VAL HB Chemical Shift Outliers

Average chemical shift: 1.986
Standard deviation: 0.31

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
167359HB2.951
4027105HB2.971
40339HB2.941
40349HB2.991
4076183HB4.781
474413HB6.035
477772HB3.141
477773HB3.721
481473HB3.225
481742HB31.751
481766HB3.601
516341HB2.987
523743HB3.3191
5269121HB3.391
5275139HB2.9221
527913HB5.907
53639HB3.0171
562580HB2.991
574565HB4.561
584240HB2.991
593713HB4.0911
593916HB4.2181
5981115HB2.9651
6000123HB2.981
601189HB2.951
607321HB2.92
614231HB3.371
614262HB3.921
6226100HB3.001
622616HB3.071
626524HB2.931
628731HB3.1291
6297113HB2.9221
640038HB2.9241
663480HB2.991
668560HB3.2801
683669HB3.030
688864HB3.6271
692165HB4.3171
6967123HB3.311
696751HB3.211
7059131HB2.9501
7218128HB4.265
1007521HB2.9511
1114887HB3.1101
1129828HB3.1971
1129838HB3.2791
1129841HB3.1601
1129854HB2.9251
1129946HB2.9761
1537538HB3.4251
153755HB3.0161
154387HB31
1566339HB2.921
15835155HB3.0341
1600932HB2.991
1613981HB2.98
16306120HB3.611
16307120HB3.141
16321111HB2.9981
1642878HB2.9481
1644331HB3.2581
1644368HB3.5571
1661813HB3.0411
1667411HB3.2361
1670842HB3.011
1684938HB3.4251
168495HB3.0161
16862162HB3.0331
1692954HB2.93801
1714474HB3.321
1716032HB2.991
17446193HB2.9941
17532162HB3.0331
1757841HB2.9881
1758321HB2.947
1788059HB3.0401
1788068HB3.0001
1788612HB3.4411
18045148HB3.021
1810176HB2.9551
1832050HB2.9331
1842230HB2.971
186135HB3.0601
1892032HB3.9581
1939736HB2.935
19458107HB3.4603
1971130HB3.0121
2539478HB15.4439851
2547713HB3.3841
2569321HB3.7581
2571260HB3.3321
2665914HB3.2301
2665998HB2.9581
2666014HB3.2481
2666098HB2.9531
2666114HB3.2291
2666198HB2.9671
26960395HB3.0211
27062127HB3.0311
27192164HB3.3771
2746255HB9.919
2746355HB9.919
27536107HB2.921
2798713HB3.1511
3012619HB2.9571
30133114HB3.1749
3037598HB3.164
3061177HB3.2101
34308142HB3.5661
3469533HB3.120
3607519HB2.981
360807HB2.972
3628814HB3.3841
3638514HB3.3841
50269137HB2.921
5041284HB2.94901
5207711HB3.1041

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
839HB.521
4017HB.861
4068HB.841
6216HB.71
7940HB.941
13162HB1.021
16196HB1.051
16940HB.991
17131HB.941
18096HB.981
18196HB1.011
18291HB1.051
26040HB.921
29459HB.231
29559HB.251
34562HB1.021
36468HB.851
69586HB.311
75913HB1.031
82368HB.851
92262HB1.021
95632HB-18.51
11356HB.91
114496HB.981
114596HB1.011
120217HB.931
120317HB.851
120368HB.361
120417HB.831
120468HB.41
120517HB.881
120568HB.841
120727HB11
133313HB.981
139468HB1.031
163959HB.051
172062HB1.021
176686HB.21
205944HB.711
219840HB.771
233136HB.31
257554HB-.291
307837HB.451
344262HB.881
344293HB1.041
401940HB0.991
4022143HB0.071
402249HB1.031
402268HB0.341
403568HB1.021
403862HB1.021
403986HB0.401
404186HB0.371
404915HB0.831
406218HB0.871
406269HB0.861
408959HB0.891
410979HB-0.3211
410979HB-0.3931
410979HB-0.4291
413061HB0.4
413161HB0.22
415936HB0.2561
41815HB0.927
41844HB-0.561
419539HB0.151
4206166HB0.93001
4230109HB0.53
423421HB1.02901
424171HB0.6151
42496HB0.661
4262115HB0.581
4262144HB0.661
426767HB0.971
428272HB1.011
42888HB-0.541
429585HB0.881
4304116HB1.0101
431893HB0.931
433668HB0.801
43817HB-0.2541
442566HB0.3801
442666HB0.4051
44351HB0.421
443522HB-0.541
443672HB-0.451
45537HB0.662
460229HB0.971
462371HB0.421
462864HB0.960
467123HB0.791
468167HB0.94
475861HB0.051
477573HB0.801
480359HB0.171
480459HB0.171
480859HB0.191
480959HB0.191
483839HB0.451
483840HB0.591
485797HB0.731
488136HB0.521
491777HB1.041
493022HB0.841
493322HB0.841
494620HB0.411
494684HB0.411
494720HB0.331
494784HB0.371
494839HB0.1201
495686HB0.811
496964HB1.0531
499868HB1.051
500639HB0.3201
501339HB1.0461
5014111HB0.6341
502439HB0.491
502539HB0.221
502540HB0.611
502557HB0.981
505619HB0.2801
506546HB0.921
5072116HB0.9521
507341HB0.576
50834HB1.041
509161HB0.6601
512684HB1.030
515155HB-0.321
515254HB0.7661
5165136HB0.1791
516938HB0.4431
526338HB0.628
526987HB0.211
52793HB0.911
52794HB0.7
5299189HB0.5401
530449HB0.581
532049HB0.861
532084HB1.021
532942HB0.961
534395HB0.241
535718HB0.961
53573HB0.411
5396115HB0.6301
5396144HB0.6351
540459HB0.8001
540794HB0.335
546649HB0.97
546768HB0.8641
549023HB0.791
560212HB0.8761
560523HB1.051
562319HB1.0321
562518HB-0.881
562568HB1.001
567956HB0.031
568312HB0.742
5742142HB-0.195
574533HB0.971
575828HB0.9551
577448HB1.021
578235HB0.4501
578235HB0.6171
578338HB0.4181
578438HB0.4351
5786119HB0.141
580785HB0.881
580993HB0.021
580993HB0.041
5820163HB0.917
586215HB0.98001
594649HB0.8591
596986HB0.331
598839HB0.1401
599869HB1.041
601222HB0.5811
601237HB0.8941
601549HB0.5821
611349HB1.0231
613127HB0.9371
614259HB0.871
615930HB-0.4601
620178HB-0.3791
623034HB1.021
623098HB-0.091
623098HB-0.111
623710HB0.9671
623824HB0.8651
624859HB0.401
628054HB-0.2571
628838HB0.406
6295183HB0.8631
629527HB1.0411
631875HB1.001
633426HB0.3421
633769HB-0.1051
6340101HB0.7301
6341123HB0.8442
636543HB0.161
636583HB0.341
636980HB0.211
637683HB0.0701
639257HB0.781
639357HB0.851
643250HB0.8971
644729HB0.551
644752HB0.991
647564HB0.6331
647585HB0.3201
650738HB0.971
650838HB0.852
653637HB0.3411
653937HB0.3411
657895HB-0.32101
658546HB0.9501
658583HB0.3131
660367HB0.3911
660623HB1.0421
660644HB0.70621
661275HB0.37
663418HB-0.821
663468HB0.991
6644113HB0.811
664481HB0.611
6685177HB0.1231
672364HB0.449
6724113HB1.051
673064HB0.106
674452HB0.7561
675962HB0.9690
675977HB0.9180
676386HB0.74
676646HB0.3891
682927HB0.5321
6840110HB0.981
684767HB0.3501
686999HB-0.341
688567HB0.541
688895HB0.2161
69046HB0.3701
692133HB1.0411
693632HB0.9771
6946112HB0.671
696053HB1.023
696081HB0.869
696447HB-0.301
697221HB0.941
698860HB0.0961
6995112HB0.901
7008152HB0.249
7009132HB-0.092
7021102HB0.2071
702441HB0.385
705331HB0.551
705446HB0.611
708339HB0.7391
709447HB0.5711
7115154HB1.011
7115176HB0.931
711682HB0.521
711952HB0.8641
7121112HB0.561
715025HB0.541
717872HB0.551
7180111HB0.081
7204121HB0.5471
7228114HB0.971
7249120HB0.5891
725672HB0.701
7270102HB0.031
727452HB0.7821
728056HB-0.281
729160HB0.641
7298101HB0.9071
736527HB0.501
738165HB0.7841
1000623HB1.0451
1002821HB0.1241
1003269HB1.0371
10035113HB0.6361
1003746HB1.0491
1003892HB0.8981
1004249HB0.4801
1004672HB0.9961
1005684HB0.9581
1007565HB0.2971
10076118HB0.7441
1008438HB0.3141
1009317HB0.6451
1009989HB1.0271
1013854HB0.8991
10141116HB0.7881
1014382HB0.1341
1014668HB-0.0451
1016078HB0.0711
1016169HB0.3451
1016277HB-0.0781
1016370HB0.1891
1016414HB0.7461
1016563HB0.8231
1025314HB-0.6191
1025388HB0.1451
1025877HB0.3251
1026078HB0.8371
1026081HB0.6311
1026278HB1.0501
1027193HB-0.2281
1027385HB0.5101
1028645HB0.4401
1031288HB0.2131
1032088HB0.0031
1032185HB-0.0561
1032371HB0.2911
1032545HB0.4641
1032791HB-0.0221
1032872HB0.0481
1033068HB0.0571
1033267HB0.0121
1033387HB-0.0481
1033468HB0.0771
11001126HB0.601
1102952HB1.0421
11036142HB1.0091
1107389HB0.7981
1109817HB1.0521
1110031HB0.3011
1110697HB1.0261
1110921HB0.6631
1111162HB-0.0221
1111170HB0.5641
1111621HB0.1461
1111748HB0.3461
1112793HB1.0161
1114137HB0.5591
1114841HB0.5571
1116052HB0.4181
1118189HB1.0031
1120374HB0.7031
1120880HB0.4841
1121181HB0.8801
1123286HB-0.0071
11246112HB0.2241
1125312HB0.3941
1125876HB-0.1131
1128752HB0.8751
1129156HB0.9031
1129183HB0.9971
1129481HB0.0591
1130494HB0.6501
1130881HB-0.3951
11311114HB0.9841
1132044HB0.7281
1133529HB0.7991
1135725HB-0.1001
1137648HB1.0391
1138035HB0.9001
1140048HB0.6881
1140572HB0.9041
1140948HB0.5601
1141345HB0.7181
1141488HB0.9911
1142533HB0.3481
1146332HB0.9741
1147272HB0.8551
1148014HB0.8241
1148530HB0.8591
1148632HB0.6971
1148759HB0.7361
1148887HB0.7121
1149972HB0.8551
1156121HB0.9741
1156221HB0.9771
1156993HB0.3201
1159145HB0.8391
1505771HB0.7361
1505917HB0.9591
15063106HB-0.0171
1507446HB0.1641
1521752HB0.941
15270127HB0.7501
1527946HB-1.2191
1528063HB0.9221
1532754HB0.631
1537541HB-26.1201
153758HB-27.4801
1540165HB0.7841
1540265HB0.7921
1540371HB0.591
1540855HB0.8021
1541510HB0.731
1542948HB0.7641
1543348HB0.5401
1543448HB0.5401
1546921HB1.0221
1546970HB0.5961
1548038HB0.4281
1553754HB0.3791
155549HB-0.5261
1558527HB0.9761
1559325HB0.8061
1559762HB0.7231
1559862HB0.7181
1560259HB0.951
1560778HB0.2111
1561856HB0.6131
156187HB0.9641
15627112HB0.9311
15661101HB0.4561
1568468HB0.977
15685101HB0.9201
1568584HB0.1381
1569284HB0.1001
1570246HB0.951
1572268HB0.6311
1576118HB0.431
1577762HB0.1101
1578586HB0.4
1580098HB0.561
15804136HB0.7361
1580586HB0.291
1580587HB1.001
1581475HB0.1301
15867135HB0.941
15893135HB0.611
1589375HB0.6931
1589378HB0.3171
15913116HB0.71001
15924154HB0.0551
15925154HB0.2141
15927101HB0.2561
15950134HB1.0551
1595481HB0.9651
1600618HB0.8741
160063HB0.3101
16007119HB0.7181
1600830HB0.5801
1601622HB0.2001
1601897HB0.6221
1602189HB0.7971
1604249HB0.7801
1604284HB0.9401
1604649HB0.7991
1604684HB0.9661
1604749HB0.7801
1604784HB0.9401
1604849HB0.7571
1604884HB0.9401
1604949HB0.7571
1604984HB0.9401
1605173HB0.421
1606578HB0.7691
1609647HB0.4341
1610335HB1.0311
1611754HB0.8511
1615473HB0.421
1617912HB-1.2001
1618012HB-1.1941
1618112HB-1.2001
1618630HB0.991
16205235HB0.7541
162168HB-0.151
1623687HB0.961
1627784HB0.5841
1631924HB0.99701
16347139HB0.431
1634777HB0.431
1635515HB0.4551
163616HB0.3231
1636173HB0.7971
16362100HB0.3541
1637090HB-0.2251
16372130HB0.6501
1639722HB0.6371
1640217HB0.5441
164068HB0.5131
16442101HB0.7301
1644311HB0.3051
1644318HB-1.4151
164434HB0.4781
1644367HB0.4731
1644454HB-0.2111
164918HB0.5031
1657278HB0.8221
1658738HB0.531
1661356HB0.6191
166137HB0.9701
16630100HB0.3601
1664941HB0.5071
1667112HB-1.2401
1667468HB0.2551
1667539HB0.7341
16679147HB0.8191
1668815HB1.041
1669121HB-0.021
1671256HB0.0941
1671356HB0.0991
1680340HB0.0531
1684941HB-26.1201
168498HB-27.4801
1685057HB0.9951
1685057HB1.0101
1687216HB-0.2551
1688254HB-0.2731
1688458HB1.041
16934128HB1.0281
16942110HB0.7151
1694246HB0.9061
1694414HB1.0131
1695854HB-0.4151
16992139HB0.8911
1703540HB0.711
1703954HB0.161
1708551HB0.9971
1712474HB0.5471
17125115HB0.9531
17125144HB0.8021
171518HB0.5461
17160131HB0.841
1716538HB0.4051
1716632HB0.6481
1722694HB0.4871
1724221HB0.5811
1726821HB0.6121
1727523HB0.5471
1727961HB0.5031
1729920HB0.7731
1730020HB0.7761
17310115HB0.8851
17310144HB0.6071
17311115HB0.9291
17311144HB0.6221
1731587HB0.9591
1731811HB-0.8091
1738174HB0.8511
17382124HB0.8921
1739253HB1.0541
1739281HB0.8541
1739353HB1.03201
1739381HB0.87581
1740381HB0.7471
1742090HB0.3281
1742116HB0.7481
1747776HB1.0051
1750199HB0.6891
1751581HB0.41001
1753094HB0.501
1753496HB0.7851
1758672HB0.2311
175869HB0.8481
17622147HB0.9181
1768328HB0.9221
1770468HB1.0151
1778365HB0.5741
1780681HB0.5021
1780989HB0.081
1782294HB0.5281
1782430HB0.9311
17826127HB1.0111
1784054HB0.7351
1784154HB0.6391
1785391HB0.4361
17890149HB0.4401
17902136HB1.0371
17902149HB0.4091
180459HB-0.821
1804767HB0.9121
18053127HB0.8101
1805336HB0.9801
1805388HB0.7741
1809294HB0.6731
1809427HB0.5901
1811140HB0.9631
18122107HB0.4371
1812569HB0.91
1815639HB0.301
1815644HB0.041
1818629HB0.1561
18197108HB1.0391
18210125HB0.6441
1823895HB0.1651
1825095HB0.3391
1828124HB0.831
1829259HB-0.0611
18303201HB0.9991
1838049HB0.4471
1838844HB0.0661
1838944HB0.2961
1842224HB0.931
18423120HB1.041
1843990HB0.78301
18462101HB0.8751
18464144HB-0.0711
18466109HB0.9901
18467109HB1.0041
1850731HB0.8381
1850831HB0.8651
1853154HB-0.371
1855133HB0.881
1857439HB0.4481
1857539HB0.4681
1859226HB1.0441
1860741HB0.4241
18663173HB0.2331
18667173HB0.4601
1875574HB0.4871
1875832HB0.5501
1883777HB0.9181
1887673HB0.2411
1891934HB0.801
1892015HB0.4321
1899030HB0.94001
1899498HB1.0541
1900145HB0.2889
1900332HB0.8861
1901456HB0.4591
1903353HB0.2311
19066105HB0.9311
1910914HB-1.2181
19117106HB0.9591
19153106HB0.9681
1917967HB0.6021
1922561HB0.9871
19256105HB0.93692
1939454HB-0.3241
19404102HB-0.5201
1941344HB1.0001
1945227HB0.461
195166HB0.4281
19521130HB0.8861
1953887HB0.2341
1968558HB0.951
19687111HB0.9211
1973538HB1.0441
1973890HB0.78301
19752107HB0.76201
1977565HB0.6991
1993835HB0.461
19952115HB0.2341
19984151HB1.021
1998760HB0.181
2501694HB0.424
2502094HB0.340
2502766HB0.5541
2510233HB0.8321
2510971HB0.6941
2511377HB1.011
2513070HB0.7951
2514858HB1.0461
251709HB0.9121
2517180HB0.830
2525927HB0.7691
2534679HB0.471
2537752HB0.8871
2537934HB0.9951
2553652HB0.8981
2553852HB0.8491
2554652HB0.8641
2556026HB1.0441
2563961HB0.731
2565856HB0.5771
2566357HB0.822
2570062HB0.339
2580126HB0.5381
2580754HB-0.3541
2580938HB0.4560
2589379HB0.9911
2590955HB-0.2571
2591055HB-0.2881
2592554HB-0.17201
2595339HB0.097
2596726HB1.0391
2596823HB0.957051
2597919HB0.1031
2597928HB0.0681
2599547HB0.0221
2601050HB0.667
26061119HB1.036
263129HB1.0491
26333129HB0.3071
2651722HB-0.1361
2655251HB0.997
26577119HB0.8651
2657794HB0.7871
26582119HB1.0081
2658294HB0.7431
2671789HB0.831
267537HB0.3671
2685362HB-0.1531
2699141HB0.0651
2703062HB0.91601
27078102HB0.451
27078140HB1.011
2707824HB-0.151
2716754HB0.2161
2716854HB0.2161
2716955HB-0.2941
27177114HB-0.3151
2725117HB1.0231
2726250HB0.8801
27268122HB0.89
2727123HB0.4621
2749752HB0.811
27506138HB0.8641
2751865HB1.031
2753641HB0.701
27593112HB0.3481
2759345HB0.7311
2759563HB0.9391
2767711HB0.88001
2768723HB0.7531
2804242HB0.103
2804251HB0.068
28052107HB0.985671
2805838HB0.8571
3007072HB0.8671
3007528HB0.4641
3008756HB0.3231
3008854HB-0.3441
3009851HB0.9881
3013062HB-0.0961
3013162HB-0.0411
3020675HB0.77301
3022054HB-0.18501
3022254HB0.81801
3022354HB0.81801
30246132HB0.466
3029019HB0.491
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