BMRB

Biological Magnetic Resonance Data Bank


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

THR CA Chemical Shift Outliers

Average chemical shift: 62.213
Standard deviation: 2.758

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
407840CA70.51
423239CA76.091
423244CA77.081
423254CA71.161
423254CA82.161
472647CA71.60
5618197CA71.151
586028CA72.7971
597426CA70.9801
742049CA71.7181
1500013CA70.8700
158779CA92.6591
1653818CA70.5801
1654218CA70.6701
1749521CA76.0491
1829687CA70.7311
1916559CA71.79021
193421CA72.5791
3604559CA72.000
360511CA70.63001
5042159CA72.031
5042159CA72.048
5069687CA71.174172241

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
409752CA52.91
433164CA52.61
4431118CA52.11
443158CA52.01
5382149CA52.83
5511138CA51.931
5514230CA51.611
554725CA53.71
6444101CA50.936
662723CA51.71
713640CA52.56
7325114CA53.549
15578100CA52.6241
1572283CA53.3941
1587334CA42.6151
1587345CA41.9511
158738CA44.0171
1587434CA42.6151
1587445CA41.9511
158748CA44.0171
1633754CA52.89
16729128CA53.5591
16729186CA51.8671
1672938CA45.7301
16937236CA41.0351
16940175CA53.931
17722278CA53.115
1895111CA35.1561
1895137CA41.6051
18969117CA53.6601
1906329CA49.737
1906354CA51.119
1906390CA48.009
1906394CA51.534
19307117CA53.7991
19308117CA53.7991
19325168CA53.4801
1945883CA44.3944
1945895CA53.0631
1971614CA37.98671
1971615CA35.61741
1971622CA34.44301
25157121CA52.5321
25379122CA51.6251
25413195CA53.5
2567929CA0.971
2593028CA49.1681
25970117CA50.252
26552108CA29.8543
26552136CA33.0033
26552162CA26.8523
26552174CA33.8963
2655241CA29.5903
2655261CA30.6453
2659325CA5.3121
2659376CA5.181
2671512CA53.1471
2675129CA53.20251
2724964CA43.391
278002CA51.41
27859200CA53.4
34022111CA33.0033
34022137CA26.8523
34022149CA33.8963
3402216CA29.5903
3402236CA30.6453
3402283CA29.8543
34042136CA22.290
34042150CA20.295
34042152CA21.295
3404219CA21.018
3404243CA20.975
3404251CA22.284
3404266CA22.652
3404269CA20.774
3404292CA21.872
3404296CA20.975
50022162CA43.229
50022174CA50.931
50022176CA51.533
50022177CA49.276
5002246CA53.458
5002270CA41.303
50371205CA40.737
50678218CA53.794