PRO HD3 Chemical Shift Outliers

Average chemical shift: 3.62
Standard deviation: 0.371

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
7986HD35.162
26086HD35.142
33035HD35.752
33135HD35.312
37655HD34.952
92335HD35.442
119234HD35.752
137955HD34.852
173630HD36.052
219884HD35.1252
401986HD35.162
446680HD35.3571
494647HD34.762
550591HD35.262
562536HD36.302
600511HD35.1972
663436HD36.272
668667HD35.36
1023554HD34.7402
1023654HD34.7352
1023754HD34.7342
167675HD34.7972
1714470HD34.772
1714680HD34.962
1738271HD35.412
2567933HD38.353
27434212HD36.21
30570167HD34.8011

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
1913HD32.471
8028HD32.372
13360HD31.222
27430HD32.422
28748HD32.461
31630HD31.462
31730HD32.12
34635HD31.452
37430HD32.392
37530HD32.042
434118HD322
435117HD31.872
75925HD32.12
106178HD32.082
106191HD32.442
117130HD32.092
119435HD31.72
133817HD32.31
133917HD32.321
173425HD3-2.571
177530HD3-5.931
177730HD3-5.871
177930HD3-5.951
178130HD3-5.91
178330HD3-6.561
178530HD3-6.531
178730HD3-6.521
178930HD3-6.531
179134HD3-5.741
179334HD3-5.571
179534HD3-5.81
179734HD3-5.651
228318HD32.42
228339HD31.621
307872HD32.232
4027124HD31.772
402721HD30.392
4030148HD32.342
404253HD31.802
4064138HD32.162
406712HD32.1362
406712HD32.142
4078112HD32.421
4101163HD32.302
411547HD31.471
411647HD31.121
41277HD30.992
413040HD31.28
413081HD32.34
413140HD31.28
413181HD32.34
415838HD32.472
415898HD31.032
416551HD32.272
41791HD32.401
418930HD31.451
420266HD32.091
426712HD32.262
427657HD32.432
42915HD31.8841
4299138HD32.291
431233HD32.181
434271HD32.502
438197HD31.6562
4384113HD32.2282
4384139HD32.3932
439482HD32.482
439581HD32.302
440420HD32.412
441447HD32.182
442521HD32.3412
442621HD31.9702
442821HD32.50
44364HD32.412
44489HD32.352
447128HD31.871
452748HD31.292
452848HD31.252
457825HD32.052
462141HD31.83
463714HD32.042
464217HD32.342
464221HD32.402
470648HD32.4332
471219HD32.502
471333HD32.3872
471436HD31.8502
474334HD31.621
474434HD30.852
477728HD3-0.761
4786111HD31.22
480338HD32.451
480379HD32.081
480438HD32.451
480479HD32.081
480879HD32.081
480979HD32.081
483375HD31.142
485715HD32.341
4871162HD32.342
487195HD31.832
487936HD32.441
491723HD32.472
495558HD32.3332
496062HD30.231
496312HD31.342
496643HD32.4932
503828HD31.921
504839HD32.331
50549HD32.252
508623HD32.112
508824HD32.112
508861HD32.502
509181HD32.2302
512637HD32.440
516973HD32.2282
517225HD31.941
517929HD31.680
517970HD32.360
518151HD31.6902
520513HD32.438
521026HD31.5332
524837HD32.300
527934HD30.864
530426HD32.171
531939HD32.331
532552HD32.1621
533336HD32.452
53335HD31.882
5352107HD31.751
536665HD31.5302
537230HD30.902
53882HD31.7802
538866HD31.602
539620HD31.2222
5402107HD32.151
540630HD31.8492
545528HD32.272
546622HD3-1.76
547222HD31.8732
547322HD32.0522
549812HD30.962
549855HD32.322
54986HD31.862
550417HD3-0.257
550549HD32.272
55402HD32.52
556488HD32.141
557374HD31.781
557376HD32.141
561640HD32.1121
561681HD32.1981
562351HD31.8851
56252HD31.582
56255HD3-1.841
566030HD3-2.322
572915HD32.412
572952HD32.052
574544HD30.282
574585HD31.482
578270HD32.2042
586755HD32.0221
5884133HD31.9831
588775HD31.382
589727HD32.30902
592939HD32.362
595064HD32.4881
595069HD32.1851
5981149HD31.5972
5981163HD31.9282
598123HD30.4352
6003143HD32.0211
601547HD32.3612
604352HD32.035731
605898HD31.812
611320HD32.1431
611418HD31.892
612852HD31.872
612859HD31.762
6159193HD31.7202
616663HD31.8075
617163HD31.8075
619754HD31.7992
622831HD32.0612
623199HD31.882
626242HD32.4212
62889HD32.345
630921HD31.271
634226HD31.802
639535HD32.212
639575HD31.922
640176HD32.3442
644369HD32.052
644842HD31.3992
64569HD32.092
645935HD32.0311
645935HD32.0411
646427HD31.832
646721HD32.447
650733HD31.671
650833HD31.633
653326HD31.8212
655124HD31.829
655524HD31.9932
655575HD32.2102
655839HD32.278
655839HD32.314
655939HD32.338
659751HD32.2052
66342HD31.742
6712121HD32.1882
671928HD32.263
672128HD32.4051
673047HD31.868
673089HD32.473
6739113HD32.3102
67519HD32.3112
676117HD32.1042
677756HD32.0861
679742HD32.0242
682421HD32.3112
682968HD31.5762
685452HD32.0532
686672HD31.3632
68904HD31.242
690375HD32.38861
690475HD32.2802
692144HD30.6862
692185HD31.5542
696629HD31.972
696729HD3-0.569
697276HD32.422
697634HD31.1402
699056HD32.1272
699315HD31.751
706353HD32.0652
707013HD32.4312
707089HD32.0562
707526HD31.5262
707532HD31.9921
70834HD32.4851
71058HD32.3412
711312HD32.3031
711620HD32.281
711665HD32.242
717966HD32.482
7219103HD32.4452
7242175HD32.4422
728642HD32.3812
729625HD32.0482
730554HD32.4722
730654HD32.2282
732347HD31.0811
736548HD32.211
7414111HD32.3082
741453HD32.0752
1000538HD30.342
1000961HD32.4072
1002843HD31.5752
1003168HD32.3932
1003181HD32.1672
1003182HD32.2322
1006360HD32.1952
10101116HD31.7522
1011585HD32.0882
1012257HD31.7932
1012528HD32.3662
1013655HD32.1332
1014250HD31.9542
1014651HD32.0802
1014693HD32.2182
1015939HD31.7992
10160103HD32.4612
1016061HD31.8712
1016150HD31.9312
10162103HD32.2672
1016261HD31.7532
1019455HD32.3912
1019567HD32.2712
1024065HD32.1382
1024166HD31.8481
1024773HD32.3992
1025454HD32.1632
1026694HD31.9122
1027256HD32.1612
1027873HD30.9352
1027985HD31.1622
1029135HD32.2712
1030255HD32.3652
1031455HD32.3222
1031473HD31.8322
1031792HD32.1442
1032071HD31.8952
1032251HD31.7452
1032293HD32.4072
1032440HD31.8982
1032484HD32.2632
1032552HD31.8982
1032654HD31.9312
1032698HD32.4442
10327104HD31.9382
1032931HD31.8172
1032975HD32.0812
1033051HD31.7632
1033093HD32.4062
1033150HD31.7542
1033251HD31.7812
1033293HD32.4672
10333113HD32.1752
1033451HD31.6792
1033493HD32.1232
1033511HD31.8562
1033770HD32.5041
11001137HD30.682
1100190HD32.212
1100733HD31.9671
1100833HD31.8601
11012109HD32.1382
1101854HD32.082
1102662HD32.1732
110274HD32.1452
1102747HD32.2862
1103693HD31.1862
1104055HD31.9432
1104362HD32.2022
1107811HD32.0712
110827HD32.3442
1108524HD32.2592
1108720HD32.4362
1109090HD30.6732
110948HD32.2272
11095142HD32.2632
1109518HD32.4222
1110293HD32.4932
1110848HD32.3592
1114874HD32.0752
1115457HD32.3092
1115565HD32.0572
1115655HD32.0582
1116030HD32.3762
1119356HD32.2092
1119899HD31.5082
1121240HD32.5012
1121367HD31.4352
1121755HD32.2502
1121955HD32.1252
1122342HD31.9932
1122354HD32.3872
1123257HD32.4262
1124255HD31.8962
1124972HD32.4142
1125762HD31.9432
1127053HD32.4172
1128061HD32.2412
1128455HD31.8372
1128570HD32.3952
1129614HD32.2592
1129724HD32.2402
1130314HD32.2412
1131563HD32.2852
1131857HD31.9132
1132433HD31.9772
1134811HD32.0872
1134876HD31.9412
1135175HD31.9522
1135747HD31.7992
1136641HD32.3682
1140534HD32.3602
1140834HD32.2562
1149538HD32.1511
11516112HD31.7732
1156176HD32.4172
1156276HD32.4342
1158311HD31.7591
1159179HD32.4612
1159280HD32.1342
1204169HD32.4292
1500210HD31.845
1500231HD31.843
1500274HD31.393
1500714HD31.742
15011105HD32.4282
1501339HD32.391
1502017HD32.0852
1503424HD31.462
1503484HD32.492
15049104HD32.4771
15049151HD32.1981
150589HD31.1321
15059121HD32.1332
1506075HD32.3501
1509847HD32.2852
1509863HD31.3922
1511241HD32.3592
1512949HD31.9141
1515335HD32.0311
1515335HD32.0411
1515935HD32.0591
1520014HD32.3502
1527028HD32.1422
15279133HD32.1702
1529552HD32.1412
1530543HD32.4752
1530543HD32.4852
1530543HD32.4992
15329108HD32.0842
153339HD32.4532
1534952HD32.2602
1535154HD32.0542
1535614HD32.2442
1537360HD32.372
1537725HD31.996
1540756HD32.1642
1541513HD31.761
1541559HD32.11
1545333HD31.9301
1548073HD32.2062
1548393HD32.1442
1551055HD32.012
1551055HD32.022
1551173HD31.5771
1555036HD32.491
1555419HD31.7112
1557779HD31.992
15578283HD32.3112
1564555HD31.1322
1568413HD32.504
1571056HD32.1482
1571847HD32.4482
1573321HD32.3542
1575722HD32.422
1576524HD31.9772
1576573HD32.4562
1577746HD31.8502
1577788HD32.4392
1580047HD31.722
1580633HD30.2842
158147HD32.2202
1584787HD32.1202
1589399HD31.7262
1589479HD32.2222
1589579HD32.2222
1591254HD31.992
1591254HD32.042
15924137HD31.9152
1592443HD31.9871
15925137HD31.6882
15925179HD32.4002
1592540HD32.1482
1592851HD32.1132
1602552HD32.1811
1605354HD31.847
1605784HD32.3601
16058139HD32.2702
1607034HD32.300
1608834HD32.300
1609392HD31.842
1617999HD32.1402
1618099HD32.1702
1618199HD32.1502
1618925HD32.2222
1621511HD32.131
1621697HD32.232
1623663HD31.601
16237131HD32.3002
1624869HD32.3162
1624888HD32.3312
1625118HD32.4191
1625192HD31.7782
1625330HD31.972
1625336HD32.102
16272100HD32.0202
1627216HD32.1792
16283100HD32.0202
1628316HD32.1802
1631595HD32.082
16347118HD32.072
1636460HD32.482
1637269HD32.3192
1637424HD32.3792
1637524HD32.3792
16380106HD31.8212
1638513HD32.4252
1638571HD31.9652
16388123HD32.302
1642443HD32.1632
1644141HD32.2382
164432HD30.9722
1644321HD32.4512
1644915HD31.942
1646349HD32.1942
1647225HD31.7552
1647364HD31.762
1648021HD32.0402
1648324HD32.4572
1648526HD31.2121
1648578HD31.4781
1649319HD32.482
1649419HD32.452
1650219HD32.442
1652146HD32.482
1655749HD31.652
1656022HD32.0662
1657514HD32.4122
1660746HD31.4272
1662262HD32.2082
1662312HD32.023
16629129HD32.0142
1664717HD32.252
1667199HD32.1402
1667424HD32.1352
166745HD32.3702
1668171HD32.1442
1668420HD32.1455910065502
1670311HD31.0351
1670411HD31.1111
1670511HD31.1761
16772127HD30.8562
16773127HD30.8422
1677492HD30.962
1679436HD30.7342
1680556HD32.3162
1680954HD31.992
1680954HD32.042
1681359HD32.3762
1684262HD32.4531
1687264HD31.2162
1690914HD32.3502
169096HD30.9302
1692646HD32.07
16992127HD32.4661
16999101HD31.9832
170894HD32.1452
1708947HD32.2862
1709058HD31.5412
1710448HD31.7012
1710954HD32.1382
171317HD32.392
1714429HD3-3.132
1714629HD31.122
1715059HD32.4372
1716573HD32.2241
1716627HD32.2801
1716667HD32.1861
17275105HD31.9322
1727738HD32.3642
1729340HD32.1752
1731120HD30.2172
17314113HD32.241
173189HD32.4612
1738114HD32.1802
1738221HD31.663
1740221HD32.3542
1741894HD31.967
1742040HD32.3832
1743423HD31.3912
1743526HD31.4912
1744328HD30.9942
1745628HD31.2952
1745678HD31.3642
1748119HD32.1842
17501143HD31.0582
1751522HD32.28002
17518102HD31.6011
17519102HD31.6991
1752937HD32.4082
1753836HD32.3482
1753937HD32.2492
1754033HD32.2492
1754131HD32.0132
1754234HD32.0132
175434HD32.4982
175443HD32.3682
1754431HD32.1622
175444HD32.3522
1754532HD32.0442
1755154HD32.3292
1756936HD32.0252
1759814HD31.7702
1762913HD32.0942
1762955HD32.0052
1765674HD32.502
17683104HD32.4512
1771142HD30.33522
1771184HD32.12922
1772933HD31.6702
1773672HD32.232
1777747HD32.4462
17863150HD31.9242
1786378HD32.3742
1790335HD3-3.078
1790435HD31.834
1791256HD31.7962
1791356HD32.0612
17927129HD32.3722
1796544HD32.2542
1796581HD31.8152
1797133HD32.462
1801694HD30.702
1803256HD32.332
1812424HD31.3652
1815254HD32.1382
1816532HD30.9352
1816540HD32.3402
18180111HD31.8432
1818030HD31.9172
1819036HD32.1672
1821053HD32.3101
18211142HD31.7452
1825374HD32.482
1825547HD31.992
182619HD32.0792
182629HD32.0772
1826356HD32.312
1832094HD32.2002
1839491HD31.9472
184154HD32.4812
1843426HD31.6632
1843943HD32.44202
1845526HD31.9382
18464134HD32.3412
184717HD32.3882
1847170HD32.2212
1849832HD32.3202
1849933HD32.2492
185006HD31.6582
1850132HD32.1702
185014HD32.3392
1850232HD30.6162
185026HD31.6582
185962HD31.892
1862278HD32.23002
1862378HD32.15802
18636116HD30.6362
18637120HD32.1712
1863731HD32.2732
1864223HD31.69602
1865372HD32.2591
1866253HD31.832
1878762HD32.4201
1887062HD32.449
1890075HD31.0032
18904128HD32.01
1891175HD31.4462
1891986HD31.342
1895433HD32.4121
1895551HD32.0122
189715HD31.1102
1898287HD31.3451
1899096HD31.73002
1908511HD31.1311
19087114HD31.89472
1916345HD32.5051
1917891HD32.1062
1918318HD32.2901
1921756HD31.921
1923315HD32.4552
1925841HD32.332
1925941HD32.314
1929131HD32.3962
1929231HD32.4182
1929532HD32.3892
1929632HD32.4282
1931523HD32.40702
1937417HD32.385986
19458131HD30.4790
1947445HD31.961
1950317HD32.3511
195516HD32.0442
1960913HD32.0682
1963835HD3-1.613
1973843HD32.42002
19752118HD31.16802
19775173HD30.8051
19777162HD30.443
1978314HD32.5022
1984718HD32.232139
1985123HD31.2682
19910114HD32.4211
1995556HD32.0692
1998563HD32.4322
2105713HD30.86
2512448HD31.1912
2512548HD31.2342
25153120HD32.208
25155120HD32.203
2516691HD31.9162
2520521HD32.4922
2529420HD32.084
2530933HD31.972
2531033HD31.9052
2531133HD31.8252
2531328HD32.1152
2531428HD32.1302
2531528HD31.9802
25326106HD32.005
2534291HD31.9802
2534294HD32.4282
2535454HD32.3932
2535811HD32.46302
2537947HD32.0621
2540513HD31.8592
2540713HD31.8832
2543413HD31.982
2543776HD32.198
2543915HD32.4862
2545978HD32.0132
2546434HD31.912
2546440HD32.032
2551256HD32.4272
2551449HD31.742
2551549HD31.605
2552762HD32.452
2556231HD31.9382
2556791HD32.034
2556794HD32.486
2556931HD32.0512
255824HD31.6841
2565843HD31.9502
2566030HD31.5161
2567833HD31.8972
2568033HD31.8942
2568233HD32.2492
2568333HD32.2442
2571633HD32.006
2571733HD32.016
2573546HD32.3972
2574018HD32.4412
2575512HD32.105
2576174HD31.192
2576337HD32.042
2576620HD31.9632
2579836HD32.491
2579936HD31.8941
2580973HD32.233
2582953HD31.9502
2585331HD32.3852
2585354HD31.6882
2586435HD32.20202
2587462HD32.4172
2590730HD31.818
2590830HD3-5.989
2592566HD31.42702
259676HD31.8952
259796HD31.7682
2600531HD32.4482
2600631HD32.4472
2600731HD32.3982
2600831HD32.4432
2602222HD31.515
2651740HD31.2792
2661874HD32.4902
267254HD32.325
2678065HD31.7272
2691992HD32.0351
2697024HD32.5002
2697124HD32.5002
2697826HD32.4892
2704854HD32.1562
2724056HD32.215
2724063HD32.318
2743636HD32.3882
2753646HD32.412
2757937HD32.4381
276839HD31.9422
27876129HD32.1872
27989241HD32.4012
2804228HD31.768
2808214HD32.438
300106HD31.806
3001073HD32.242
3001324HD31.975
3002224HD31.975
30133119HD32.2989
3020628HD32.39002
30285120HD32.3551
3028585HD32.3361
3029340HD31.880
3030938HD31.4012
30332131HD32.0872
3038860HD31.61
3062331HD32.478
3065728HD32.3200
307939HD32.3251
30812121HD31.892
308588HD31.636
3090810HD32.181
3100729HD31.6871
310625HD31.4862
31065126HD31.35201
34030105HD32.3382
3403624HD32.4682
340497HD32.401
340507HD32.505
3406451HD32.5042
3406710HD32.1002
3406810HD32.478
3408176HD32.4292
340941HD32.3802
34121183HD32.0942
3413942HD31.478
3414392HD32.496
34294106HD31.706
3429985HD32.5022
3430187HD32.472
34341124HD32.2072
34341128HD31.7162
343628HD32.0711
3437636HD32.272
3437692HD32.065
3443233HD32.4531
3443333HD32.4991
3443433HD32.4561
3451133HD30.965
3451177HD32.165
3451940HD30.102
34549135HD32.372
3454948HD31.972
3457268HD32.5012
34610136HD32.179
3461836HD31.4652
3462856HD32.011
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