.9550
chem comp atom.drawing 2d coord y: 2.8825
chem comp atom.pdbx ordinal: 30
chem comp atom.type symbol: C

C2,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: C2
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 15.4583
chem comp atom.drawing 2d coord y: 3.7543
chem comp atom.pdbx ordinal: 31
chem comp atom.type symbol: C

H74,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H74
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.8250
chem comp atom.drawing 2d coord y: -2.8891
chem comp atom.pdbx ordinal: 32
chem comp atom.type symbol: H

H75,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H75
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 8.5168
chem comp atom.drawing 2d coord y: -2.4932
chem comp atom.pdbx ordinal: 33
chem comp atom.type symbol: H

H76,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H76
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.5459
chem comp atom.drawing 2d coord y: -1.3396
chem comp atom.pdbx ordinal: 34
chem comp atom.type symbol: H

H77,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H77
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.1441
chem comp atom.drawing 2d coord y: -0.6498
chem comp atom.pdbx ordinal: 35
chem comp atom.type symbol: H

H60,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H60
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 8.5484
chem comp atom.drawing 2d coord y: -0.8047
chem comp atom.pdbx ordinal: 36
chem comp atom.type symbol: H

H61,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H61
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.8566
chem comp atom.drawing 2d coord y: -1.2006
chem comp atom.pdbx ordinal: 37
chem comp atom.type symbol: H

H80,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H80
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 9.3217
chem comp atom.drawing 2d coord y: -0.5522
chem comp atom.pdbx ordinal: 38
chem comp atom.type symbol: H

H70,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H70
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 9.3283
chem comp atom.drawing 2d coord y: -2.0289
chem comp atom.pdbx ordinal: 39
chem comp atom.type symbol: H

H71,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H71
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 10.0201
chem comp atom.drawing 2d coord y: -1.6330
chem comp atom.pdbx ordinal: 40
chem comp atom.type symbol: H

H72,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H72
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 6.4226
chem comp atom.drawing 2d coord y: -0.2406
chem comp atom.pdbx ordinal: 41
chem comp atom.type symbol: H

H73,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H73
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 5.6244
chem comp atom.drawing 2d coord y: -0.2498
chem comp atom.pdbx ordinal: 42
chem comp atom.type symbol: H

H68,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H68
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 10.8317
chem comp atom.drawing 2d coord y: -1.1686
chem comp atom.pdbx ordinal: 43
chem comp atom.type symbol: H

H69,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H69
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 11.5235
chem comp atom.drawing 2d coord y: -0.7728
chem comp atom.pdbx ordinal: 44
chem comp atom.type symbol: H

H53,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H53
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 6.8936
chem comp atom.drawing 2d coord y: -3.4510
chem comp atom.pdbx ordinal: 45
chem comp atom.type symbol: H

H54,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H54
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.7396
chem comp atom.drawing 2d coord y: -3.6812
chem comp atom.pdbx ordinal: 46
chem comp atom.type symbol: H

H55,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H55
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 7.9698
chem comp atom.drawing 2d coord y: -2.8351
chem comp atom.pdbx ordinal: 47
chem comp atom.type symbol: H

H58,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H58
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 11.5550
chem comp atom.drawing 2d coord y: 0.9158
chem comp atom.pdbx ordinal: 48
chem comp atom.type symbol: H

H59,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H59
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 10.8632
chem comp atom.drawing 2d coord y: 0.5199
chem comp atom.pdbx ordinal: 49
chem comp atom.type symbol: H

H66,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H66
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 12.3350
chem comp atom.drawing 2d coord y: -0.3084
chem comp atom.pdbx ordinal: 50
chem comp atom.type symbol: H

H67,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H67
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 13.0268
chem comp atom.drawing 2d coord y: 0.0875
chem comp atom.pdbx ordinal: 51
chem comp atom.type symbol: H

H79,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H79
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 13.2604
chem comp atom.drawing 2d coord y: 1.7016
chem comp atom.pdbx ordinal: 52
chem comp atom.type symbol: H

H42,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H42
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 9.9831
chem comp atom.drawing 2d coord y: 0.6213
chem comp atom.pdbx ordinal: 53
chem comp atom.type symbol: H

H41,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H41
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 9.1371
chem comp atom.drawing 2d coord y: 0.8515
chem comp atom.pdbx ordinal: 54
chem comp atom.type symbol: H

H43,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H43
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 8.9069
chem comp atom.drawing 2d coord y: 0.0054
chem comp atom.pdbx ordinal: 55
chem comp atom.type symbol: H

H64,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H64
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 13.8383
chem comp atom.drawing 2d coord y: 0.5518
chem comp atom.pdbx ordinal: 56
chem comp atom.type symbol: H

H65,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H65
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 14.5301
chem comp atom.drawing 2d coord y: 0.9477
chem comp atom.pdbx ordinal: 57
chem comp atom.type symbol: H

H56,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H56
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 14.5617
chem comp atom.drawing 2d coord y: 2.6363
chem comp atom.pdbx ordinal: 58
chem comp atom.type symbol: H

H57,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H57
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 13.8699
chem comp atom.drawing 2d coord y: 2.2404
chem comp atom.pdbx ordinal: 59
chem comp atom.type symbol: H

H38,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H38
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 12.9898
chem comp atom.drawing 2d coord y: 2.3417
chem comp atom.pdbx ordinal: 60
chem comp atom.type symbol: H

H40,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H40
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 12.1437
chem comp atom.drawing 2d coord y: 2.5719
chem comp atom.pdbx ordinal: 61
chem comp atom.type symbol: H

H39,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H39
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 11.9135
chem comp atom.drawing 2d coord y: 1.7259
chem comp atom.pdbx ordinal: 62
chem comp atom.type symbol: H

H62,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H62
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 15.3416
chem comp atom.drawing 2d coord y: 1.4121
chem comp atom.pdbx ordinal: 63
chem comp atom.type symbol: H

H63,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H63
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 16.0334
chem comp atom.drawing 2d coord y: 1.8079
chem comp atom.pdbx ordinal: 64
chem comp atom.type symbol: H

H78,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H78
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 16.2629
chem comp atom.drawing 2d coord y: 2.3482
chem comp atom.pdbx ordinal: 65
chem comp atom.type symbol: H

H51,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H51
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.8890
chem comp atom.drawing 2d coord y: 0.2457
chem comp atom.pdbx ordinal: 66
chem comp atom.type symbol: H

H52,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H52
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: 0.8657
chem comp atom.pdbx ordinal: 67
chem comp atom.type symbol: H

H50,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H50
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 3.6490
chem comp atom.drawing 2d coord y: 0.2457
chem comp atom.pdbx ordinal: 68
chem comp atom.type symbol: H

H48,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H48
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 3.6490
chem comp atom.drawing 2d coord y: -3.7543
chem comp atom.pdbx ordinal: 69
chem comp atom.type symbol: H

H49,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H49
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.2690
chem comp atom.drawing 2d coord y: -4.3743
chem comp atom.pdbx ordinal: 70
chem comp atom.type symbol: H

H47,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H47
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 4.8890
chem comp atom.drawing 2d coord y: -3.7543
chem comp atom.pdbx ordinal: 71
chem comp atom.type symbol: H

H44,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H44
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 2.2269
chem comp atom.drawing 2d coord y: -2.2173
chem comp atom.pdbx ordinal: 72
chem comp atom.type symbol: H

H45,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H45
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 2.0000
chem comp atom.drawing 2d coord y: -3.0643
chem comp atom.pdbx ordinal: 73
chem comp atom.type symbol: H

H46,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H46
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 2.8469
chem comp atom.drawing 2d coord y: -3.2912
chem comp atom.pdbx ordinal: 74
chem comp atom.type symbol: H

H32,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H32
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 16.9526
chem comp atom.drawing 2d coord y: 2.2625
chem comp atom.pdbx ordinal: 75
chem comp atom.type symbol: H

H33,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H33
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 17.5750
chem comp atom.drawing 2d coord y: 2.8801
chem comp atom.pdbx ordinal: 76
chem comp atom.type symbol: H

H34,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H34
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 16.9574
chem comp atom.drawing 2d coord y: 3.5025
chem comp atom.pdbx ordinal: 77
chem comp atom.type symbol: H

H37,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H37
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 15.9965
chem comp atom.drawing 2d coord y: 4.0622
chem comp atom.pdbx ordinal: 78
chem comp atom.type symbol: H

H35,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H35
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 15.1504
chem comp atom.drawing 2d coord y: 4.2924
chem comp atom.pdbx ordinal: 79
chem comp atom.type symbol: H

H36,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H36
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 14.9202
chem comp atom.drawing 2d coord y: 3.4464
chem comp atom.pdbx ordinal: 80
chem comp atom.type symbol: H

H81,1,bmse000600
type: chem comp atom
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem comp atom.atom id: H81
chem comp atom.comp id: 1
chem comp atom.entry id: bmse000600
chem comp atom.drawing 2d coord x: 2.0000
chem comp atom.drawing 2d coord y: -1.0643
chem comp atom.pdbx ordinal: 81
chem comp atom.type symbol: H

1,bmse000600,1
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 1
chem comp bond.atom id 1: O31
chem comp bond.atom id 2: C29
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,2
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 2
chem comp bond.atom id 1: O31
chem comp bond.atom id 2: C28
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,3
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 3
chem comp bond.atom id 1: O30
chem comp bond.atom id 2: C27
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,4
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 4
chem comp bond.atom id 1: O30
chem comp bond.atom id 2: H81
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,5
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 5
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C18
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,6
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 6
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C19
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,7
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 7
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C8
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,8
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 8
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C11
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,9
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 9
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H74
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,10
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 10
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H75
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,11
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 11
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C17
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,12
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 12
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H76
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,13
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 13
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H77
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,14
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 14
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C16
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,15
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 15
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H60
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,16
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 16
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H61
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,17
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 17
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C16
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,18
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 18
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C15
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,19
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 19
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C4
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,20
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 20
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H80
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,21
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 21
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H70
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,22
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 22
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H71
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,23
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 23
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C26
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,24
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 24
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H72
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,25
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 25
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H73
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,26
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 26
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C10
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,27
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 27
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H68
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,28
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 28
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H69
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,29
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 29
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H53
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,30
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 30
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H54
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,31
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 31
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H55
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,32
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 32
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C28
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,33
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 33
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C25
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000600,34
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 34
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C14
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,35
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 35
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H58
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,36
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 36
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H59
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,37
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 37
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C24
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000600,38
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 38
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C21
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,39
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 39
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H66
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,40
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 40
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H67
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,41
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 41
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C13
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,42
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 42
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C3
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,43
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 43
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H79
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,44
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 44
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H42
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,45
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 45
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H41
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,46
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 46
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H43
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,47
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 47
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C9
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,48
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 48
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H64
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,49
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 49
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H65
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,50
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 50
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C27
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,51
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 51
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C7
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,52
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 52
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C23
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,53
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 53
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C6
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,54
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 54
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C12
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,55
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 55
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H56
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,56
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 56
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H57
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,57
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 57
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C27
chem comp bond.type: covalent
chem comp bond.value order: DOUB

1,bmse000600,58
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 58
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C5
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,59
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 59
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H38
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,60
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 60
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H40
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,61
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 61
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H39
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,62
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 62
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C20
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,63
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 63
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H62
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,64
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 64
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H63
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,65
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 65
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C1
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,66
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 66
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C2
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,67
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 67
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H78
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,68
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 68
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H51
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,69
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 69
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H52
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,70
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 70
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: H50
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,71
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 71
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H48
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,72
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 72
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H49
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,73
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 73
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H47
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,74
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 74
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H44
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,75
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 75
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H45
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,76
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 76
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H46
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,77
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 77
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H32
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,78
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 78
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H33
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,79
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 79
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H34
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,80
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 80
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H37
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,81
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 81
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H35
chem comp bond.type: covalent
chem comp bond.value order: SING

1,bmse000600,82
type: chem comp bond
of datablock: info:bmrb.metabolomics/bmse000600
chem comp bond.comp id: 1
chem comp bond.entry id: bmse000600
chem comp bond.id: 82
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H36
chem comp bond.type: covalent
chem comp bond.value order: SING

1,1,bmse000600
type: chem comp citation
of datablock: info:bmrb.metabolomics/bmse000600
chem comp citation.citation id: 1
chem comp citation.comp id: 1
chem comp citation.entry id: bmse000600
chem comp citation.citation label: citation_1

1,bmse000600,Vitamin E,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: Vitamin E
chem comp common name.type: abbreviation

1,bmse000600,Tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: Tocopherol
chem comp common name.type: abbreviation

1,bmse000600,alpha-Tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: alpha-Tocopherol
chem comp common name.type: abbreviation

1,bmse000600,(2R)-2,5,7,8-TETRAMETHYL-2-((4R,8R)-4,8,12-TRIMETHYLTRIDECYL)CHROMAN-6-OL,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL
chem comp common name.type: abbreviation

1,bmse000600,(2R,4'R,8'R)-Alpha-tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: (2R,4'R,8'R)-Alpha-tocopherol
chem comp common name.type: abbreviation

1,bmse000600,Tocopherol (R,S),abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: Tocopherol (R,S)
chem comp common name.type: abbreviation

1,bmse000600,2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
chem comp common name.type: abbreviation

1,bmse000600,Vitamin-E,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: Vitamin-E
chem comp common name.type: abbreviation

1,bmse000600,(2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
chem comp common name.type: abbreviation

1,bmse000600,d-alpha-tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: d-alpha-tocopherol
chem comp common name.type: abbreviation

1,bmse000600,(.)-alpha-tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: (+)-alpha-tocopherol
chem comp common name.type: abbreviation

1,bmse000600,(R,R,R)-alpha-tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: (R,R,R)-alpha-tocopherol
chem comp common name.type: abbreviation

1,bmse000600,2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: 2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol
chem comp common name.type: abbreviation

1,bmse000600,5,7,8-trimethyltocol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: 5,7,8-trimethyltocol
chem comp common name.type: abbreviation

1,bmse000600,(2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
chem comp common name.type: abbreviation

1,bmse000600,5,7,8-Trimethyltocol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: 5,7,8-Trimethyltocol
chem comp common name.type: abbreviation

1,bmse000600,(2R,4'R,8'R)-alpha-tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: (2R,4'R,8'R)-alpha-tocopherol
chem comp common name.type: abbreviation

1,bmse000600,()-alpha-Tocopherol,abbreviation
type: chem comp common name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp common name.comp id: 1
chem comp common name.entry id: bmse000600
chem comp common name.name: ()-alpha-Tocopherol
chem comp common name.type: abbreviation

85165371,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 85165371
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/85165371

urn:miriam:pubchem.substance:85165371

14985,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 14985
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: cid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.compound/14985

urn:miriam:pubchem.compound:14985

46506524,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 46506524
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/46506524

urn:miriam:pubchem.substance:46506524

4266326,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 4266326
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/4266326

urn:miriam:pubchem.substance:4266326

5492,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 5492
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/5492

urn:miriam:pubchem.substance:5492

48416736,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 48416736
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/48416736

urn:miriam:pubchem.substance:48416736

10321615,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 10321615
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/10321615

urn:miriam:pubchem.substance:10321615

24899979,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 24899979
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/24899979

urn:miriam:pubchem.substance:24899979

12216799,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 12216799
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/12216799

urn:miriam:pubchem.substance:12216799

11533108,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 11533108
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/11533108

urn:miriam:pubchem.substance:11533108

828694,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 828694
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/828694

urn:miriam:pubchem.substance:828694

47736751,1,PubChem,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 47736751
chem comp db link.comp id: 1
chem comp db link.database code: PubChem
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: sid
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

info:pubchem.substance/47736751

urn:miriam:pubchem.substance:47736751

59-02-9,1,CAS Registry,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 59-02-9
chem comp db link.comp id: 1
chem comp db link.database code: CAS Registry
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: registry number
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

10191-41-0,1,CAS Registry,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 10191-41-0
chem comp db link.comp id: 1
chem comp db link.database code: CAS Registry
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: registry number
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

T1539 SIGMA,1,Sigma-Aldrich,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: T1539_SIGMA
chem comp db link.comp id: 1
chem comp db link.database code: Sigma-Aldrich
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

BPBio1 000362,1,ChemBank,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: BPBio1_000362
chem comp db link.comp id: 1
chem comp db link.database code: ChemBank
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

CHEBI:18145,1,ChEBI,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: CHEBI:18145
chem comp db link.comp id: 1
chem comp db link.database code: ChEBI
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

26032.4,1,MMDB,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 26032.4
chem comp db link.comp id: 1
chem comp db link.database code: MMDB
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

26340,1,EPA DSSTox,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: 26340
chem comp db link.comp id: 1
chem comp db link.database code: EPA DSSTox
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

LMPR02020001,1,LipidMAPS,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: LMPR02020001
chem comp db link.comp id: 1
chem comp db link.database code: LipidMAPS
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

ZINC04095858,1,ZINC,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: ZINC04095858
chem comp db link.comp id: 1
chem comp db link.database code: ZINC
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

Prestwick 653,1,PDSP,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: Prestwick_653
chem comp db link.comp id: 1
chem comp db link.database code: PDSP
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

DB00163,1,DrugBank,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: DB00163
chem comp db link.comp id: 1
chem comp db link.database code: DrugBank
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

C02477,1,KEGG,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: C02477
chem comp db link.comp id: 1
chem comp db link.database code: KEGG
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: compound ID
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

cq 01526,1,MMCD,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: cq_01526
chem comp db link.comp id: 1
chem comp db link.database code: MMCD
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: yes
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

MFCD00072045,1,MDL,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: MFCD00072045
chem comp db link.comp id: 1
chem comp db link.database code: MDL
chem comp db link.entry id: bmse000600
chem comp db link.author supplied: yes
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

VIT,1,PDB,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: VIT
chem comp db link.comp id: 1
chem comp db link.database code: PDB
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: Chemical Component
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

VIV,1,PDB,bmse000600
type: chem comp db link
of datablock: info:bmrb.metabolomics/bmse000600
chem comp db link.accession code: VIV
chem comp db link.comp id: 1
chem comp db link.database code: PDB
chem comp db link.entry id: bmse000600
chem comp db link.accession code type: Chemical Component
chem comp db link.author supplied: no
chem comp db link.entry mol name: (+)alpha-tocopherol
chem comp db link.entry relation type: matching entry

s1,bmse000600,na,na,INCHI
type: chem comp descriptor
of datablock: info:bmrb.metabolomics/bmse000600
chem comp descriptor.comp id: 1
chem comp descriptor.descriptor: InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
chem comp descriptor.entry id: bmse000600
chem comp descriptor.program: na
chem comp descriptor.program version: na
chem comp descriptor.type: INCHI

s1,bmse000600,na,3.003,INCHI
type: chem comp descriptor
of datablock: info:bmrb.metabolomics/bmse000600
chem comp descriptor.comp id: 1
chem comp descriptor.descriptor: InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
chem comp descriptor.entry id: bmse000600
chem comp descriptor.program: na
chem comp descriptor.program version: 3.003
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmse000600/chem_comp_smiles/1,bmse000600,CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O,canonical
type: chem comp smiles
of datablock: info:bmrb.metabolomics/bmse000600
chem comp smiles.comp id: 1
chem comp smiles.entry id: bmse000600
chem comp smiles.string: CC1=C(C(=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O
chem comp smiles.type: canonical

https://bmrbpub.pdbj.org/rdf/bmse000600/chem_comp_smiles/1,bmse000600,CC1=C(C(=C2CC(Caa)(OC2=C1C)(C)CCC(CaH)(C)CCC(CaH)(C)CCCC(C)C)C)O,isomeric
type: chem comp smiles
of datablock: info:bmrb.metabolomics/bmse000600
chem comp smiles.comp id: 1
chem comp smiles.entry id: bmse000600
chem comp smiles.string: CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O
chem comp smiles.type: isomeric

1,bmse000600,IUPAC
type: chem comp systematic name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp systematic name.comp id: 1
chem comp systematic name.entry id: bmse000600
chem comp systematic name.naming system: IUPAC
chem comp systematic name.name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol

1,bmse000600,CAS name
type: chem comp systematic name
of datablock: info:bmrb.metabolomics/bmse000600
chem comp systematic name.comp id: 1
chem comp systematic name.entry id: bmse000600
chem comp systematic name.naming system: CAS name
chem comp systematic name.name: (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol

1,bmse000600,1
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,2
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,3
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,4
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,5
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,6
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,7
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,8
type: chem shift experiment
of datablock: info:bmrb.metabolomics/bmse000600
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: bmse000600
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,bmse000600,TMS
type: chem shift ref
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
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,bmse000600,TMS
type: chem shift ref
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
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: 0.2514502
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref type: indirect

bmse000600,1
type: chem shift reference
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
chem shift reference.entry id: bmse000600
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chem_shift_reference

1,bmse000600,1
type: chem shift software
of datablock: info:bmrb.metabolomics/bmse000600
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: bmse000600
chem shift software.software id: 1
chem shift software.method id: 0
chem shift software.software label: software_3

bmse000600,1
type: citation
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
citation.entry id: bmse000600
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,bmse000600,1
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,2
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,3
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,4
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,5
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,6
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,7
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,8
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,9
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,10
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,11
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,12
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,13
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,14
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,15
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,16
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,17
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,18
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,19
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,20
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,21
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,22
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,23
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,24
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,25
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,26
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,27
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,28
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,29
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,30
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,31
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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,bmse000600,32
type: citation author
of datablock: info:bmrb.metabolomics/bmse000600
citation author.citation id: 1
citation author.entry id: bmse000600
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.

bmse000600,assigned chemical shifts
type: data set
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
data set.entry id: bmse000600
data set.type: assigned_chemical_shifts
data set.count: 1

bmse000600,13C chemical shifts
type: datum
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
datum.entry id: bmse000600
datum.type: 13C chemical shifts
datum.count: 207

bmse000600,1H chemical shifts
type: datum
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
datum.entry id: bmse000600
datum.type: 1H chemical shifts
datum.count: 205

bmse000600,1
type: entity
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entity.entry id: bmse000600
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.name: (+)alpha-tocopherol
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: (+)alpha-tocopherol
entity.thiol state: not reported
entity.type: non-polymer

1,bmse000600,1
type: entity assembly
of datablock: info:bmrb.metabolomics/bmse000600
entity assembly.assembly id: 1
entity assembly.entry id: bmse000600
entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: (+)alpha-tocopherol
entity assembly.entity id: 1
entity assembly.entity label: (+)alpha-tocopherol
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,bmse000600,1
type: entity comp index
of datablock: info:bmrb.metabolomics/bmse000600
entity comp index.entity id: 1
entity comp index.entry id: bmse000600
entity comp index.id: 1
entity comp index.comp id: 1
entity comp index.comp label: chem_comp_1

1,bmse000600,1
type: entity experimental src
of datablock: info:bmrb.metabolomics/bmse000600
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: bmse000600
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: (+)alpha-tocopherol
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

bmse000600,1
type: entity experimental src list
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entity experimental src list.entry id: bmse000600
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,bmse000600,1
type: entity natural src
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entity natural src.entity natural src list id: 1
entity natural src.entry id: bmse000600
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: (+)alpha-tocopherol
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

bmse000600,1
type: entity natural src list
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entity natural src list.entry id: bmse000600
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/BMSE000600

urn:miriam:doi:10.13018/BMSE000600

bmse000600,1
type: entry author
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entry author.entry id: bmse000600
entry author.ordinal: 1
entry author.family name: Jofre
entry author.given name: Francisca
entry author.pdbx name: Jofre, F.

bmse000600,2
type: entry author
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entry author.entry id: bmse000600
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.

bmse000600,3
type: entry author
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entry author.entry id: bmse000600
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.

bmse000600,1
type: entry src
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
entry src.entry id: bmse000600
entry src.id: 1
entry src.organization full name: Madison Metabolomics Consortium
entry src.organization initials: MMC
entry src.project name: metabolomics

bmse000600,1,1
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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

bmse000600,1,2
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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

bmse000600,1,3
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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

bmse000600,1,4
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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

bmse000600,1,5
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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

bmse000600,1,6
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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

bmse000600,1,7
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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

bmse000600,1,8
type: experiment
of datablock: info:bmrb.metabolomics/bmse000600
experiment.entry id: bmse000600
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/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

1,1H.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

2,HH TOCSY
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

2,HH TOCSY.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

3,13C
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

3,13C.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

4,DEPT 90
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

4,DEPT 90.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

5,DEPT 135
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

5,DEPT 135.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

6,1H 13C HSQC
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

6,1H 13C HSQC.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

7,1H 13C HMBC
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

7,1H 13C HMBC.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

8,HH COSY
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: text/directory

8,HH COSY.png
type: experiment file
of datablock: info:bmrb.metabolomics/bmse000600
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: bmse000600
experiment file.experiment list id: 1
experiment file.type: image/png

bmse000600,1
type: experiment list
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
experiment list.entry id: bmse000600
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

bmse000600,1
type: nmr spectrometer
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
nmr spectrometer.entry id: bmse000600
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

bmse000600,1
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 1
release.author: BMRB
release.date: 2009-03-15Z
release.detail: Original spectra from MMC
release.submission date: 2009-03-15Z
release.type: original

bmse000600,2
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 2
release.author: Author
release.date: 2009-06-08Z
release.detail: Fixing Assembly and Entity saveframe
release.submission date: 2009-03-15Z
release.type: update

bmse000600,3
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 3
release.author: BMRB
release.date: 2009-06-15Z
release.detail: Corrected indirect ratio for TMS
release.submission date: 2009-03-15Z
release.type: update

bmse000600,4
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 4
release.author: BMRB
release.date: 2009-07-19Z
release.detail: Updated the InChI string to match PubChem
release.submission date: 2009-03-15Z
release.type: update

bmse000600,5
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 5
release.author: Author
release.date: 2010-02-11Z
release.detail: updated data because of new referencing
release.submission date: 2009-03-15Z
release.type: update

bmse000600,6
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 6
release.author: BMRB
release.date: 2010-10-07Z
release.detail: Removed empty loops for database compliance
release.submission date: 2009-03-15Z
release.type: update

bmse000600,7
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 7
release.author: BMRB
release.date: 2010-11-14Z
release.detail: Updated chem comp Paramagnetic and Aromatic
release.submission date: 2009-03-15Z
release.type: update

bmse000600,8
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 8
release.author: BMRB
release.date: 2010-11-29Z
release.detail: Added 2 PDB IDs to Chem_comp_db_link
release.submission date: 2009-03-15Z
release.type: update

bmse000600,9
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 9
release.author: BMRB
release.date: 2011-04-03Z
release.detail: Added Provenance tag to chem_comp
release.submission date: 2009-03-15Z
release.type: update

bmse000600,10
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 10
release.author: BMRB
release.date: 2011-09-08Z
release.detail: Brought up to date with latest Dictionary
release.submission date: 2009-03-15Z
release.type: update

bmse000600,11
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 11
release.author: BMRB
release.date: 2011-09-19Z
release.detail: Standardized Experiment_file data paths
release.submission date: 2009-03-15Z
release.type: update

bmse000600,12
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 12
release.author: BMRB
release.date: 2011-10-13Z
release.detail: Fixed erroneous data paths
release.submission date: 2009-03-15Z
release.type: update

bmse000600,13
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 13
release.author: BMRB
release.date: 2011-12-13Z
release.detail: Set Assembly.Name to match Chem_comp.name
release.submission date: 2009-03-15Z
release.type: update

bmse000600,14
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 14
release.author: BMRB
release.date: 2012-04-24Z
release.detail: Updating transitions; fixed peak description
release.submission date: 2009-03-15Z
release.type: update

bmse000600,15
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 15
release.author: BMRB
release.date: 2012-06-05Z
release.detail: removed existing spectral peaks
release.submission date: 2009-03-15Z
release.type: update

bmse000600,16
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 16
release.author: BMRB
release.date: 2012-06-05Z
release.detail: Updating transitions; fixed peak description
release.submission date: 2009-03-15Z
release.type: update

bmse000600,17
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 17
release.author: BMRB
release.date: 2012-06-18Z
release.detail: removed existing assignments, existing spectral peaks
release.submission date: 2009-03-15Z
release.type: update

bmse000600,18
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 18
release.author: BMRB
release.date: 2012-06-18Z
release.detail: Updating transitions; fixed peak description
release.submission date: 2009-03-15Z
release.type: update

bmse000600,19
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 19
release.author: BMRB
release.date: 2012-06-28Z
release.detail: removed existing assignments, existing spectral peaks
release.submission date: 2009-03-15Z
release.type: update

bmse000600,20
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 20
release.author: BMRB
release.date: 2012-06-28Z
release.detail: Updating transitions; with new corrected input file
release.submission date: 2009-03-15Z
release.type: update

bmse000600,21
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 21
release.author: BMRB
release.date: 2012-07-23Z
release.detail: Fixed potential erros in assigned chemical shifts
release.submission date: 2009-03-15Z
release.type: update

bmse000600,22
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 22
release.author: BMRB
release.date: 2012-09-12Z
release.detail: Added PubChem SID 85165371 to database loop
release.submission date: 2009-03-15Z
release.type: update

bmse000600,23
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 23
release.author: BMRB
release.date: 2012-10-16Z
release.detail: Set all _Chem_comp_SMILES Types to lower case
release.submission date: 2009-03-15Z
release.type: update

bmse000600,24
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 24
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

bmse000600,25
type: release
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
release.entry id: bmse000600
release.release number: 25
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

bmse000600,1
type: sample
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
sample.entry id: bmse000600
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

bmse000600,1,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000600
sample component.entry id: bmse000600
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: (+)alpha-tocopherol
sample component.isotopic labeling: natural abundance
sample component.mol common name: (+)alpha-tocopherol
sample component.type: Solute
sample component.vendor: Sigma
sample component.vendor product code: n/a
sample component.vendor product name: (+)alpha-tocopherol

bmse000600,2,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000600
sample component.entry id: bmse000600
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

bmse000600,3,1
type: sample component
of datablock: info:bmrb.metabolomics/bmse000600
sample component.entry id: bmse000600
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

bmse000600,1
type: sample condition list
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
sample condition list.entry id: bmse000600
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

bmse000600,1,pH
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000600
sample condition variable.entry id: bmse000600
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

bmse000600,1,temperature
type: sample condition variable
of datablock: info:bmrb.metabolomics/bmse000600
sample condition variable.entry id: bmse000600
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

bmse000600,1
type: software
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
software.entry id: bmse000600
software.id: 1
software.name: NMRPipe
software.sf category: software
software.sf framecode: software_1

bmse000600,2
type: software
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
software.entry id: bmse000600
software.id: 2
software.name: XWIN-NMR
software.sf category: software
software.sf framecode: software_2
software.version: 3.5

bmse000600,3
type: software
of datablock: info:bmrb.metabolomics/bmse000600
reference to entry: bmse000600
software.entry id: bmse000600
software.id: 3
software.name: TopSpin
software.sf category: software
software.sf framecode: software_3
software.version: 2.1

H,bmse000600,1,1,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000600
spectral dim.atom type: H
spectral dim.entry id: bmse000600
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,bmse000600,2,2,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000600
spectral dim.atom type: C
spectral dim.entry id: bmse000600
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,bmse000600,3,3,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000600
spectral dim.atom type: C
spectral dim.entry id: bmse000600
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,bmse000600,4,4,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000600
spectral dim.atom type: C
spectral dim.entry id: bmse000600
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,bmse000600,5,5,Full H
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000600
spectral dim.atom type: H
spectral dim.entry id: bmse000600
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: 6009.615

C,bmse000600,6,5,Full C
type: spectral dim
of datablock: info:bmrb.metabolomics/bmse000600
spectral dim.atom type: C
spectral dim.entry id: bmse000600
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

bmse000600,1,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 1
spectral transition.spectral peak list id: 1

bmse000600,2,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 2
spectral transition.spectral peak list id: 1

bmse000600,3,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 3
spectral transition.spectral peak list id: 1

bmse000600,4,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 4
spectral transition.spectral peak list id: 1

bmse000600,5,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 5
spectral transition.spectral peak list id: 1

bmse000600,6,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 6
spectral transition.spectral peak list id: 1

bmse000600,7,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 7
spectral transition.spectral peak list id: 1

bmse000600,8,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 8
spectral transition.spectral peak list id: 1

bmse000600,9,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 9
spectral transition.spectral peak list id: 1

bmse000600,10,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 10
spectral transition.spectral peak list id: 1

bmse000600,11,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 11
spectral transition.spectral peak list id: 1

bmse000600,12,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 12
spectral transition.spectral peak list id: 1

bmse000600,13,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 13
spectral transition.spectral peak list id: 1

bmse000600,14,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 14
spectral transition.spectral peak list id: 1

bmse000600,15,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 15
spectral transition.spectral peak list id: 1

bmse000600,16,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 16
spectral transition.spectral peak list id: 1

bmse000600,17,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 17
spectral transition.spectral peak list id: 1

bmse000600,18,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 18
spectral transition.spectral peak list id: 1

bmse000600,19,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 19
spectral transition.spectral peak list id: 1

bmse000600,20,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 20
spectral transition.spectral peak list id: 1

bmse000600,21,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 21
spectral transition.spectral peak list id: 1

bmse000600,22,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 22
spectral transition.spectral peak list id: 1

bmse000600,23,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 23
spectral transition.spectral peak list id: 1

bmse000600,24,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 24
spectral transition.spectral peak list id: 1

bmse000600,25,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 25
spectral transition.spectral peak list id: 1

bmse000600,26,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 26
spectral transition.spectral peak list id: 1

bmse000600,27,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 27
spectral transition.spectral peak list id: 1

bmse000600,28,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 28
spectral transition.spectral peak list id: 1

bmse000600,29,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 29
spectral transition.spectral peak list id: 1

bmse000600,30,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 30
spectral transition.spectral peak list id: 1

bmse000600,31,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 31
spectral transition.spectral peak list id: 1

bmse000600,32,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 32
spectral transition.spectral peak list id: 1

bmse000600,33,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 33
spectral transition.spectral peak list id: 1

bmse000600,34,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 34
spectral transition.spectral peak list id: 1

bmse000600,35,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 35
spectral transition.spectral peak list id: 1

bmse000600,36,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 36
spectral transition.spectral peak list id: 1

bmse000600,37,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 37
spectral transition.spectral peak list id: 1

bmse000600,38,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 38
spectral transition.spectral peak list id: 1

bmse000600,39,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 39
spectral transition.spectral peak list id: 1

bmse000600,40,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 40
spectral transition.spectral peak list id: 1

bmse000600,41,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 41
spectral transition.spectral peak list id: 1

bmse000600,42,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 42
spectral transition.spectral peak list id: 1

bmse000600,43,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 43
spectral transition.spectral peak list id: 1

bmse000600,44,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 44
spectral transition.spectral peak list id: 1

bmse000600,45,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 45
spectral transition.spectral peak list id: 1

bmse000600,46,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 46
spectral transition.spectral peak list id: 1

bmse000600,47,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 47
spectral transition.spectral peak list id: 1

bmse000600,48,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 48
spectral transition.spectral peak list id: 1

bmse000600,49,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 49
spectral transition.spectral peak list id: 1

bmse000600,50,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 50
spectral transition.spectral peak list id: 1

bmse000600,51,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 51
spectral transition.spectral peak list id: 1

bmse000600,52,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 52
spectral transition.spectral peak list id: 1

bmse000600,53,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 53
spectral transition.spectral peak list id: 1

bmse000600,54,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 54
spectral transition.spectral peak list id: 1

bmse000600,55,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 55
spectral transition.spectral peak list id: 1

bmse000600,56,1
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 56
spectral transition.spectral peak list id: 1

bmse000600,57,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 57
spectral transition.spectral peak list id: 2

bmse000600,58,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 58
spectral transition.spectral peak list id: 2

bmse000600,59,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 59
spectral transition.spectral peak list id: 2

bmse000600,60,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 60
spectral transition.spectral peak list id: 2

bmse000600,61,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 61
spectral transition.spectral peak list id: 2

bmse000600,62,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 62
spectral transition.spectral peak list id: 2

bmse000600,63,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 63
spectral transition.spectral peak list id: 2

bmse000600,64,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 64
spectral transition.spectral peak list id: 2

bmse000600,65,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 65
spectral transition.spectral peak list id: 2

bmse000600,66,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 66
spectral transition.spectral peak list id: 2

bmse000600,67,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 67
spectral transition.spectral peak list id: 2

bmse000600,68,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 68
spectral transition.spectral peak list id: 2

bmse000600,69,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 69
spectral transition.spectral peak list id: 2

bmse000600,70,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 70
spectral transition.spectral peak list id: 2

bmse000600,71,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 71
spectral transition.spectral peak list id: 2

bmse000600,72,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 72
spectral transition.spectral peak list id: 2

bmse000600,73,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 73
spectral transition.spectral peak list id: 2

bmse000600,74,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 74
spectral transition.spectral peak list id: 2

bmse000600,75,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 75
spectral transition.spectral peak list id: 2

bmse000600,76,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 76
spectral transition.spectral peak list id: 2

bmse000600,77,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 77
spectral transition.spectral peak list id: 2

bmse000600,78,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 78
spectral transition.spectral peak list id: 2

bmse000600,79,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 79
spectral transition.spectral peak list id: 2

bmse000600,80,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 80
spectral transition.spectral peak list id: 2

bmse000600,81,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 81
spectral transition.spectral peak list id: 2

bmse000600,82,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 82
spectral transition.spectral peak list id: 2

bmse000600,83,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 83
spectral transition.spectral peak list id: 2

bmse000600,84,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 84
spectral transition.spectral peak list id: 2

bmse000600,85,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 85
spectral transition.spectral peak list id: 2

bmse000600,86,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 86
spectral transition.spectral peak list id: 2

bmse000600,87,2
type: spectral transition
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition.entry id: bmse000600
spectral transition.id: 87
spectral transition.spectral peak list id: 2

bmse000600,1,1,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 2.6132

bmse000600,1,1,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 2.5997

bmse000600,1,1,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 2.5861

bmse000600,1,1,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 2.1566

bmse000600,1,1,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 2.1084

bmse000600,1,1,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.8395

bmse000600,1,1,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.8253

bmse000600,1,1,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.8121

bmse000600,1,1,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.7983

bmse000600,1,1,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.7839

bmse000600,1,1,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.7779

bmse000600,1,1,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.7645

bmse000600,1,1,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.7510

bmse000600,1,1,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.7375

bmse000600,1,1,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.7242

bmse000600,1,1,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.5847

bmse000600,1,1,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.5753

bmse000600,1,1,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.5607

bmse000600,1,1,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.5487

bmse000600,1,1,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.5344

bmse000600,1,1,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.5214

bmse000600,1,1,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.5078

bmse000600,1,1,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.4945

bmse000600,1,1,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.4895

bmse000600,1,1,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.4808

bmse000600,1,1,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.3979

bmse000600,1,1,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.3859

bmse000600,1,1,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.3735

bmse000600,1,1,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.3574

bmse000600,1,1,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.2910

bmse000600,1,1,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.2782

bmse000600,1,1,32
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.2713

bmse000600,1,1,33
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.2535

bmse000600,1,1,34
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.2426

bmse000600,1,1,35
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.2255

bmse000600,1,1,36
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.2071

bmse000600,1,1,37
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1530

bmse000600,1,1,38
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1392

bmse000600,1,1,39
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1335

bmse000600,1,1,40
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1259

bmse000600,1,1,41
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1211

bmse000600,1,1,42
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1135

bmse000600,1,1,43
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1080

bmse000600,1,1,44
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.1033

bmse000600,1,1,45
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.0866

bmse000600,1,1,46
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.0759

bmse000600,1,1,47
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.0706

bmse000600,1,1,48
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.0658

bmse000600,1,1,49
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.0616

bmse000600,1,1,50
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.0554

bmse000600,1,1,51
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 1.0509

bmse000600,1,1,52
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 0.8715

bmse000600,1,1,53
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 0.8579

bmse000600,1,1,54
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 0.8463

bmse000600,1,1,55
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 0.8418

bmse000600,1,1,56
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 0.8332

bmse000600,1,2,1
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 148.1921

bmse000600,1,2,2
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 147.1730

bmse000600,1,2,3
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 125.2672

bmse000600,1,2,4
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 123.6509

bmse000600,1,2,5
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 121.1125

bmse000600,1,2,6
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 120.0066

bmse000600,1,2,7
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 77.1778

bmse000600,1,2,8
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 42.5183

bmse000600,1,2,9
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 42.4445

bmse000600,1,2,10
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 42.0270

bmse000600,1,2,11
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 40.2179

bmse000600,1,2,12
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 40.1039

bmse000600,1,2,13
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 40.0483

bmse000600,1,2,14
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 39.9445

bmse000600,1,2,15
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 35.4415

bmse000600,1,2,16
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 35.3569

bmse000600,1,2,17
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 34.1881

bmse000600,1,2,18
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 34.1365

bmse000600,1,2,19
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 30.6393

bmse000600,1,2,20
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 27.4722

bmse000600,1,2,21
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 27.1042

bmse000600,1,2,22
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 26.4478

bmse000600,1,2,23
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 25.3864

bmse000600,1,2,24
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 25.2924

bmse000600,1,2,25
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 23.7165

bmse000600,1,2,26
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 23.4172

bmse000600,1,2,27
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 22.4034

bmse000600,1,2,28
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
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: 22.3422

bmse000600,1,2,29
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 29
spectral transition char.chem shift val: 14.8706

bmse000600,1,2,30
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 30
spectral transition char.chem shift val: 14.4370

bmse000600,1,2,31
type: spectral transition char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition char.entry id: bmse000600
spectral transition char.spectral dim id: 1
spectral transition char.spectral peak list id: 2
spectral transition char.spectral transition id: 31
spectral transition char.chem shift val: 13.9389

bmse000600,1.06,1,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.06
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000600,2.16,1,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.16
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000600,1.18,1,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.18
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000600,6.73,1,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 6.73
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000600,15.00,1,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 15.00
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000600,0.23,1,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.23
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000600,0.46,1,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.46
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000600,0.73,1,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.73
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000600,1.10,1,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.10
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000600,0.62,1,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.62
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000600,0.68,1,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.68
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000600,1.25,1,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.25
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000600,0.87,1,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.87
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000600,0.59,1,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.59
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000600,0.28,1,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.28
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000600,0.44,1,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.44
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000600,0.49,1,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.49
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000600,0.61,1,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.61
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000600,0.78,1,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.78
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000600,1.21,1,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.21
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000600,1.20,1,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.20
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000600,1.17,1,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.17
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000600,0.65,1,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.65
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000600,0.54,1,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.54
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000600,0.81,1,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.81
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse000600,1.06,1,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.06
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse000600,1.25,1,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.25
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse000600,1.38,1,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.38
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse000600,1.12,1,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.12
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 29
spectral transition general char.measurement method: height

bmse000600,1.20,1,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.20
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 30
spectral transition general char.measurement method: height

bmse000600,1.95,1,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.95
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 31
spectral transition general char.measurement method: height

bmse000600,1.90,1,32
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.90
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 32
spectral transition general char.measurement method: height

bmse000600,2.68,1,33
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.68
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 33
spectral transition general char.measurement method: height

bmse000600,3.54,1,34
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 3.54
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 34
spectral transition general char.measurement method: height

bmse000600,11.45,1,35
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 11.45
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 35
spectral transition general char.measurement method: height

bmse000600,1.24,1,36
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.24
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 36
spectral transition general char.measurement method: height

bmse000600,1.09,1,37
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.09
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 37
spectral transition general char.measurement method: height

bmse000600,1.64,1,38
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.64
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 38
spectral transition general char.measurement method: height

bmse000600,1.41,1,39
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.41
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 39
spectral transition general char.measurement method: height

bmse000600,1.47,1,40
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.47
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 40
spectral transition general char.measurement method: height

bmse000600,1.38,1,41
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.38
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 41
spectral transition general char.measurement method: height

bmse000600,1.08,1,42
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.08
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 42
spectral transition general char.measurement method: height

bmse000600,1.11,1,43
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.11
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 43
spectral transition general char.measurement method: height

bmse000600,0.86,1,44
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 0.86
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 44
spectral transition general char.measurement method: height

bmse000600,1.25,1,45
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.25
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 45
spectral transition general char.measurement method: height

bmse000600,1.60,1,46
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.60
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 46
spectral transition general char.measurement method: height

bmse000600,1.74,1,47
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.74
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 47
spectral transition general char.measurement method: height

bmse000600,1.69,1,48
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.69
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 48
spectral transition general char.measurement method: height

bmse000600,1.59,1,49
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.59
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 49
spectral transition general char.measurement method: height

bmse000600,1.48,1,50
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.48
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 50
spectral transition general char.measurement method: height

bmse000600,1.38,1,51
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.38
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 51
spectral transition general char.measurement method: height

bmse000600,11.37,1,52
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 11.37
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 52
spectral transition general char.measurement method: height

bmse000600,12.89,1,53
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 12.89
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 53
spectral transition general char.measurement method: height

bmse000600,7.89,1,54
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 7.89
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 54
spectral transition general char.measurement method: height

bmse000600,6.39,1,55
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 6.39
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 55
spectral transition general char.measurement method: height

bmse000600,6.47,1,56
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 6.47
spectral transition general char.spectral peak list id: 1
spectral transition general char.spectral transition id: 56
spectral transition general char.measurement method: height

bmse000600,2.04,2,1
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.04
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 1
spectral transition general char.measurement method: height

bmse000600,2.01,2,2
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.01
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 2
spectral transition general char.measurement method: height

bmse000600,1.82,2,3
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.82
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 3
spectral transition general char.measurement method: height

bmse000600,2.35,2,4
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.35
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 4
spectral transition general char.measurement method: height

bmse000600,2.49,2,5
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.49
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 5
spectral transition general char.measurement method: height

bmse000600,1.92,2,6
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 1.92
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 6
spectral transition general char.measurement method: height

bmse000600,3.15,2,7
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 3.15
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 7
spectral transition general char.measurement method: height

bmse000600,3.06,2,8
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 3.06
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 8
spectral transition general char.measurement method: height

bmse000600,3.03,2,9
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 3.03
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 9
spectral transition general char.measurement method: height

bmse000600,6.17,2,10
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 6.17
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 10
spectral transition general char.measurement method: height

bmse000600,3.33,2,11
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 3.33
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 11
spectral transition general char.measurement method: height

bmse000600,7.65,2,12
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 7.65
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 12
spectral transition general char.measurement method: height

bmse000600,10.22,2,13
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 10.22
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 13
spectral transition general char.measurement method: height

bmse000600,4.88,2,14
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 4.88
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 14
spectral transition general char.measurement method: height

bmse000600,6.21,2,15
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 6.21
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 15
spectral transition general char.measurement method: height

bmse000600,5.79,2,16
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 5.79
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 16
spectral transition general char.measurement method: height

bmse000600,3.26,2,17
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 3.26
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 17
spectral transition general char.measurement method: height

bmse000600,3.38,2,18
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 3.38
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 18
spectral transition general char.measurement method: height

bmse000600,4.59,2,19
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 4.59
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 19
spectral transition general char.measurement method: height

bmse000600,5.83,2,20
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 5.83
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 20
spectral transition general char.measurement method: height

bmse000600,6.36,2,21
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 6.36
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 21
spectral transition general char.measurement method: height

bmse000600,5.33,2,22
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 5.33
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 22
spectral transition general char.measurement method: height

bmse000600,5.92,2,23
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 5.92
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 23
spectral transition general char.measurement method: height

bmse000600,6.00,2,24
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 6.00
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 24
spectral transition general char.measurement method: height

bmse000600,5.04,2,25
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 5.04
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 25
spectral transition general char.measurement method: height

bmse000600,5.08,2,26
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 5.08
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 26
spectral transition general char.measurement method: height

bmse000600,4.19,2,27
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 4.19
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 27
spectral transition general char.measurement method: height

bmse000600,5.97,2,28
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 5.97
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 28
spectral transition general char.measurement method: height

bmse000600,2.49,2,29
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.49
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 29
spectral transition general char.measurement method: height

bmse000600,2.61,2,30
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.61
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 30
spectral transition general char.measurement method: height

bmse000600,2.52,2,31
type: spectral transition general char
of datablock: info:bmrb.metabolomics/bmse000600
spectral transition general char.entry id: bmse000600
spectral transition general char.intensity val: 2.52
spectral transition general char.spectral peak list id: 2
spectral transition general char.spectral transition id: 31
spectral transition general char.measurement method: height

bmse000600,1,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 1
task.task: Processing

bmse000600,2,Collection
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 2
task.task: Collection

bmse000600,2,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 2
task.task: Processing

bmse000600,2,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 2
task.task: Data analysis

bmse000600,2,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 2
task.task: Peak picking

bmse000600,3,Collection
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 3
task.task: Collection

bmse000600,3,Processing
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 3
task.task: Processing

bmse000600,3,Data analysis
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 3
task.task: Data analysis

bmse000600,3,Peak picking
type: task
of datablock: info:bmrb.metabolomics/bmse000600
task.entry id: bmse000600
task.software id: 3
task.task: Peak picking

bmse000600,F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax,1
type: vendor
of datablock: info:bmrb.metabolomics/bmse000600
vendor.entry id: bmse000600
vendor.name: F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax
vendor.software id: 1

bmse000600,Bruker Biospin,2
type: vendor
of datablock: info:bmrb.metabolomics/bmse000600
vendor.entry id: bmse000600
vendor.name: Bruker Biospin
vendor.software id: 2

bmse000600,Bruker Biospin,3
type: vendor
of datablock: info:bmrb.metabolomics/bmse000600
vendor.entry id: bmse000600
vendor.name: Bruker Biospin
vendor.software id: 3