THR CB Chemical Shift Outliers

Average chemical shift: 69.695
Standard deviation: 1.709

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
404913CB75.81
4063149CB78.31
423239CB78.391
423244CB79.381
455858CB76.7851
478112CB629.2061
490968CB87.451
517867CB74.8421
5208152CB74.891
53013CB81.5261
53014CB79.7311
579984CB76.61
581478CB74.941
586645CB80.221
605122CB77.4011
605291CB74.91
6202205CB75.991
631755CB74.9281
6357155CB75.0981
670063CB76.23
678246CB75.81
6838158CB75.1841
728657CB75.0201
1026625CB75.4641
1130617CB76.3321
115148CB75.0391
1524627CB75.4441
1530048CB74.9251
158779CB99.4361
15881101CB76.3321
15881103CB77.7321
15881105CB77.6621
15881107CB77.9421
15881109CB76.5421
15881111CB76.6121
15881113CB78.3971
15881115CB77.3121
1588152CB75.2661
1588191CB77.61
1588195CB78.2221
1588197CB76.5421
1588199CB77.1021
1603328CB75.3481
1613541CB74.941
16598155CB75.0801
16673156CB74.8711
1715313CB74.91
1715413CB75.21
1715513CB75.51
1739982CB74.9701
1749225CB76.912
1749521CB77.1411
17499239CB76.4101
17507125CB75.991
17570307CB76.3631
178693CB79.751
178694CB80.031
178695CB76.871
178704CB79.331
178705CB77.071
178713CB78.931
178715CB77.361
178723CB79.961
178724CB78.731
178735CB77.641
178744CB78.311
178753CB79.341
1789255CB75.269
1789355CB74.945
1789455CB75.743
1789555CB75.743
1789655CB75.5
1789755CB75.522
1789855CB75.5
179444CB75.401
1799591CB74.8411
1812596CB74.841
18135106CB79.5361
18267297CB75.2181
18303158CB76.6411
18303182CB76.3511
18344106CB79.1161
19156133CB75.1381
197594CB79.321
197595CB80.091
197596CB80.721
197597CB79.401
1985432CB75.6791
1985719CB77.2421
1985770CB76.8511
19976151CB74.9071
25003151CB74.9199
2595271CB75.6513
26586155CB75.41591
26590155CB75.39081
27211298CB75.7851
2735264CB74.8881
27411107CB78.11
27617155CB75.11
27943125CB76.3521
27947125CB76.1151
2812212CB75.0791
30100106CB75.305
3403791CB75.3961
360511CB79.18001
50172149CB76.2641
50173149CB76.4781
50174149CB76.2641
50176149CB76.2641
50177149CB76.2641
5036154CB75.128
50546155CB74.880
5058559CB74.91
50915103CB74.8901
5094649CB77.4041
5106618CB79.285
5106687CB79.988
5201412CB75.2581

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
405028CB62.591
406847CB63.081
406849CB54.831
407071CB63.31
407485CB42.851
4102218CB62.41
410722CB63.61
412735CB64.51
413021CB31.95
41308CB30.68
413121CB31.95
41318CB30.68
41444CB58.61
414463CB58.71
419331CB62.51
42324CB51.111
429935CB63.691
430035CB63.691
430573CB64.0501
431838CB63.901
4349112CB20.61
438527CB39.01
438554CB40.01
4388140CB64.351
4431118CB63.41
4431126CB63.71
443137CB63.11
443158CB60.51
443167CB621
461722CB14.23
461746CB32.68
461754CB14.23
469595CB61.51
472647CB62.20
474029CB63.61
478150CB49.2851
4797177CB62.81
489250CB62.95
489772CB50.71
491270CB64.05001
4936103CB64.11
4985104CB61.41
500877CB7.1
502271CB30.156
50416CB29.2681
507722CB61.741
509910CB63.989
512979CB64.291
525169CB62.81
5300146CB64.41
5300187CB64.41
5316179CB63.6651
5324121CB64.4121
540147CB62.521
5468193CB64.3051
546851CB63.731
550060CB45.3829
551438CB64.451
551449CB64.011
551462CB64.371
551727CB63.501
554725CB63.11
554750CB61.61
554752CB63.11
557235CB12.651
557236CB60.191
557270CB58.831
5599123CB62.6391
562212CB63.871
566383CB63.63
574537CB29.81
581066CB55.3211
58627CB63.81001
589477CB63.051
5929128CB58.91
594678CB34.3701
596053CB62.8791
6011110CB63.81
602143CB64.31
6035104CB43.11
605433CB63.381
611197CB62.741
612918CB64.47
6183327CB60.9781
628281CB60.31
630572CB29.971
6334123CB64.2031
633468CB63.6091
633471CB62.3391
634839CB64.1
63488CB64.1
635659CB64.015
635667CB62.736
6468228CB64.0521
6494125CB61.6001
650638CB63.9141
65426CB50.5401
658383CB60.301
6586101CB62.6941
658644CB60.9241
65868CB63.4031
658697CB61.3491
659433CB64.001
660945CB63.0631
6700133CB63.83
670263CB15.57
678222CB64.31
6793148CB41.31
687750CB60.7951
700349CB60.9751
700380CB63.4151
71208CB63.0781
712124CB44.51
7130239CB64.2001
718845CB30.3921
720269CB63.81
7325114CB64.38
742049CB61.7911
10023104CB63.551
1005413CB63.9591
1010982CB62.1751
1026061CB63.7941
1101933CB63.9331
1102033CB64.1021
1114936CB63.5211
111678CB63.8851
1118173CB63.4391
1131945CB64.1631
1144336CB63.5211
1159447CB32.31401
1500351CB62.5381
1507027CB60.231
15097147CB33.000001
15164463CB63.5081
151723CB64.11
151723CB64.51
1519989CB63.7541
1524742CB63.3341
15278127CB15.3301
1542475CB61.1221
1546652CB62.5381
1555831CB63.6901
1572283CB60.8611
157344CB63.6001
15785110CB62.929
1578562CB63.417
1580070CB63.601
15835170CB40.5081
15835171CB39.3591
1587334CB34.2671
1587345CB33.9331
158738CB31.8861
1587434CB34.2671
1587445CB33.9331
158748CB31.8861
1588229CB63.8891
15952110CB62.929
1595262CB63.417
160069CB60.4251
1605859CB63.5101
1610896CB59.7191
16204121CB64.3451
16204124CB64.4041
1620865CB3.9801
16237225CB57.321
1623789CB59.81
1633462CB63.4241
16337163CB62.91
16337177CB62.41
1633723CB62.99
163671CB44.791
1636710CB47.301
16367113CB46.791
16367143CB44.821
16367151CB44.881
16367159CB45.161
163672CB45.601
16367211CB42.891
16367216CB43.911
16367241CB46.581
16367266CB45.791
1636769CB45.271
16373107CB61.6101
16395223CB45.231
1670127CB54.9911
16729113CB38.4071
16729127CB39.5721
16729128CB18.2731
16729161CB27.3551
16729186CB36.5081
16729192CB36.8021
16729212CB32.3491
16729227CB17.8081
16729259CB31.2821
16729304CB40.0741
16729307CB31.8081
16729336CB38.6231
1672965CB63.6151
1672977CB27.3061
1672984CB37.3421
16767113CB62.7811
1677133CB21.621
1681427CB62.2971
16837156CB62.801
1687353CB20.6001
1693710CB43.8581
16937103CB43.7811
16937112CB43.8941
16937131CB43.7891
16937218CB43.6671
16937220CB44.6721
16937238CB43.4191
16937242CB43.2721
16937250CB43.7361
1693747CB47.4781
1693749CB43.4861
169376CB44.0271
1693782CB43.6961
169379CB45.0691
1693797CB43.9411
1693798CB43.8131
16940161CB64.531
1697126CB64.161
16984244CB64.3941
1710338CB38.0841
1710371CB43.8311
1714157CB35.4501
1714159CB35.9501
1716261CB64.2651
1716361CB64.4391
1723638CB64.01
1727664CB64.3761
1732743CB62.7801
1741555CB64.51
1741671CB64.2541
1745652CB64.4881
1745656CB64.0911
1745674CB64.4951
17471178CB62.9421
17471206CB64.3281
17471244CB64.1221
17497111CB63.5691
1752933CB64.2001
17614207CB63.2821
17640161CB-939.28001
17660220CB64.3971
17678158CB21.3841
176935CB63.9051
1778154CB64.1881
1778252CB64.4581
1782133CB64.11
17853169CB64.2951
1786317CB63.3251
17940175CB63.1041
1829687CB63.1351
18364123CB64.4371
18373103CB63.3061
18373120CB61.2541
18373129CB60.0821
18373137CB60.7751
18373150CB54.7711
18373152CB58.2321
18373158CB61.3781
18373159CB63.2731
18373185CB59.1721
18373186CB60.3541
18373200CB60.1661
18373205CB58.3381
18373212CB60.4381
1837324CB61.2611
18373252CB62.0091
1837341CB59.6551
1837343CB60.3241
1837355CB57.8961
1837364CB61.0531
1837366CB59.6351
1837374CB60.6101
1837379CB61.2161
1837388CB59.0701
1848811CB63.6721
18488112CB64.3681
1848837CB63.9581
1851621CB0.0001
1853447CB62.9001
18603233CB64.5371
186034CB63.5201
1860367CB64.4681
18609111CB47.8631
18609160CB53.4381
18609161CB52.5961
18609174CB50.4131
18609181CB52.0421
18609186CB52.2841
18609254CB55.3601
18609266CB54.5261
186094CB53.1371
1860976CB53.1781
186099CB52.0871
1879378CB62.4861
1881279CB63.11
1890132CB63.211
1895111CB44.2491
1895137CB42.0551
1896982CB50.0541
1906329CB63.008
1906330CB58.515
1906354CB60.934
1906390CB61.003
1906394CB59.344
1908762CB62.47821
1910431CB10.791
19107148CB62.0700
1911490CB61.399
1913816CB64.01
19223182CB64.2191
19223183CB63.8071
19224182CB64.5461
19224183CB64.0491
1923915CB31.571
193421CB62.2681
1941122CB31.91
19458119CB41.1930
1945861CB34.0412
1945874CB34.7190
1945876CB31.3164
1945895CB33.3550
19520118CB63.4341
19520121CB63.9941
19521118CB63.4341
19521121CB63.9941
19522118CB63.4341
19522121CB63.9941
1956049CB60.6571
1956080CB63.5591
1963760CB63.4871
1971614CB42.00431
1971615CB40.87831
1971622CB41.91991
19740181CB61.124
19834102CB63.704
1983467CB62.330
1984435CB7.498
1985192CB64.4571
1991531CB63.467
1991631CB62.685
1991640CB64.518
2502197CB61.7721
25040185CB64.4451
25043184CB64.2591
2513642CB62.8891
2524014CB62.5151
2524742CB64.341
2525980CB64.3691
2534217CB63.9991
2534293CB64.1731
25379122CB64.2551
25379154CB63.1881
25379184CB63.5871
2537920CB64.3041
2537960CB63.9781
2537970CB64.3721
2537976CB62.8611
25410134CB47.9981
2541717CB62.4471
255066CB62.350
255068CB63.626
255076CB62.91
255078CB62.51
2551046CB32.3751
2556717CB64.532
2556793CB64.362
2569310CB64.4121
2570175CB39.181
257386CB63.61
257388CB62.31
257396CB62.21
257398CB63.21
25760107CB64.256
2579265CB64.269
2582717CB64.4271
2583044CB63.7021
2591052CB63.0761
26552108CB39.6083
26552136CB36.7373
26552162CB40.3903
26552174CB37.2353
2655241CB41.1053
2655261CB37.5873
2674144CB64.344
2674194CB21.026
2674244CB64.35
26751223CB63.91691
2676373CB62.8831
26848111CB63.6891
26851111CB63.7451
26851163CB64.5501
2701917CB64.335
2708960CB63.0891
2720367CB39.2241
27244237CB63.2521
27273178CB63.371
27392279CB60.1011
27392287CB59.9731
27392291CB62.0511
27392301CB59.4431
27392383CB62.2651
27540116CB63.8641
2759111CB59.3501
2761115CB59.3481
27726140CB35.631
27774120CB19.8411
2783720CB27.09
28109117CB64.5271
30150121CB63.9941
3020715CB40.390
3023193CB62.01
30375215CB64.206
30375246CB64.059
304954CB3.9701
3053793CB62.91
30653106CB61.6511
307484CB45.219
3079313CB40.4871
31075164CB64.461
3108523CB64.401
34022111CB36.7373
34022137CB40.3903
34022149CB37.2353
3402216CB41.1053
3402236CB37.5873
3402283CB39.6083
34042113CB30.450
34042117CB29.839
34042131CB28.262
34042136CB27.875
3404214CB29.629
34042148CB30.943
34042150CB30.969
34042152CB28.669
3404216CB29.003
3404219CB29.218
3404243CB31.066
3404251CB27.875
3404266CB27.769
3404269CB30.637
3404270CB30.893
3404292CB29.144
3404296CB28.475
3431315CB63.6741
3611435CB63.6381
36117123CB29.624
3611990CB61.400
50022104CB35.407
5002211CB30.163
50022138CB60.616
50022174CB30.292
50022176CB42.808
50022177CB35.527
5002246CB27.344
5021723CB61.244
5033640CB62.131
50425137CB64.1981
50550228CB64.21
506919CB61.077
50790115CB63.5691
5080263CB61.975
5082178CB62.3701
5084545CB28.9641
509006CB57.280
5108668CB64.3411
5115652CB64.3431
51176298CB61.58
5123289CB17.21842
51419100CB63.8701
5142953CB62.717
5164959CB23.7611
51690570CB62.9631