LEU CB Chemical Shift Outliers

Average chemical shift: 42.227
Standard deviation: 1.819

Low-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
140432CB50.91
40396CB47.911
40416CB47.921
406071CB50.411
406077CB53.701
407068CB48.41
4082112CB49.01
409299CB47.71
413630CB47.901
415012CB83.013
415020CB84.806
415024CB86.153
415026CB84.667
415039CB84.498
415073CB81.210
4206163CB47.69001
423214CB55.771
423242CB53.481
423249CB53.291
423258CB52.611
423279CB52.421
4251107CB48.21
4252107CB48.21
4265146CB49.331
4282144CB47.71
429960CB48.091
430060CB48.091
4340126CB48.91
434268CB48.31
437626CB48.031
43769CB48.471
44446CB48.41
449715CB48.42
4553111CB47.71
456527CB49.161
456657CB48.541
459915CB48.42
461782CB49.22
46489CB48.2
466418CB50.031
467561CB49.631
4706117CB47.6901
472132CB47.71
472241CB48.91
478663CB48.21
482924CB48.4631
488150CB48.51
490167CB48.941
5031106CB47.891
503238CB48.51
5051100CB49.11
507599CB48.01
508191CB49.3641
509040CB47.811
510055CB48.11
512626CB48.100
51296CB48.481
514279CB47.706
515949CB47.71
517911CB90.280
517913CB89.180
517936CB93.180
517938CB92.980
517946CB90.280
521131CB48.070
521231CB48.000
523521CB47.9491
526762CB47.741
528038CB51.291
530957CB48.21
533754CB49.631
536537CB48.7981
5570140CB47.81
560627CB47.811
5666220CB48.571
566644CB50.371
571994CB48.6111
573656CB48.56
5789110CB47.871
579265CB48.91
581089CB48.1821
5820138CB48.644
5820141CB47.976
593960CB47.9021
594082CB49.2811
5947127CB47.8391
602657CB49.61
603426CB47.91
6051125CB48.3181
6074174CB49.7541
6074182CB48.1281
6116126CB47.7521
611693CB47.791
6140139CB48.671
6140247CB49.331
619723CB48.1571
625379CB48.0011
625661CB48.51
627139CB48.3801
6341136CB48.7601
634140CB48.7801
634160CB49.6211
6344124CB47.71
635681CB48.658
636446CB47.71
637346CB47.941
644719CB48.21
654080CB48.80601
654664CB48.21
657542CB48.8051
658248CB47.711
659447CB47.801
660362CB47.7851
660647CB48.371
661151CB48.61
661356CB50.5561
662226CB63.87381
6685149CB47.7701
6752242CB47.8100
675314CB48.5800
676322CB49.18
678158CB47.911
6783130CB49.021
678373CB47.751
6793107CB47.71
684762CB47.9801
686055CB47.8591
687688CB47.8641
690641CB48.79
696435CB49.71
702039CB48.4391
702273CB48.3161
705435CB48.01
708844CB47.7301
712297CB47.91
7206120CB47.9171
720775CB48.5101
722026CB48.3001
722034CB48.8001
7240211CB48.3641
724260CB48.6851
728150CB48.01
7286117CB48.2561
728659CB48.4761
729890CB48.3001
733994CB47.7161
737651CB47.7251
738250CB49.152
1000844CB48.8361
1003518CB49.2581
1003720CB48.4611
10073126CB49.1961
1007415CB48.0811
10080104CB47.7431
1008278CB47.7081
1008445CB47.8171
1008650CB47.6951
10115102CB47.9571
1014116CB48.2831
10164112CB47.8751
1016427CB48.7281
1024136CB47.9541
1025024CB48.3811
1025414CB48.9361
1025416CB47.8031
1026379CB48.1161
1026627CB47.6931
1026794CB47.9101
1027918CB47.9451
1028014CB47.7271
1028556CB47.9131
1029646CB47.7461
1029948CB49.2961
1031316CB48.0471
1031515CB48.2951
10318128CB47.8581
1033398CB47.8761
1033651CB50.0191
1106152CB47.7631
1106226CB49.0971
11083125CB47.7311
1115234CB48.2481
1119327CB47.7351
1128376CB48.3881
1128890CB50.1801
1130683CB48.8131
11351135CB48.6801
11351144CB47.9261
11441116CB48.51
11442130CB47.8531
11466116CB48.4921
115277CB48.1341
1157071CB48.22901
1157546CB49.1391
1157867CB50.27801
1159467CB50.27801
12014132CB48.03501
1512920CB48.4641
1513328CB48.41
15139109CB48.91
1517751CB47.6951
15202146CB47.7421
1524047CB48.4041
1532649CB48.531
1532653CB47.801
1533451CB48.8721
1535334CB48.0311
1538636CB47.8851
1540362CB49.021
1541940CB48.4261
15426167CB47.811
1542687CB48.742
1546995CB47.9031
15501208CB49.13301
15504109CB47.801
1553720CB47.9021
1555032CB47.901
15558155CB47.8181
15593123CB48.2451
1559338CB48.8601
1559730CB48.0001
1559830CB48.0001
15607139CB48.211
15607247CB48.91
1561881CB48.1141
1566049CB48.671
15684146CB49.127
1570642CB47.8851
1570718CB47.9611
1572094CB47.7161
15727183CB48.8561
15736133CB48.0951
157856CB47.948
1578819CB47.751
15788250CB47.771
1579128CB48.1681
1579383CB48.0401
1580252CB48.8051
1580274CB48.2681
1580526CB48.11
1582653CB48.5501
1583658CB48.21
1585559CB47.7111
1587711CB73.6011
1593930CB49.5271
1594331CB48.061
159526CB47.948
1600132CB48.2381
1600833CB47.7401
1601669CB47.8691
160378CB47.7101
1603848CB48.1501
1610126CB47.7661
1618855CB48.5011
1619163CB48.41
1630518CB48.0881
1630918CB55.5461
16334122CB69.1001
1635525CB48.2451
1638557CB47.7941
16446115CB47.9501
1647245CB48.0601
1647260CB48.5311
16516217CB48.0391
1651829CB48.51
16613164CB48.2511
1661381CB48.3071
1664884CB49.91
1667323CB48.7391
1668061CB47.7001
1668218CB49.61
16729116CB63.3221
16729305CB67.7161
1673114CB48.0031
1673166CB48.6141
1673491CB48.9801
1674181CB48.18
1674866CB48.1901
1677294CB48.4871
1677394CB48.4871
16780152CB47.741021
1678855CB48.651
1681171CB48.09801
16840140CB49.1321
1684038CB48.5261
1687424CB49.4061
1690944CB49.0001
16992138CB50.0191
1699281CB48.7991
1700791CB49.0461
1702525CB48.8011
1708514CB48.5401
1711086CB48.1041
1717624CB47.71
1719122CB47.8521
17200132CB47.691
1723440CB48.101
1726325CB48.7941
17265113CB48.5081
1727931CB47.8951
17293113CB48.3001
17310131CB48.7951
1731430CB48.0311
1731445CB48.6071
17364121CB47.8551
17376208CB49.6281
17382123CB50.0031
1738266CB48.7881
1739924CB47.9001
1740740CB47.9691
1742129CB49.3121
17447140CB49.1651
17477155CB47.8181
17499100CB48.2241
17501130CB49.1851
1753075CB481
17570168CB47.7681
1757680CB48.1211
1757718CB49.81
1758280CB48.3311
17592115CB48.3001
17597255CB48.51
1760798CB47.90701
1762123CB47.8401
1762669CB61.461
1762675CB64.471
1780979CB47.91
17829150CB50.4561
17842122CB48.3851
17878180CB48.0691
17878231CB47.7531
1796730CB48.331
1796830CB48.331
1800346CB48.21001
1809293CB47.8191
1810869CB49.1441
1812352CB48.3551
1812552CB48.381
1812553CB47.891
18133119CB50.5791
1816154CB47.9811
1816544CB49.0481
18167131CB47.8681
1818095CB48.0611
18204123CB48.7811
18215102CB48.2211
1827735CB49.2721
1833848CB48.500
18376109CB47.9691
18377109CB47.8481
1839420CB48.8001
18404116CB47.791
1844385CB48.1991
1847326CB49.0031
18567113CB48.3991
186204CB47.71
18647145CB49.71151
1865393CB48.6941
18712126CB47.734
1883732CB48.3531
18849101CB47.8971
1887089CB47.88
1890143CB48.549
1893926CB48.0061
18941108CB48.2491
1899196CB48.0041
1899296CB481
1899334CB48.7311
18994125CB49.3721
1902866CB48.2811
1904744CB49.7981
1904844CB49.7061
1906947CB48.101
1911365CB49.4881
1911783CB48.0231
1915383CB47.7011
1915643CB48.2201
1918785CB47.6851
19223147CB48.3401
19273100CB47.9791
1929938CB47.9531
1932551CB47.9901
19458110CB71.0627
1948219CB48.72101
19518114CB48.2671
19615167CB50.1991
19615175CB48.4801
19616167CB49.8031
19616175CB47.8551
1962514CB47.81
19687172CB48.5991
1973165CB47.6861
19742167CB49.6321
19742175CB47.8761
19744167CB49.6321
19744175CB47.8761
198006CB49.345
1984025CB49.0541
1984125CB49.2711
19852108CB48.7221
19854108CB48.7221
1985538CB49.6051
1985729CB48.3361
1985762CB49.1171
1991086CB47.8001
1994550CB48.037
1997618CB48.3721
1999181CB48.5531
2500154CB48.176
2500318CB48.3939
2514248CB47.919
2514530CB48.3041
2516786CB47.7531
25217102CB48.2800
2523810CB48.544
2527841CB53.81
2527868CB54.81
2528830CB48.4281
2530647CB48.0031
2532446CB48.0031
253286CB47.8171
25381113CB47.8971
2538157CB47.7421
2538224CB71.796
2538233CB69.053
2538247CB69.736
2538259CB69.879
2538273CB72.501
2538284CB70.354
2538516CB48.64511
2543452CB48.049
2546245CB48.0101
2546282CB47.9971
25482130CB49.1471
2549214CB48.5221
2555235CB47.7251
25554108CB48.7221
25562157CB48.0441
2567553CB48.5851
25768114CB47.941
25776114CB48.9771
25776150CB48.4911
2577647CB48.3431
25798110CB47.8821
25799110CB47.8311
2582516CB48.0521
2596982CB48.124
2598553CB47.9221
25993123CB49.1611
25993166CB49.4981
2632949CB47.9431
2652736CB49.3511
2652776CB48.2411
2652936CB49.3511
2652976CB48.2411
2654735CB48.3721
26552107CB47.724
26558165CB48.1081
26569190CB47.9531
26751189CB47.91371
2678068CB47.7401
2678075CB47.8581
26788172CB48.0701
26814147CB48.7401
26832147CB48.6521
26835147CB48.3911
26836147CB48.2561
2685363CB47.7361
2687376CB48.2751
2687567CB47.6861
2687667CB47.6861
2687767CB47.6861
2687867CB47.6861
2692776CB48.2291
2692876CB47.8661
26929102CB49.5651
2693377CB48.5321
2693678CB48.0901
2693719CB47.8601
2694464CB49.046
2695251CB48.1811
26962213CB47.898
2696986CB48.1771
26989108CB48.206
2702096CB49.0691
27078118CB47.71
2709041CB48.1461
2711286CB47.748
2714643CB48.7321
2714660CB49.3181
2717080CB48.7671
2719567CB47.7477
27224177CB48.621
2723498CB47.861
2724865CB48.380
2728277CB47.9921
2730728CB48.4601
2735277CB49.0281
2735293CB49.0281
2735294CB49.0281
2739511CB47.701
273959CB48.501
274246CB49.7731
2743937CB48.9341
27441191CB48.251
2744781CB47.8371
2745551CB47.8181
2745951CB47.8201
27469177CB48.631
27470177CB48.631
2751819CB47.81
2751919CB47.91
27531132CB47.801
2755790CB47.7511
276024CB51.9261
2760981CB48.1781
2761019CB47.7281
2762169CB62.97
2762457CB47.84101
2764522CB47.9811
27659118CB49.08831
2766341CB49.2561
2767681CB47.831
2768081CB47.91
2768867CB47.6891
2773791CB47.83001
2778341CB48.03171
27811133CB49.3931
2789441CB49.5061
2792569CB48.15001
2795313CB48.54631
2796954CB48.5941
27989239CB50.2961
2800257CB49.4789
2803797CB47.7271
2803894CB47.6991
28052128CB47.761831
2805255CB49.144041
28086112CB47.7791
30019122CB47.7581
3007516CB47.8411
3009814CB48.5581
30100133CB48.453
3013063CB47.7931
3013163CB47.7151
30331184CB48.0401
30332184CB48.3381
3034544CB48.429
3034544CB48.575
3053141CB49.109
3059036CB50.0311
3059076CB47.9941
30703123CB47.7311
3079010CB48.0821
3079136CB48.0481
3095641CB48.1351
3098563CB47.701
3102020CB47.96501
3105642CB47.71401
3402282CB47.724
3406749CB47.8631
34088168CB47.7031
34088168CB48.2821
3408872CB47.9821
3408888CB48.7211
3408888CB49.4731
3408929CB48.4811
3412168CB49.8711
3418585CB48.781
3421682CB48.492
3422561CB49.18001
3423453CB47.842
34352147CB47.841
3436242CB47.8151
3437643CB49.438
34461162CB48.0581
3447136CB48.181
3447237CB48.181
34492114CB49.2491
3463856CB50.034
34692130CB48.891
34717147CB48.6101
3475489CB48.0501
3481830CB48.841
3601367CB49.87501
3605136CB47.70001
3605236CB47.70001
3605336CB47.70001
3605436CB47.70001
3605536CB47.70001
3606041CB48.512
36061132CB48.1031
3607720CB48.3531
3607820CB48.3371
3610167CB49.87501
3616115CB48.64501
3616236CB47.88401
50010227CB48.2331
50011227CB48.2301
5001151CB50.4601
50022101CB62.384
50022170CB61.220
5009483CB47.7861
5015792CB48.201
50172147CB49.5561
50173116CB49.8921
50173147CB49.7371
5017351CB48.7101
50174147CB49.5561
50176147CB49.5561
50177147CB49.5561
5023560CB49.2441
50300155CB48.2311
50355104CB47.9461
5039840CB49.456
5040337CB48.460
5041420CB48.0821
5051733CB48.4461
50550146CB48.91
5069644CB49.130020651
507548CB48.7571
50783203CB48.00101
5094543CB47.8421
50946126CB49.6161
5095766CB47.9031
5100834CB48.049
5100934CB48.060
5102128CB48.1791
5110652CB47.9031
5111820CB48.0581
5112824CB49.161
5115996CB48.5051
5116546CB49.5001
5117941CB48.1222899112663
5118081CB47.83
5118081CB47.98
5118081CB48.7
512323CB48.13187
512333CB48.34699
51352133CB48.0441
5149028CB47.782009181
51631124CB49.1521
5163459CB47.876
5164935CB47.7121
51690581CB48.3141
5171311CB47.7601
5178165CB49.4721
5188536CB48.5471
51913266CB49.01
5204048CB47.8571
5214668CB47.75782491
5217161CB47.7501
5218727CB47.81
5229415CB47.8921

High-field shifts outside of three standard deviations from the average
Entry IDComp. index IDAtom IDChemical Shift ValueAmbiguity code
1580141CB36.31
406823CB27.311
4127108CB36.71
414424CB36.71
421717CB34.681
4252155CB36.61
42715CB32.6001
435330CB29.91
4431119CB36.71
443115CB34.81
443195CB34.81
457229CB35.61
463720CB35.01
46952CB32.51
497210CB30.261
49741CB33.1621
5161132CB36.331
517516CB30.881
528871CB34.41
528896CB35.61
531760CB30.41
532457CB36.1431
547154CB36.331
548594CB36.6671
5514137CB35.961
5547101CB36.21
5547224CB36.21
5547227CB36.21
554723CB36.21
5547232CB33.91
554773CB32.71
55478CB33.91
559222CB16.381
562799CB36.231
566329CB31.16
5678115CB36.161
5678139CB36.141
567820CB36.111
5752146CB36.6741
579276CB31.71
5929120CB34.91
6016315CB36.7471
6073119CB36.69
607374CB36.66
6080114CB36.0241
6080119CB35.8581
6240125CB36.43891
627897CB33.0001
6418185CB35.2651
6501106CB36.01
651978CB30.1921
653991CB29.6971
6549187CB34.54
658451CB32.8971
6586114CB33.6571
6586127CB34.2231
658623CB34.5071
658633CB32.8781
658639CB34.7191
658648CB33.6571
658655CB34.2941
658663CB33.4441
658680CB33.6571
658684CB35.6401
668368CB35.801
6685119CB34.5571
6821126CB35.874
682645CB33.2931
685013CB36.4561
699616CB36.71
701973CB36.7101
711562CB26.41
7130205CB36.2201
718472CB36.6441
720237CB30.81
724126CB36.271
725790CB33.0731
1103455CB29.3881
1108448CB35.9921
1112448CB36.7471
1112945CB36.3711
1113341CB35.7671
1114150CB36.5591
1117558CB36.3691
1124732CB36.6101
1125072CB35.4681
1145319CB32.8591
1145327CB28.9771
1145338CB29.1791
1145352CB31.1921
1159665CB33.3021
12009186CB30.2311
12040222CB31.1111
15008119CB35.1871
15070193CB36.411
1507073CB34.041
15071134CB36.391
1507173CB34.041
1510245CB29.7531
1516271CB29.701
1530448CB31.4201
15518195CB35.01
1554026CB36.691
1554078CB36.261
15643269CB36.6461
158209CB31.643
1587556CB18.6881
15912104CB34.161
1596637CB36.2451
16115127CB36.6271
16134101CB29.3791
1613568CB36.521
1616490CB35.8751
16237168CB25.031
1629967CB36.71
1633710CB25.29
16337143CB30.59
16337175CB28.04
16337244CB29.11
16337245CB34.11
16337260CB29.01
1662170CB36.5991
1670885CB36.41
1671230CB35.7891
1671330CB36.6621
16729150CB27.2121
16729178CB31.5551
16729198CB31.1561
16729214CB28.8091
16729240CB27.3211
16729261CB31.0491
16729308CB36.5871
16729326CB36.6941
16729334CB31.6771
1672948CB17.1611
1672978CB27.5071
1672987CB18.0431
1672997CB28.7161
16767112CB36.1371
1676740CB35.3841
1678731CB32.8611
16809102CB34.161
1685022CB33.3101
1685045CB31.6901
1685097CB29.4001
1688429CB36.11
1690269CB36.1411
16984272CB26.8801
1701020CB29.741
1702771CB34.8401
1714871CB33.1451
17231102CB34.471
1723177CB32.031
17251177CB36.0701
1725497CB34.1971
1728888CB35.9761
17289113CB35.7021
1741699CB35.9511
1745638CB36.6321
1752939CB35.3571
175431CB36.3951
1762660CB201
17632101CB36.2221
17640163CB18.87501
17660129CB35.6291
17660133CB36.3761
1769321CB28.8561
1778110CB36.3301
177828CB36.2821
1784690CB32.831
17975192CB34.98151
1800078CB36.341
18170148CB30.031
18178100CB35.9321
18182105CB35.7471
18183105CB35.6831
18373118CB36.1261
18373122CB35.7821
18373139CB36.6821
1837347CB35.8851
183736CB36.3821
18388140CB35.5121
18389140CB35.8721
1849460CB30.7631
18530114CB36.2351
1853054CB36.4911
1857842CB30.6041
18603196CB36.5221
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