BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

ILE MD Chemical Shift Outliers

Average chemical shift: 0.672
Standard deviation: 0.331

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
66475HD111.941
66475HD121.941
66475HD131.941
92380HD112.021
92380HD122.021
92380HD132.021
117175HD112.041
117175HD122.041
117175HD132.041
171980HD111.931
171980HD121.931
171980HD131.931
413024HD111.81
413024HD121.81
413024HD131.81
413124HD111.81
413124HD121.81
413124HD131.81
417453HD111.751
417453HD121.751
417453HD131.751
422238HD118.80
422238HD128.80
422238HD138.80
42226HD112.56
42226HD122.56
42226HD132.56
425970HD111.831
425970HD121.831
425970HD131.831
434425HD111.791
434425HD121.791
434425HD131.791
434458HD111.701
434458HD121.701
434458HD131.701
443513HD112.351
443513HD122.351
443513HD132.351
443610HD111.861
443610HD121.861
443610HD131.861
46336HD112.96
46336HD122.96
46336HD132.96
465531HD112.82
465531HD122.82
465531HD132.82
482162HD111.6881
482162HD121.6881
482162HD131.6881
502675HD112.95
502675HD122.95
502675HD132.95
528026HD112.091
528026HD122.091
528026HD132.091
52835HD111.6801
52835HD121.6801
52835HD131.6801
530474HD112.931
530474HD122.931
530474HD132.931
549270HD111.851
549270HD121.851
549270HD131.851
576518HD111.991
576518HD121.991
576518HD131.991
57654HD111.901
57654HD121.901
57654HD131.901
582875HD112.041
582875HD122.041
582875HD132.041
707252HD1113.8911
707252HD1213.8911
707252HD1313.8911
729932HD113.8101
729932HD123.8101
729932HD133.8101
1533264HD111.710
1533264HD121.710
1533264HD131.710
1535564HD111.710
1535564HD121.710
1535564HD131.710
1568911HD114.1041
1568911HD124.1041
1568911HD134.1041
1575311HD111.841
1575311HD121.841
1575311HD131.841
15913114HD111.74001
15913114HD121.74001
15913114HD131.74001
163448HD111.6771
163448HD121.6771
163448HD131.6771
16929189HD111.73301
16929189HD121.73301
16929189HD131.73301
17160164HD111.671
17160164HD121.671
17160164HD131.671
1790380HD111.977
1790380HD121.977
1790380HD131.977
18389165HD111.718
18389165HD121.718
18389165HD131.718
1857880HD111.7411
1857880HD121.7411
1857880HD131.7411
19458136HD116.7484
19458136HD126.7484
19458136HD136.7484
1951813HD111.8731
1951813HD121.8731
1963880HD111.867
1963880HD121.867
1963880HD131.867
254774HD112.1111
254774HD122.1111
254774HD132.1111
2564075HD112.0191
2564075HD122.0191
2564075HD132.0191
2585839HD111.72861
2585839HD121.72861
2585839HD131.72861
2590875HD112.048
2590875HD122.048
2590875HD132.048
2597426HD111.7051
2597426HD121.7051
2597426HD131.7051
2725475HD111.9841
2725475HD121.9841
2725475HD131.9841
27434211HD112.01
27434211HD122.01
27434211HD132.01
27434227HD111.91
27434227HD121.91
27434227HD131.91
30133129HD112.2019
30133129HD122.2019
30133129HD132.2019
3412532HD111.66701
3412532HD121.66701
3412532HD131.66701
3446385HD111.9751
3446385HD121.9751
3446385HD131.9751

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
76106HD11-.4151
76106HD12-.4151
76106HD13-.4151
13390HD11-.831
13390HD12-.831
13390HD13-.831
18233HD11-.761
18233HD12-.761
18233HD13-.761
27457HD11-.361
27457HD12-.361
27457HD13-.361
28765HD11-.351
28765HD12-.351
28765HD13-.351
29299HD11-3.831
29299HD12-3.831
29299HD13-3.831
29474HD11-1.011
29474HD12-1.011
29474HD13-1.011
30881HD11-.961
30881HD12-.961
30881HD13-.961
37620HD11-.431
37620HD12-.431
37620HD13-.431
54557HD11-.431
54557HD12-.431
54557HD13-.431
66557HD11-.361
66557HD12-.361
66557HD13-.361
66657HD11-.341
66657HD12-.341
66657HD13-.341
97551HD11-.381
97551HD12-.381
97551HD13-.381
102799HD11-3.41
102799HD12-3.41
102799HD13-3.41
102899HD11-3.21
102899HD12-3.21
102899HD13-3.21
102999HD11-3.61
102999HD12-3.61
102999HD13-3.61
103099HD11-3.31
103099HD12-3.31
103099HD13-3.31
103199HD11-3.51
103199HD12-3.51
103199HD13-3.51
103299HD11-3.31
103299HD12-3.31
103299HD13-3.31
103399HD11-3.41
103399HD12-3.41
103399HD13-3.41
1061122HD11-.491
1061122HD12-.491
1061122HD13-.491
1062121HD11-.491
1062121HD12-.491
1062121HD13-.491
117057HD11-.621
117057HD12-.621
117057HD13-.621
117157HD11-.371
117157HD12-.371
117157HD13-.371
120399HD11-2.091
120399HD12-2.091
120399HD13-2.091
120499HD11-2.71
120499HD12-2.71
120499HD13-2.71
120774HD11-1.21
120774HD12-1.21
120774HD13-1.21
120874HD11-1.061
120874HD12-1.061
120874HD13-1.061
1230115HD11-.821
1230115HD12-.821
1230115HD13-.821
123061HD11-.431
123061HD12-.431
123061HD13-.431
137920HD11-.441
137920HD12-.441
137920HD13-.441
141399HD11-3.51
141399HD12-3.51
141399HD13-3.51
145599HD11-3.891
145599HD12-3.891
145599HD13-3.891
145799HD11-3.891
145799HD12-3.891
145799HD13-3.891
145999HD11-3.841
145999HD12-3.841
145999HD13-3.841
146199HD11-3.821
146199HD12-3.821
146199HD13-3.821
146399HD11-3.581
146399HD12-3.581
146399HD13-3.581
146599HD11-3.611
146599HD12-3.611
146599HD13-3.611
146799HD11-3.611
146799HD12-3.611
146799HD13-3.611
146999HD11-3.851
146999HD12-3.851
146999HD13-3.851
147199HD11-3.611
147199HD12-3.611
147199HD13-3.611
1566115HD11-.61
1566115HD12-.61
1566115HD13-.61
156661HD11-.51
156661HD12-.51
156661HD13-.51
1567115HD11-.61
1567115HD12-.61
1567115HD13-.61
156761HD11-.51
156761HD12-.51
156761HD13-.51
175195HD11-2.21
175195HD12-2.21
175195HD13-2.21
175299HD11-3.551
175299HD12-3.551
175299HD13-3.551
204939HD11-.8061
204939HD12-.8061
204939HD13-.8061
234599HD11-41
234599HD12-41
234599HD13-41
234699HD11-4.151
234699HD12-4.151
234699HD13-4.151
234799HD11-4.031
234799HD12-4.031
234799HD13-4.031
234899HD11-4.051
234899HD12-4.051
234899HD13-4.051
243199HD11-3.21
243199HD12-3.21
243199HD13-3.21
243299HD11-3.21
243299HD12-3.21
243299HD13-3.21
243399HD11-3.11
243399HD12-3.11
243399HD13-3.11
243499HD11-31
243499HD12-31
243499HD13-31
307835HD11-.511
307835HD12-.511
307835HD13-.511
401123HD11-0.431
401123HD12-0.431
401123HD13-0.431
4027113HD11-0.741
4027113HD12-0.741
4027113HD13-0.741
403550HD11-0.621
403550HD12-0.621
403550HD13-0.621
405033HD11-1.111
405033HD12-1.111
405033HD13-1.111
405133HD11-1.21
405133HD12-1.21
405133HD13-1.21
4081126HD11-0.451
4081126HD12-0.451
4081126HD13-0.451
409524HD11-0.412
409524HD12-0.412
409524HD13-0.412
412780HD11-0.781
412780HD12-0.781
412780HD13-0.781
413076HD11-1
413076HD12-1
413076HD13-1
413176HD11-1
413176HD12-1
413176HD13-1
415083HD11-0.808
415083HD12-0.808
415083HD13-0.808
416115HD11-1.011
416115HD12-1.011
416115HD13-1.011
418957HD11-0.681
418957HD12-0.681
418957HD13-0.681
428243HD11-0.601
428243HD12-0.601
428243HD13-0.601
431361HD11-0.521
431361HD12-0.521
431361HD13-0.521
4330157HD11-0.526
4330157HD12-0.526
4330157HD13-0.526
4336101HD11-0.351
4336101HD12-0.351
4336101HD13-0.351
434266HD11-0.431
434266HD12-0.431
434266HD13-0.431
437381HD11-0.661
437381HD12-0.661
437381HD13-0.661
437751HD11-0.751
437751HD12-0.751
437751HD13-0.751
439563HD11-0.441
439563HD12-0.441
439563HD13-0.441
443510HD11-1.231
443510HD12-1.231
443510HD13-1.231
4448119HD11-0.341
4448119HD12-0.341
4448119HD13-0.341
460275HD11-0.351
460275HD12-0.351
460275HD13-0.351
460276HD11-1.211
460276HD12-1.211
460276HD13-1.211
474337HD11-0.841
474337HD12-0.841
474337HD13-0.841
475881HD11-0.341
475881HD12-0.341
475881HD13-0.341
480374HD11-1.001
480374HD12-1.001
480374HD13-1.001
480474HD11-1.001
480474HD12-1.001
480474HD13-1.001
480874HD11-1.001
480874HD12-1.001
480874HD13-1.001
480974HD11-1.001
480974HD12-1.001
480974HD13-1.001
481850HD11-0.621
481850HD12-0.621
481850HD13-0.621
482912HD11-0.5351
482912HD12-0.5351
482912HD13-0.5351
483384HD11-0.361
483384HD12-0.361
483384HD13-0.361
491930HD11-0.5641
491930HD12-0.5641
491930HD13-0.5641
492816HD11-0.428
492816HD12-0.428
492816HD13-0.428
496451HD11-0.471
496451HD12-0.471
496451HD13-0.471
502657HD11-0.39
502657HD12-0.39
502657HD13-0.39
505834HD11-0.5661
505834HD12-0.5661
505834HD13-0.5661
506451HD11-0.5561
506451HD12-0.5561
506451HD13-0.5561
506585HD11-0.771
506585HD12-0.771
506585HD13-0.771
509176HD11-0.9501
509176HD12-0.9501
509176HD13-0.9501
510543HD11-0.611
510543HD12-0.611
510543HD13-0.611
512832HD11-0.684
512832HD12-0.684
512832HD13-0.684
512965HD11-0.4791
512965HD12-0.4791
512965HD13-0.4791
5130106HD11-0.629
5130106HD12-0.629
5130106HD13-0.629
5142106HD11-0.714
5142106HD12-0.714
5142106HD13-0.714
516587HD11-0.3821
516587HD12-0.3821
516587HD13-0.3821
516936HD11-0.5121
516936HD12-0.5121
516936HD13-0.5121
517227HD11-1.021
517227HD12-1.021
517227HD13-1.021
517243HD11-0.411
517243HD12-0.411
517243HD13-0.411
517254HD11-0.861
517254HD12-0.861
517254HD13-0.861
523768HD11-0.3221
523768HD12-0.3221
523768HD13-0.3221
524266HD11-0.5611
524266HD12-0.5611
524266HD13-0.5611
5263107HD11-0.3241
5263107HD12-0.3241
5263107HD13-0.3241
5263170HD11-1.7431
5263170HD12-1.7431
5263170HD13-1.7431
527939HD11-1.934
527939HD12-1.934
527939HD13-1.934
5316235HD11-0.9591
5316235HD12-0.9591
5316235HD13-0.9591
5352135HD11-0.83
5352135HD12-0.83
5352135HD13-0.83
536525HD11-0.5921
536525HD12-0.5921
536525HD13-0.5921
537257HD11-0.621
537257HD12-0.621
537257HD13-0.621
540657HD11-0.661
540657HD12-0.661
540657HD13-0.661
546667HD11-0.99
546667HD12-0.99
546667HD13-0.99
549832HD11-0.781
549832HD12-0.781
549832HD13-0.781
550523HD11-0.471
550523HD12-0.471
550523HD13-0.471
550692HD11-0.391
550692HD12-0.391
550692HD13-0.391
551687HD11-0.671
551687HD12-0.671
551687HD13-0.671
552479HD11-0.3401
552479HD12-0.3401
552479HD13-0.3401
554187HD11-0.501
554187HD12-0.501
554187HD13-0.501
557094HD11-0.621
557094HD12-0.621
557094HD13-0.621
5576110HD11-0.873
5576110HD12-0.873
5576110HD13-0.873
560033HD11-1.221
560033HD12-1.221
560033HD13-1.221
572929HD11-0.481
572929HD12-0.481
572929HD13-0.481
5741115HD11-0.811
5741115HD12-0.811
5741115HD13-0.811
574161HD11-0.361
574161HD12-0.361
574161HD13-0.361
574272HD11-0.772
574272HD12-0.772
574272HD13-0.772
574580HD11-1.201
574580HD12-1.201
574580HD13-1.201
578336HD11-0.4921
578336HD12-0.4921
578336HD13-0.4921
578436HD11-0.5271
578436HD12-0.5271
578436HD13-0.5271
580760HD11-0.611
580760HD12-0.611
580760HD13-0.611
581087HD11-0.5211
581087HD12-0.5211
581087HD13-0.5211
582757HD11-0.701
582757HD12-0.701
582757HD13-0.701
582857HD11-0.461
582857HD12-0.461
582857HD13-0.461
582885HD11-0.331
582885HD12-0.331
582885HD13-0.331
584366HD11-0.471
584366HD12-0.471
584366HD13-0.471
586733HD11-0.8201
586733HD12-0.8201
586733HD13-0.8201
5884121HD11-0.7291
5884121HD12-0.7291
5884121HD13-0.7291
5897144HD11-0.49541
5897144HD12-0.49541
5897144HD13-0.49541
5899111HD11-0.355
5899111HD12-0.355
5899111HD13-0.355
58996HD11-0.502
58996HD12-0.502
58996HD13-0.502
590030HD11-0.591
590030HD12-0.591
590030HD13-0.591
594782HD11-0.5901
594782HD12-0.5901
594782HD13-0.5901
595248HD11-0.4891
595248HD12-0.4891
595248HD13-0.4891
595945HD11-0.631
595945HD12-0.631
595945HD13-0.631
5981138HD11-0.951
5981138HD12-0.951
5981138HD13-0.951
5998115HD11-0.651
5998115HD12-0.651
5998115HD13-0.651
6125167HD11-0.811
6125167HD12-0.811
6125167HD13-0.811
613174HD11-1.2591
613174HD12-1.2591
613174HD13-1.2591
613833HD11-0.4801
613833HD12-0.4801
613833HD13-0.4801
6148165HD11-0.8631
6148165HD12-0.8631
6148165HD13-0.8631
614930HD11-0.641
614930HD12-0.641
614930HD13-0.641
619540HD11-0.60
619540HD12-0.60
619540HD13-0.60
619654HD11-0.60
619654HD12-0.60
619654HD13-0.60
624180HD11-0.4341
624180HD12-0.4341
624180HD13-0.4341
625339HD11-0.5551
625339HD12-0.5551
625339HD13-0.5551
62537HD11-0.5421
62537HD12-0.5421
62537HD13-0.5421
625395HD11-0.5471
625395HD12-0.5471
625395HD13-0.5471
6277126HD11-0.3651
6277126HD12-0.3651
6277126HD13-0.3651
62776HD11-0.3671
62776HD12-0.3671
62776HD13-0.3671
627778HD11-0.7031
627778HD12-0.7031
627778HD13-0.7031
629268HD11-0.681
629268HD12-0.681
629268HD13-0.681
6298151HD11-0.365
6298151HD12-0.365
6298151HD13-0.365
630237HD11-0.611
630237HD12-0.611
630237HD13-0.611
630333HD11-0.631
630333HD12-0.631
630333HD13-0.631
6310128HD11-0.412
6310128HD12-0.412
6310128HD13-0.412
633372HD11-0.4171
633372HD12-0.4171
633372HD13-0.4171
6334128HD11-0.621
6334128HD12-0.621
6334128HD13-0.621
634440HD11-0.711
634440HD12-0.711
634440HD13-0.711
636533HD11-0.471
636533HD12-0.471
636533HD13-0.471
636995HD11-0.521
636995HD12-0.521
636995HD13-0.521
6391122HD11-0.521
6391122HD12-0.521
6391122HD13-0.521
644215HD11-0.351
644215HD12-0.351
644215HD13-0.351
6444116HD11-0.456
6444116HD12-0.456
6444116HD13-0.456
651495HD11-0.341
651495HD12-0.341
651495HD13-0.341
657582HD11-0.4561
657582HD12-0.4561
657582HD13-0.4561
668628HD11-1.77
668628HD12-1.77
668628HD13-1.77
668653HD11-0.66
668653HD12-0.66
668653HD13-0.66
668664HD11-1.71
668664HD12-1.71
668664HD13-1.71
671289HD11-0.6171
671289HD12-0.6171
671289HD13-0.6171
672484HD11-0.413
672484HD12-0.413
672484HD13-0.413
6726140HD11-0.4401
6726140HD12-0.4401
6726140HD13-0.4401
674285HD11-0.447
674285HD12-0.447
674285HD13-0.447
674837HD11-0.7080
674837HD12-0.7080
674837HD13-0.7080
675966HD11-0.4830
675966HD12-0.4830
675966HD13-0.4830
6763129HD11-0.34
6763129HD12-0.34
6763129HD13-0.34
678698HD11-0.4601
678698HD12-0.4601
678698HD13-0.4601
684790HD11-0.3411
684790HD12-0.3411
684790HD13-0.3411
687748HD11-0.4691
687748HD12-0.4691
687748HD13-0.4691
6883137HD11-0.5071
6883137HD12-0.5071
6883137HD13-0.5071
690339HD11-0.35701
690339HD12-0.35701
690339HD13-0.35701
690439HD11-0.4501
690439HD12-0.4501
690439HD13-0.4501
6910102HD11-0.591
6910102HD12-0.591
6910102HD13-0.591
691071HD11-0.541
691071HD12-0.541
691071HD13-0.541
692180HD11-1.1711
692180HD12-1.1711
692180HD13-1.1711
694766HD11-0.411
694766HD12-0.411
694766HD13-0.411
696416HD11-0.851
696416HD12-0.851
696416HD13-0.851
6971106HD11-0.951
6971106HD12-0.951
6971106HD13-0.951
698068HD11-0.7391
698068HD12-0.7391
698068HD13-0.7391
698613HD11-0.751
698613HD12-0.751
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