THR H Chemical Shift Outliers

Average chemical shift: 8.231
Standard deviation: 0.638

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
2930H10.991
6318H10.251
27419H10.751
27518H10.471
27618H10.541
34554H10.31
34624H10.151
37613H11.41
494120H10.541
92254H10.31
92324H10.151
117049H10.271
117119H10.541
137913H11.31
1581127H10.621
1582127H10.661
1583120H10.611
1584120H10.661
167314H11.11
171924H10.221
172054H10.321
1874120H10.631
206030H11.011
2208107H10.311
220832H10.281
237130H10.981
40505H10.381
4052120H10.63
4053120H10.54
41825H10.418
418949H10.301
420545H11.181
426430H10.901
429114H10.8181
434021H10.391
4341138H10.8751
436012H10.631
458969H11.31
470035H10.4521
4704145H10.5801
470443H10.2401
474414H10.363
483414H11.391
488114H10.731
4908113H10.841
49543H11.061
497230H10.961
500528H10.761
502619H10.93
507074H10.431
511766H10.1801
5222124H10.291
527914H10.419
531485H10.581
533314H11.001
537249H10.221
538310H10.470
5393164H10.3751
540649H10.3531
546611H11.13
554011H11.91
554015H12.21
557111H11.631
557115H11.991
562720H10.601
576916H10.242
581316H10.2671
581384H10.4731
5816165H10.871
582749H10.261
582819H10.611
582949H10.221
583019H10.641
584229H10.551
585725H10.6391
5879139H10.3991
5898108H10.761
5898174H10.781
594858H10.181
594958H10.181
599521H10.4181
599621H10.3891
6074228H10.3041
611446H10.581
6132151H10.201
6141107H10.3311
614132H10.3251
620767H10.501
627944H10.3581
631217H10.6231
6460104H10.3031
648314H10.457
649823H10.571
654626H10.391
657214H10.351
6602129H11.1061
663414H10.151
668627H21.7
672637H11.2241
674815H10.1900
67489H10.6970
683847H10.6431
68767H10.2571
691228H10.191
6939129H10.233
7121107H10.271
712195H10.191
7130232H10.8671
7180106H10.161
727153H10.3281
729792H11.0681
7310107H10.3321
731032H10.3171
739054H10.1621
742328H10.7661
742329H11.7271
1005725H10.3221
1007867H10.4961
1010528H10.2151
1012874H11.4471
1013052H10.3711
1101116H10.5351
1101184H10.6091
1103510H10.5441
1103710H10.2701
1116027H10.1881
1128565H10.1761
1147114H10.245
11570109H10.25401
1201435H10.31311
1506342H11.5741
1530124H10.2661
15357133H10.321
1536176H10.3191
1548883H11.201
15505115H10.36190221
15706220H10.3191
15734101H10.9401
1579712H10.7871
1579812H10.7731
158816H10.2761
1588189H10.2881
15901114H10.4451
1598332H10.891
1600931H10.7191
1603869H10.3981
1603969H10.4081
1607297H10.581
1608737H10.1531
1610252H10.6801
16123114H10.421
16146213H10.3981
1621666H10.211
1623793H10.991
1630679H11.071
1630779H10.821
1630779H10.861
1638588H10.5691
16395244H10.9391
163988H10.3851
16401102H10.4041
1642648H11.1221
16464371H10.2701
16585120H10.711
1663629H10.1541
1674094H10.23
1674194H10.39
1678239H10.421
16811109H10.25001
1684035H10.2691
1684693H10.9041
16917153H10.6661
16918153H10.6661
1692514H10.21041
1693114H10.24311
1693314H10.24921
16997100H10.2951
1707448H11.6181
1707648H11.3401
1712763H10.3231
1713770H10.3021
1722687H10.2661
1724921H10.531
1727430H11.0161
17293138H10.3091
1737135H10.7381
17415348H11.821
1741620H10.5501
1744735H10.4331
1773654H10.761
1779236H10.7271
1781838H10.651
1784654H10.291
1784654H10.301
1784719H10.541
1784719H10.551
1784849H10.271
17890122H11.0591
17902122H11.2931
1790324H10.271
1790454H10.374
17935154H10.153
1794779H11.351
1796358H10.1801
18013120H10.4861
18045137H10.181
18045162H10.621
1815551H10.5091
1819749H10.4431
1824588H11.0891
1824688H11.0651
18312110H10.201
1837341H10.7961
1837930H11.0161
1841193H10.8441
1842279H11.381
1842379H11.221
1842479H11.101
18428187H10.5111
1843728H10.3041
18477163H10.7481
1848972H10.2521
1860367H10.4691
1863641H10.4181
1872628H10.4951
18741121H10.5051
18760119H10.247
18760153H10.454
18775135H11.0351
1877915H10.8351
1878234H11.4991
18788120H10.731
189399H10.4971
1901378H11.1691
19047108H10.1501
1904785H11.0591
1904785H11.0631
1904885H11.0791
1904885H11.0871
19083219H10.992
1916941H10.3231
1921066H10.1801
1924014H10.1461
1924114H10.1461
19305195H12.2001
19306195H12.2001
1932314H10.173
1932414H10.173
194175H10.1491
19424121H10.2421
19432119H10.19791
1943237H10.15241
1954179H10.2561
1954179H10.2841
1954179H10.2921
19615221H10.3221
19616221H10.3621
1962634H010.4151
1963824H10.18
1971129H10.7371
1972689H10.5191
19740349H11.774
19742221H10.3121
19743221H10.2911
19744221H10.3121
1982698H10.1681
19885219H11.019
1994369H10.147
1994515H11.327
1994669H10.233
1997116H10.5581
1999031H10.83
1999031H10.87
25030107H10.189
2508577H10.3821
25104107H10.191
2510432H10.320
2515314H11.405
25197230H10.2411
2519730H10.2591
2524345H11.804
25292132H10.35201
2533732H10.3071
25338139H10.2141
25339119H10.2411
2533944H10.1741
25340108H10.1801
2534033H10.3631
25341119H10.3461
25341119H10.3531
2534217H11.2931
2541819H10.5331
2542219H10.5581
25462120H11.0251
25463120H10.9551
25502107H10.165
2550232H10.283
2564019H10.5731
2570328H10.3811
2575830H10.561
25766186H10.1851
25832125H10.1941
2585153H10.2371
25904170H10.2821
2590749H10.351
2590819H10.547
259186H10.54391
2604718H10.1971
26052119H10.6051
26564146H10.1641
2657819H10.4501
2658644H10.18931
2659044H10.18141
26722147H10.95101
2674194H10.71
2674294H10.3
2675970H10.1631
2676773H10.50658
2676890H10.181
2680182H10.5801
26871139H10.23481
26896153H10.6421
26897153H10.6611
26898153H10.6121
2695292H10.6531
2697932H10.7921
2698032H10.7761
2698132H10.8251
2698432H10.7971
2698628H10.6381
27022394H10.2331
27033127H10.15401
2703345H10.26301
27043119H10.5241
27048170H10.2121
2708292H10.349
2708392H10.438
2708829H10.3861
2708929H10.4181
2715935H10.3411
27217107H10.1501
2721732H10.1971
2721732H10.2461
2721832H10.2121
2721832H10.2351
2722426H10.531
2725419H10.6241
27265107H10.2181
2726532H10.3091
2744518H11.0941
27462160H10.210
27463160H10.148
2746926H10.721
2747026H10.851
2755027H10.9331
2756485H10.7991
27620109H10.251
2762034H10.311
27691295H10.7751
2773914H10.19001
27747143H10.2631
2785935H10.15
2787083H10.4921
2790221H10.2831
27975174H10.1926
27976174H10.1926
2807736H10.3041
2811088H10.6011
28132114H10.701
3037832H10.6191
30722104H10.1571
3077078H11.109
3082635H10.301
30861104H10.1521
30910215H10.655
30977107H10.1911
3097732H10.3031
3400969H10.147
3401069H10.170
3430835H10.3621
3437998H10.1541
3447177H10.633
3447278H10.633
3452718H10.412
3461930H10.4981
3463818H10.312
3469532H10.993
50022138H10.728
50023133H10.627
50080130H10.197
50080130H10.217
5023931H10.2971
5024031H10.2971
5038998H10.4111
5041118H10.3861
5069687H10.691679091
5069687H10.696068551
50870218H10.2351
5087097H10.1741
5094584H10.4171
5094649H10.4221
51105133H10.18911
5115651H10.28181
51166328H10.4001
5117981H10.3156100174828
51423144H10.3071
51424144H10.3811
51455243H10.1631
51657160H10.1541
51658160H10.1631
51766205H11.0141
5184775H10.621
5184875H10.961
52003160H10.154
52004160H10.167
52152149H10.576344121
52153149H10.593401851
5223736H10.3871

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
429124H5.7631
443628H5.721
455468H5.7521
4565145H5.371
456524H5.121
470491H6.0301
482712H6.20
482812H6.22
483766H6.211
486698H6.100
488156H6.291
518293H6.311
52632H5.426
533324H5.761
536352H6.2701
538232H6.08
554059H6.31
557159H6.021
562355H5.5441
574068H6.131
574168H6.251
5793139H6.251
588056H5.3201
589768H4.50211
597362H6.108
597689H6.0781
603083H6.301
605581H6.301
615918H5.9971
6249146H6.2401
6249149H6.2401
6249157H6.2801
6249164H6.0401
6249222H4.7901
624929H6.0101
624952H6.2901
624954H6.2401
624959H5.1201
624999H5.2601
627798H6.1351
656496H5.701
6584119H6.0611
693438H6.2921
694454H6.060
698472H6.171
701635H0.02
70164H0.02
701642H0.02
701671H0.02
706347H6.1771
722643H6.131
739571H6.313
742370H5.7351
10053180H6.171
1011467H6.2161
1028262H6.2701
1028867H6.2531
1101058H6.2661
1103851H6.2971
1114661H5.9001
1129022H6.2021
114418H6.231
114668H6.221
1507296H5.701
15170190H6.3001
1536118H5.4921
15492137H6.221
1549293H6.281
15493137H6.201
1549393H6.281
15494137H6.231
1549493H6.281
15495137H6.241
1549593H6.281
15496137H6.171
15558154H5.9731
1605925H5.3261
16085123H6.3121
16107106H5.8651
1620474H6.1751
16430194H6.3041
16475191H6.061
1651860H6.2321
165589H5.1691
165599H5.2191
1664942H6.2861
16673211H6.1121
1674033H6.23
1674133H6.22
16902160H6.1461
1698210H6.2931
1699960H6.1421
1701677H6.291
1704577H6.2071
17329126H6.2081
1740564H6.1881
17437104H5.8651
17477154H5.9701
17711114H5.76021
17725100H6.2141
17804278H6.2961
1782743H6.2201
1782777H6.2801
1792280H6.291
18099126H6.25421
1815576H6.0901
18215181H6.2541
18236111H5.9041
18266115H6.2241
18373205H6.2041
1876414H6.1121
188084H6.2151
1881338H6.0191
18953141H6.28001
19004180H6.141
19005186H6.111
190345H6.2421
1915258H6.312
1921392H6.1491
1924577H6.08301
19305114H6.2581
19306114H6.2581
1936672H5.9061
1970393H6.270
19803174H6.2661
1981119H6.2191
1985073H6.17
1985073H6.3
1985551H5.1841
198557H5.2331
19976208H6.0931
1998553H6.2201
2538126H6.1241
2540082H5.9221
2545166H6.2961
2548597H5.2061
25551180H6.111
2565621H6.252
2566544H6.2951
2567929H4.065
25821206H6.0861
2590425H6.2941
2595087H5.33271
2595187H5.37357
2595287H5.45135
2656248H6.22801
2658368H6.1571
2658468H5.9751
2658568H5.6331
26761100H6.099
26814183H5.9721
26832183H5.8791
26836183H5.9811
26837183H5.9471
2684434H5.9621
2699662H6.18
2704825H6.2761
27185104H6.09181
27191104H6.07301
2741136H6.291
27520425H6.2801
27521208H6.2551
27587108H6.0501
27617210H5.731
27617228H5.971
2775732H6.1481
27798104H5.891
27843137H6.241
30133146H2.7099
3017160H6.3011
3032239H6.1911
3065943H6.1501
3065977H6.2301
3067659H5.173
30779117H6.1061
3092559H5.173
3453645H6.198
3473845H6.2091
50158453H6.187
5033475H6.0711
5035580H6.2801
5077123H5.8481
5077223H5.8501
5083968H5.333
50903184H6.0221
50913183H5.9761
5096497H5.700
5100369H6.04901
5107344H6.0291
5120164H6.1881
51382151H6.307
5181447H6.1901
5215295H5.9729376551
5215395H6.0015066211