HIS HB3 Chemical Shift Outliers

Average chemical shift: 3.048
Standard deviation: 0.372

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
27418HB314.822
28518HB392
29264HB34.412
29293HB311.682
31718HB314.21
33023HB314.92
33123HB3152
34623HB314.961
49918HB314.32
50019HB38.62
92323HB38.772
95618HB3122
117118HB314.62
119222HB314.92
119423HB314.92
120761HB310.071
120878HB36.971
141393HB36.21
1571102HB324.752
1573102HB322.022
171923HB313.271
173416HB36.52
173618HB313.992
175189HB38.52
175293HB311.22
177518HB314.031
177718HB314.051
177918HB314.061
178118HB314.071
178318HB314.261
178518HB314.251
178718HB314.271
178918HB314.351
179122HB314.871
179322HB314.91
179522HB314.91
179722HB314.931
1808170HB313.91
1839175HB314.92
1841175HB314.72
1889175HB314.62
2038177HB316.812
248827HB392
248927HB38.71
2640119HB338.51
2641119HB332.81
2642119HB331.61
4435110HB38.792
443526HB38.661
443529HB39.172
443538HB312.952
443539HB38.772
443555HB313.861
443573HB38.412
443587HB312.501
460239HB37.421
460263HB310.012
474417HB312.762
474420HB37.113
474430HB314.117
474445HB319.776
474453HB315.395
477718HB316.341
483753HB310.832
483795HB311.891
502618HB38.71
517215HB315.881
523934HB34.22
526946HB39.201
526970HB39.621
527917HB312.88
527920HB37.22
527930HB314.334
527945HB318.601
527953HB315.547
527966HB312.385
546610HB39.74
559531HB34.182
5625106HB318.452
562522HB39.242
562525HB310.572
562534HB313.972
562535HB38.282
562552HB316.112
562567HB35.132
562570HB38.862
562583HB314.512
566018HB314.602
5677119HB34.4861
574567HB39.932
580987HB36.661
580987HB36.761
580989HB34.92
589778HB36.97642
613161HB39.7461
623063HB34.272
623063HB34.42
623092HB36.471
623092HB36.51
6634106HB318.472
663422HB39.282
663425HB310.642
663434HB313.702
663435HB38.222
663452HB316.072
663467HB35.142
663470HB38.852
663483HB314.422
692073HB34.312
1135115HB34.1962
160197HB34.8002
1620930HB34.3832
1621030HB34.3992
1630645HB39.22
1630669HB39.452
1630745HB39.231
1630769HB39.261
16443106HB319.0611
1644322HB310.0611
1644334HB315.3441
1644335HB39.3131
1644352HB314.8151
1644376HB34.3821
1667547HB34.1922
1714418HB317.202
1722681HB38.6902
1782472HB34.2582
1790323HB313.912
1790376HB37.799
1846673HB34.6452
1891944HB37.261
1896332HB34.192
1896332HB34.202
1932831HB34.532
1942187HB34.2171
1963823HB38.365
19854139HB36.8852
19854199HB34.3512
2547717HB311.3521
2547720HB36.0701
2547731HB312.8971
2547747HB318.0842
2547755HB319.3271
2547769HB311.9671
2590818HB38.919
2672551HB34.792
2725418HB38.8172
2798717HB317.6962
2798720HB38.1592
2798731HB313.0042
2798747HB318.0342
2798754HB321.6242
2798768HB312.6322
2810283HB34.2262

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
28618HB3.792
29297HB31.322
29437HB3.812
29461HB31.12
29537HB3.812
29561HB31.122
31618HB31.091
34523HB31.121
38512HB31.812
44312HB31.772
50544HB3-6.21
50569HB3-6.21
75916HB3.212
81146HB3-5.71
81246HB3-4.81
81346HB3-5.31
92223HB3.812
117018HB31.12
120861HB31.071
133316HB3.822
148646HB3-6.11
148746HB3-5.31
172023HB31.142
2068102HB31.41
226151HB31.661
286887HB31.891
344287HB31.882
402455HB31.121
402723HB31.852
403091HB31.912
403890HB31.521
404994HB31.772
406294HB31.771
413039HB30.38
413063HB30.37
413139HB30.56
413163HB30.33
414160HB31.692
4158150HB31.472
415882HB31.332
418918HB30.781
420814HB31.101
4263124HB31.812
4267166HB31.632
4291106HB31.2871
429122HB31.2851
429134HB30.9721
429135HB30.2361
429152HB31.0171
429170HB31.1091
429183HB31.4711
430558HB31.7402
430575HB31.5102
434364HB31.661
436863HB31.422
437013HB31.812
437111HB31.765
4436110HB31.302
443626HB31.192
443638HB30.681
443639HB31.621
443655HB30.991
443673HB31.211
443687HB31.461
447118HB30.841
447858HB30.701
457816HB3-0.141
460215HB31.782
4648163HB31.90
46788HB31.84
471314HB31.5612
474317HB30.451
474320HB31.061
474330HB30.972
474345HB30.622
474353HB31.421
474366HB30.782
4761122HB31.432
480337HB30.442
480361HB30.392
480437HB30.472
480461HB30.382
480837HB30.492
480861HB31.141
480937HB30.492
480961HB31.141
491255HB31.74001
492826HB31.447
496016HB31.181
496061HB3-1.231
498013HB31.752
503147HB31.902
5048117HB30.601
508614HB3-0.172
508815HB3-0.182
509139HB30.4602
509163HB30.7202
522257HB31.712
526983HB31.921
530418HB31.902
5319117HB30.551
5333106HB31.261
533322HB31.032
533334HB31.051
533335HB3-0.162
533352HB31.162
533370HB31.101
533383HB31.411
5352162HB31.652
537218HB31.041
540618HB31.1062
5578116HB30.52
5579116HB30.55
559715HB30.871
562315HB31.2021
562774HB31.472
567428HB31.54
569246HB30.941
574519HB31.902
583226HB31.762
586679HB31.681
587131HB31.591
587668HB31.7751
58846HB30.8571
593741HB31.7482
600528HB30.9621
600566HB31.2461
604927HB31.586
6055178HB31.912
606628HB31.61
606728HB31.88
609655HB31.2822
613113HB31.9021
618970HB31.8801
630030HB31.762
634245HB30.702
655817HB31.264
655817HB31.276
655917HB31.182
657587HB31.2402
657873HB31.25002
659750HB31.8852
6605115HB31.83
660954HB31.8542
664827HB31.2411
665557HB31.9102
668275HB31.892
67196HB31.199
67216HB31.5441
673258HB31.49
681088HB31.472
686958HB31.041
688211HB31.6212
692119HB31.8452
692143HB31.8342
692167HB31.5082
6934126HB31.8742
6965125HB31.659
696617HB31.182
699516HB31.332
705339HB31.692
705951HB31.3641
705957HB31.6461
716767HB31.712
720616HB31.8141
720753HB31.9022
729616HB31.1821
1003267HB31.8372
1003975HB31.8972
1007161HB30.9932
1007249HB30.8412
1007416HB30.3912
1007665HB31.6992
1009828HB31.8291
1010835HB31.3522
1018913HB31.4152
10235111HB31.7902
1023595HB30.7462
10236111HB31.7242
1023695HB30.6492
10237111HB31.7232
1023795HB31.4542
10238141HB31.4632
10238157HB31.7192
10239150HB31.4632
10239166HB31.7152
1024430HB31.8802
1024526HB31.8072
1024620HB31.4492
1024639HB31.4992
1026569HB31.5422
1029129HB31.6092
1032158HB31.5082
1032960HB30.8172
1106010HB31.6312
1106558HB31.9132
1108992HB31.2952
1110681HB31.6712
1110796HB31.4512
11109116HB31.2282
1113067HB31.6202
1114277HB31.8142
1115263HB31.3942
1116252HB31.9082
1117348HB31.4202
1122819HB31.5992
1123780HB31.4422
1128437HB31.1122
11295135HB31.2142
1131650HB31.5542
1132165HB31.0442
1136345HB31.6102
1138536HB31.9212
1147187HB31.472
1150032HB31.8012
1154023HB31.5412
1159776HB31.8791
1500262HB31.869
1508692HB31.8632
1511273HB31.2592
1517359HB31.8952
1520870HB31.7552
1528183HB31.8412
1528957HB31.8772
15295130HB31.1932
1530057HB31.8722
1530639HB31.7702
1534493HB31.6012
1534494HB31.8892
1543173HB31.712
15511120HB31.1401
15607206HB31.2831
1560754HB31.31
15717139HB31.66
1575716HB31.781
1576519HB30.7971
1576539HB31.7172
1576549HB30.9262
1576552HB31.3212
1576562HB31.6392
1576565HB31.5582
1576579HB31.3241
157659HB31.8611
1581079HB31.7052
1582353HB31.4002
15826190HB31.4462
1583590HB31.3662
1589398HB31.812
15913131HB30.36002
1592472HB30.9822
1592850HB31.7082
1593964HB31.9262
16204129HB31.5422
1621964HB31.7392
1623132HB31.1171
1625514HB31.212
16276103HB31.8202
1630782HB31.842
1637866HB30.9622
1648557HB31.9172
1654534HB31.5962
1656860HB31.7732
1667425HB31.0362
1667434HB30.2692
1667435HB30.7061
1667452HB30.5802
1667469HB31.1812
1671327HB31.3972
16790107HB31.1732
1684217HB31.1582
1684220HB31.4971
1684247HB31.5642
1684255HB31.4271
1684269HB31.0202
1685884HB31.4652
1685984HB31.4552
1686184HB31.4542
1686584HB31.4552
1690915HB31.3302
16958154HB31.6652
1701887HB31.9022
1701987HB31.8722
1703086HB31.8302
1710910HB30.8682
1714618HB30.832
1716168HB31.822
172664HB30.9061
17289119HB31.8052
1728979HB31.0222
173208HB31.5842
1738143HB30.6552
17493156HB30.0562
17546106HB31.66
1755442HB31.6312
1758118HB31.0872
17620109HB31.8332
17620111HB31.6582
176329HB30.7942
17683103HB31.5172
1769130HB31.7712
1769168HB31.7512
1780844HB31.385
1781244HB31.3912
1781618HB3-0.3872
17833100HB31.1802
1790423HB31.032
1801346HB31.9152
18028107HB31.8371
1802935HB31.442
1802998HB31.872
1811327HB31.7372
1815210HB30.8682
1816515HB31.3342
1820320HB31.3722
1820620HB31.3052
1827888HB31.8802
1832017HB31.1522
1837439HB31.8942
184046HB31.882
1844327HB31.9282
18504106HB31.9112
1856236HB31.476
1859615HB31.802
1859979HB31.6122
1864237HB31.08402
18653137HB31.5331
1876186HB30.7522
1878717HB31.4241
1878720HB31.4241
1878731HB30.8611
1878747HB31.5711
1878755HB31.3881
1878769HB31.0341
18870107HB31.800
1890451HB31.828
1891920HB31.593
1895528HB31.8152
18990110HB31.11202
19045148HB31.7142
1928219HB30.152
1929921HB31.7652
1930025HB31.2672
1931537HB31.05502
1931560HB31.45802
1939729HB31.835
19422142HB31.8262
194238HB30.7832
194508HB31.0292
1951142HB31.5202
19521116HB31.8661
1953888HB31.6192
19586107HB31.7941
1965455HB31.667
1973770HB31.7592
1984357HB31.102
1991330HB31.220
1991430HB31.246
1991546HB31.867
1991646HB31.870
1997214HB31.892
199723HB31.902
1998518HB31.1202
1998532HB31.3682
1998549HB31.4652
1998570HB31.1142
2004812HB31.892
2502720HB31.6212
2515128HB31.1242
2515333HB31.435
2515533HB31.375
2524024HB31.8651
2532662HB30.489
25411122HB31.8891
254118HB31.9251
2544767HB31.727
2545520HB31.2862
2566018HB30.6601
25852107HB31.7781
2587417HB31.0982
2587420HB31.4812
2587431HB30.8502
2587447HB31.5242
2587455HB31.6212
2587469HB31.2242
2590718HB31.098
2599387HB31.9122
2600122HB31.2452
2602234HB31.857
2604791HB31.7962
2650975HB31.6931
26558130HB30.5152
26687107HB31.8811
2669147HB31.8031
26748115HB31.9121
26780112HB31.6522
27048232HB31.8342
2716281HB31.7122
27284104HB31.789
2736317HB31.1512
2736320HB31.5432
2736331HB30.9952
2736347HB31.5762
2736354HB31.5172
2736368HB31.2212
2741186HB31.882
27417206HB31.5872
2778114HB31.5562
2811850HB31.5421
3013129HB31.4332
3013964HB31.901
3018646HB31.7542
3020738HB31.762
3020832HB31.9011
3021038HB31.669
3031827HB30.3112
3046989HB31.634
3051461HB31.842
3052227HB31.227
30584124HB31.9009
3061055HB31.667
3064127HB31.0222
3064227HB30.9662
3064326HB31.5522
3064426HB31.0632
3065968HB30.8292
3067327HB31.0712
3067427HB30.9922
3080766HB31.905
3080934HB31.2942
3087227HB30.3712
3092820HB31.8792
34015121HB31.8891
340157HB31.9251
3403046HB31.6952
3404422HB31.6172
3406415HB31.2781
3410210HB31.4562
34140131HB31.6672
3414028HB31.7722
3417824HB31.3601
3420288HB31.809
3422536HB31.64502
3422782HB31.1192
3422982HB31.1192
3424620HB31.7751
3426726HB31.5232
34308122HB31.8922
3430817HB31.6911
3433645HB31.828
3458687HB31.7102
3473032HB31.679
5012417HB31.622
50166125HB31.332
5120966HB31.15801
5154798HB31.7541
5154898HB31.7541
5166236HB31.7212
5167427HB31.4101
51832155HB31.6792