ASP HB3 Chemical Shift Outliers

Average chemical shift: 2.661
Standard deviation: 0.267

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
32910HB33.652
35849HB33.822
49577HB33.831
50581HB335.62
81183HB3362
81283HB3361
81383HB336.31
81483HB336.51
139410HB33.652
147865HB33.482
148683HB3362
148783HB337.21
186971HB33.482
187053HB33.482
187577HB33.781
278757HB33.592
405277HB33.78
405283HB33.49
405377HB33.83
410570HB33.512
416031HB33.581
41607HB33.571
416531HB33.612
41657HB33.552
419530HB33.532
428571HB33.561
436037HB33.772
437670HB33.621
4452114HB33.62202
448745HB33.672
452854HB34.222
45893HB33.57
47442HB34.086
478280HB34.472
482179HB33.5481
483798HB34.921
48902HB34.581
491922HB33.4981
494656HB33.522
494756HB33.512
4959117HB33.6162
507129HB33.47501
5218207HB33.632
5269120HB33.542
52792HB34.145
529425HB33.752
531424HB33.511
534231HB33.561
537769HB33.602
5398174HB33.4892
560671HB33.751
562559HB33.982
5668174HB33.4892
572936HB33.541
579695HB33.482
580985HB33.761
580994HB33.62
5833114HB33.582
583869HB33.501
589954HB33.619
590272HB33.8032
596132HB33.512
596951HB33.481
596958HB33.542
600781HB33.672
600881HB33.732
601234HB33.4772
609332HB33.6321
609396HB33.6161
613219HB33.502
626275HB33.7111
628863HB33.710
629729HB33.7062
63219HB33.5221
633449HB33.9111
6343114HB33.502
636188HB33.4732
643915HB33.5172
6475108HB33.9782
651457HB33.612
661355HB33.6302
663459HB33.992
668625HB34.18
668665HB310.08
672657HB33.5282
676671HB33.5441
678749HB33.492
6883157HB33.5912
690883HB33.492
718989HB33.6442
720720HB33.6102
724320HB33.7162
7270143HB33.852
730417HB33.7532
7381115HB33.7142
738199HB33.5992
739529HB33.773
1003537HB33.8732
1021159HB33.7352
10239157HB33.5772
1033344HB33.5582
1118637HB33.5332
1129835HB33.6462
1129923HB33.5432
1129941HB33.5522
1132085HB33.7852
1146929HB33.7642
1159040HB33.4832
1505844HB33.5561
1524252HB33.517
1531520HB33.6322
1535777HB33.882
1535783HB33.492
1538575HB34.2312
15401115HB33.7142
1540199HB33.5992
15402115HB33.6782
1540299HB33.6092
1544071HB33.7492
1550766HB33.6292
1552898HB33.4842
1554370HB33.592
15597136HB33.5492
15598136HB33.5712
1567038HB33.5932
1567138HB33.7952
1568843HB33.7292
1571872HB33.5792
1577072HB33.522
1578361HB33.586
15797135HB33.5182
15798135HB33.4922
15877105HB33.9302
1587720HB33.6922
1590246HB33.542
1591630HB33.472
1596061HB33.48
1606652HB33.6942
1607284HB33.512
16098131HB33.8422
16115124HB33.6602
16120102HB33.8352
16306119HB33.591
16307119HB33.61
1633982HB33.4952
163452HB33.9902
1644354HB33.9501
1658577HB33.812
1658583HB33.482
1668370HB33.4631
1680115HB33.582
16835100HB33.8912
168422HB33.7542
1685060HB36.9312
1688157HB33.522
1706282HB33.8622
1709131HB33.592
1714473HB33.632
1728895HB33.8052
173108HB34.2032
1738270HB33.841
1744894HB33.4772
1750135HB33.6432
1755111HB33.5982
1757471HB33.5302
1767461HB33.586
1771520HB33.4701
17745154HB33.532
17879101HB33.8912
17927116HB33.4702
1796065HB33.5042
1801377HB33.8852
1801383HB33.5452
1804734HB33.8232
1808870HB33.54
18188131HB33.57002
182107HB33.7311
18215119HB33.7452
1835221HB33.4661
1838716HB33.7712
1838812HB33.6662
1862433HB33.70102
1865394HB33.4831
1878877HB33.842
1879416HB33.6142
1887428HB34.0132
1887862HB33.6742
18966103HB33.6132
19056110HB33.5182
19117123HB34.3202
191548HB33.69002
19431104HB33.4962
1949730HB33.7702
1949847HB33.6972
1951081HB33.479
1971134HB33.4642
1974653HB33.684
200149HB33.498
2516868HB33.5892
252979HB33.6672
2534654HB33.692
25453112HB33.5862
2547712HB33.8362
254772HB34.4892
254773HB33.4862
2580736HB33.7351
2585999HB33.4702
258742HB33.6682
2591857HB33.70702
25919104HB33.9002
2604845HB33.5001
2633535HB33.5036
26603112HB33.7852
2676971HB33.8512
2677645HB33.7262
2677664HB33.6932
2677764HB33.6952
2677771HB33.5822
2678960HB33.5402
2756586HB33.854
2769056HB33.654
2786949HB33.9122
2786971HB33.6652
2798712HB33.8942
279872HB34.5212
2798744HB33.5782
2798965HB33.9932
2809987HB35.147
3003320HB33.783
3008916HB33.797
3009420HB33.7422
301332HB33.4689
3059045HB33.4761
30798114HB33.58302
3081927HB33.50402
3402632HB33.5991
3408546HB33.5232
34307100HB33.7362
3434132HB33.4772
3434775HB33.774
3446079HB34.664
3461879HB33.4942
3469355HB33.5612
3612986HB33.537
3617714HB33.563
5041259HB34.06362
5052346HB33.474
51379148HB34.0252
51470140HB33.6022
51471140HB33.5912
5166230HB33.4672
5166259HB33.5812
5214764HB33.625

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
126104HB31.822
2951HB31.321
39224HB31.641
69548HB31.342
2278103HB31.62
238487HB31.142
347151HB31.42
347251HB31.242
401095HB31.222
404578HB31.842
405620HB31.612
405693HB31.442
406498HB30.582
4080106HB31.472
408030HB31.462
408218HB31.811
4106182HB31.6100
411778HB31.832
41276HB31.812
4129104HB31.732
412916HB31.582
41599HB31.4211
417399HB30.652
417754HB31.642
418453HB31.342
42112HB30.921
42227HB31.40
422935HB30.9822
422935HB31.0322
423135HB30.982
423135HB31.032
426835HB30.952
427110HB31.5901
427185HB31.8001
4284122HB31.7902
42842HB31.7802
428420HB31.4302
428493HB31.2002
428857HB31.302
429171HB30.7451
4335146HB31.652
433517HB31.742
434085HB31.171
438123HB31.5162
438157HB31.7262
440130HB31.441
440779HB31.332
44352HB31.701
4486103HB31.762
4492105HB31.63
460231HB31.762
4679128HB31.1148
467999HB30.9848
468036HB31.242
470063HB31.1632
470350HB31.652
4722100HB30.992
472230HB30.992
473918HB31.62
4761124HB31.402
478858HB31.301
485256HB31.371
487853HB31.372
4881161HB31.672
490246HB31.581
491453HB31.341
493036HB31.181
493336HB31.181
499415HB31.582
499833HB31.752
50404HB31.691
507121HB31.49001
509182HB31.6202
514826HB31.5732
515633HB30.772
515633HB31.822
516321HB31.105
520454HB31.552
520521HB31.254
522419HB31.682
523293HB31.702
523932HB3-1.462
523953HB31.382
523996HB31.792
530467HB31.242
5324113HB31.3532
532441HB31.3122
534721HB31.4291
536680HB31.2192
548020HB31.4622
548093HB31.3352
550331HB31.602
557016HB31.772
559628HB31.2132
560121HB31.502
562596HB31.792
5627100HB31.752
562951HB31.8352
568652HB31.8342
570719HB31.632
571162HB31.5562
572219HB31.522
577020HB31.662
577093HB31.472
584429HB31.7232
585116HB31.459
587274HB31.232
593121HB31.5501
5983117HB31.672
599221HB31.532
600244HB31.5552
602245HB31.751
602320HB31.462
602393HB31.432
603366HB31.541
605158HB31.6152
607390HB31.78
607932HB31.2351
608627HB30.6022
610492HB31.4032
612052HB30.672
612514HB31.672
613212HB31.082
613472HB31.761
6159102HB31.8212
616165HB31.322
617547HB31.2841
61799HB31.8252
619361HB31.7311
6199163HB31.562
620947HB31.7412
623127HB31.222
631844HB31.342
6344133HB31.592
637658HB31.5832
6436112HB31.74
644224HB31.731
644292HB31.691
645440HB31.7902
646537HB31.3762
647570HB31.8522
663496HB31.842
664826HB31.7951
668540HB31.6512
668621HB30.48
668659HB31.47
668825HB31.11
670552HB31.25
6716125HB31.578314
674020HB31.852
674459HB31.8322
6759142HB31.7240
675949HB31.8320
677631HB31.8002
685434HB31.0932
689029HB30.592
690169HB31.7102
690334HB31.71501
692135HB31.7972
697277HB31.592
7059110HB31.8322
708312HB31.7531
718175HB31.732
719048HB31.4721
719238HB30.842
725676HB31.762
729833HB31.6632
731066HB31.6742
732251HB31.5342
732464HB31.2891
73264HB31.823
1002832HB31.8152
10068132HB31.3842
1007059HB31.7702
1008090HB31.0802
1010128HB31.2902
1010197HB31.6112
1011075HB31.3592
1012046HB31.7612
1015317HB31.7452
1021432HB30.0912
1021532HB30.1722
1021915HB31.6792
1025470HB31.5442
1026582HB31.8322
1029949HB31.3162
1031653HB31.8452
1104037HB30.7222
1109427HB31.4592
1109527HB31.5521
11108105HB31.7532
1112165HB31.5102
1113436HB31.0902
1114925HB31.7492
1116615HB31.8562
1116917HB31.6962
1117117HB31.8422
1117577HB31.3451
1121737HB31.4202
1121930HB31.7912
1126770HB31.4602
1128856HB31.1872
1128946HB31.7402
1130056HB31.3262
1135233HB31.7762
1135323HB31.8522
1135433HB31.7792
1139217HB31.8482
1140541HB31.1062
1140841HB31.1002
1148613HB31.5662
1148868HB31.5792
1156177HB31.6242
1156277HB31.6262
1159175HB31.8292
1202111HB30.097
1501273HB31.7612
1501637HB30.019
1502876HB31.5482
1510066HB31.592
15197112HB31.7702
1519735HB31.7402
1528131HB31.8542
1531242HB31.839
1533836HB31.742
1535136HB31.1122
1536194HB30.9932
1536931HB30.9872
1538246HB31.79
15385105HB31.5422
15388105HB31.5982
1540458HB30.7982
1540757HB30.4722
1548765HB31.444
1551037HB31.112
1551037HB31.122
1551751HB31.4202
1555458HB31.3192
1557672HB31.3922
1560617HB31.8122
15623112HB31.7302
1562335HB31.7402
1562420HB31.472
1562493HB31.440
1564484HB31.6041
15663127HB30.781
1568559HB30.9902
1569259HB31.7702
1571038HB30.7172
1571653HB31.842
1574682HB30.7332
1575521HB31.602
1581071HB31.2632
1585144HB31.6762
1589381HB31.8482
1593586HB31.4682
15975106HB31.6732
1600270HB31.62002
1603253HB31.5752
1603881HB31.6242
1603981HB31.6252
1604534HB31.5822
1607290HB31.692
1614132HB30.97
161751HB31.7682
1621624HB31.542
1621658HB31.262
1624895HB31.632
1625076HB31.0182
16266102HB31.5072
1627194HB30.4099
1630648HB31.71
1630748HB31.132
16334187HB31.2591
1636467HB31.652
1644396HB31.4481
1646520HB31.442
1646593HB31.402
1651736HB31.802
1657221HB31.8422
1657431HB3-0.1261251
1657531HB3-0.2321
1664357HB30.82202
1664892HB31.0252
16675153HB31.6502
16679185HB30.8902
1676420HB31.382
1676493HB31.282
1677389HB31.5822
1680531HB31.8402
168115HB31.79002
1686235HB31.822
16929113HB31.31102
1692996HB31.69002
1694551HB31.4012
16946111HB31.2981
1710987HB31.4382
1715853HB30.9442
1724961HB31.852
1728925HB31.6902
1728985HB31.6932
1730013HB31.7632
1731540HB31.6672
1736855HB31.7562
1740577HB31.6972
17429127HB31.592
174349HB31.4942
1744799HB31.1292
1749061HB31.8092
1749161HB31.8312
1750120HB31.2412
1750187HB31.7232
1751864HB31.1071
1751964HB31.1181
1752926HB3-0.3622
1753235HB31.8222
1753433HB31.4772
1754322HB3-0.2262
1758117HB31.6012
1771529HB30.3501
177419HB31.5182
1775519HB31.08602
1777120HB31.4972
1777120HB31.5832
1777193HB31.3892
1777193HB31.4772
1780922HB31.732
1783359HB31.8082
1785349HB31.6111
1803231HB31.842
1805330HB30.7892
1808220HB31.5012
1808412HB31.3422
18112138HB30.1572
18133124HB31.7112
1815287HB31.4382
18167130HB30.8822
1816719HB31.8242
1818048HB31.5692
18249132HB31.6192
1826331HB31.842
1829226HB30.1722
1832316HB31.34502
1839857HB31.4542
1841566HB30.5682
1845978HB31.0012
1846210HB31.6432
18473104HB31.3842
1850021HB3-0.2262
1850221HB3-0.1822
1857312HB31.550
1857735HB31.8202
1857872HB31.6272
185788HB31.4702
1858732HB31.8352
18613146HB31.5412
1867746HB31.581
1871788HB30.9742
1884028HB31.52592
18877215HB31.5472
1891739HB31.6862
1891936HB31.582
189489HB31.131
18953109HB30.00002
1897623HB31.5122
1897696HB31.4042
1904790HB30.3881
1904790HB30.4001
1904890HB30.5071
1904890HB30.5271
1906162HB31.541
1906647HB31.8552
1906788HB31.6182
191325HB31.0382
1919310HB31.5902
1919785HB31.8102
19206123HB31.7762
1922074HB31.8342
19256140HB31.76063
1929362HB31.554
1931952HB31.5352
1932156HB31.3912
1937620HB31.358
1938057HB31.8172
1939583HB31.715
1939716HB31.177
1942150HB31.3971
1942250HB31.5262
1944939HB31.160
19458122HB31.4121
1945858HB31.3210
1960920HB31.1462
1963362HB31.7852
1965723HB31.8582
1976670HB31.3632
1977124HB31.4681
1981616HB31.45002
1981716HB31.47001
19834101HB31.853
1990466HB31.5462
1994338HB31.565
1994593HB31.619
1994638HB31.523
1995531HB31.7041
1996162HB31.4742
1998517HB31.8272
1998732HB31.712
1999150HB31.8181
2500026HB3-0.0392
2503127HB31.7512
2522118HB31.6832
25239132HB31.592
2534926HB30.2632
2541191HB31.7871
2542127HB31.4062
2543429HB31.310
2543734HB31.439
2545146HB31.7862
2549771HB31.4142
2550266HB31.699
2556233HB31.6182
2557777HB31.4131
25712131HB31.8442
2571617HB31.783
2571717HB31.787
257549HB30.8492
2575795HB31.3211
257704HB31.3582
25832103HB31.8452
2583284HB31.6782
2585278HB31.7411
2586524HB30.02602
2586624HB30.29302
2594514HB31.2142
2597423HB31.8512
26011107HB31.6882
2602282HB31.515
2633686HB31.70002
26657101HB31.2622
2668750HB31.7592
2672359HB31.5052
2677568HB31.5252
2678020HB31.6802
2690162HB31.8172
2691915HB31.8102
2704816HB31.7022
2706230HB31.6811
27078169HB31.092
2715976HB31.7431
2735381HB31.551
2810279HB31.2712
3000928HB31.4132
3001128HB31.0242
3004773HB31.66002
3004873HB31.66002
3005073HB31.66002
3006320HB31.5132
3006393HB31.3522
3007042HB31.5472
3013344HB31.4089
3013386HB31.4239
3015620HB31.5062
3015693HB31.3482
301888HB31.591
3031727HB30.958
3037626HB31.250
3037726HB31.197
3039787HB31.8271
3050130HB31.247
3050230HB31.243
3051537HB31.7431
3056137HB31.833
3068456HB30.9582
307388HB31.48062
3075420HB31.7032
3076123HB31.5472
3080131HB31.29402
3085725HB30.105
3085846HB30.097
3087014HB31.57002
3097766HB31.7122
3100767HB31.7762
3101456HB31.58102
3106226HB30.8182
3110313HB31.072
3400938HB31.565
3401590HB31.7871
340191HB31.5352
3409544HB31.7012
3418913HB31.47
34201105HB31.4002
3422724HB30.9422
3422924HB30.9422
3426220HB31.512
3426293HB31.822
3430183HB31.8382
3434510HB31.3861
3434653HB31.3951
3440793HB30.0572
3450328HB31.284
3450362HB31.261
3450421HB31.505
3450455HB31.187
3452120HB31.5262
3452193HB31.3652
34608106HB31.2752
3464875HB31.7982
3471937HB31.7092
3474535HB31.7811
3600520HB31.515
3600593HB31.309
3600677HB31.4201
3600777HB31.4161
3601168HB31.5252
3609667HB31.4012
3617521HB31.539
3617917HB31.846
5016023HB31.5472
5020754HB31.6232
5020863HB31.6402
5023824HB31.810
5036112HB31.631
5036119HB31.398
50424105HB31.4952
5044899HB31.5812
5048526HB31.1712
5122221HB31.5422
5128921HB31.5322
5129618HB31.7572
5139835HB31.7412
5151815HB31.5442
5171594HB31.3892
5178363HB31.5962
5178462HB31.6312
5182121HB31.5312
5182194HB31.3821
5189618HB31.6332
5210070HB30.920