Statistics Calculated for All Chemical Shifts from Atoms in the 20 Common Amino Acids

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The statistics presented in this table were calculated from the full BMRB database. This includes paramagnetic proteins, proteins with aromatic prosthetic groups, and entries where chemical shifts are reported relative to uncommon chemical shift reference compounds. Shifts are considered outliers when they exceed three standard deviations from the average.

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Compound IDAtom NameNumber of ShiftsMinimum ShiftMaximum ShiftAverage ShiftStandard DeviationShift OutliersDistribution Histogram
ALAH99730-0.914131.258.1930.832186histogram
HA64207-2.5217.8704.2440.4401254histogram
MB62209-14.0405.481.3530.2761134histogram
C645960.037187.2177.7503.59444histogram
CA8810017.007354.69853.1582.67993histogram
CB83810-40.993318.86819.0342.938211histogram
N956540.049766123.3525.776110histogram
ARGH658340.0111788.2401.00644histogram
HA438711.21212.574.2870.465530histogram
HB239656-4.7827.5301.7900.307520histogram
HB337472-1.35027.5301.7600.318541histogram
HD234780-6.445.03.1080.265688histogram
HD331691-0.69044.0923.0940.365381histogram
HE117391.150116.6617.4442.7407histogram
HG235366-1.454.21.5580.283650histogram
HG332832-1.2985.471.5400.298680histogram
HH119914.4111.76.9340.57122histogram
HH127544.4110.7276.8810.53918histogram
HH218501.23311.3526.8290.64819histogram
HH227001.23360.14106.9092.1141histogram
C404820.174184.96176.4333.21413histogram
CA570808.369358.12456.7773.22363histogram
CB5300316.52329.12030.6732.427145histogram
CD3033018.9350342.64243.1992.82547histogram
CG300721.0328.29027.2522.93355histogram
CZ84343.199184.497160.0637.0879histogram
N615120.125433.808120.8264.62196histogram
NE7313-23.150149.108089.93913.52855histogram
NH12926.450124.789079.11113.7716histogram
NH225266.2128.47079.00014.2387histogram
ASNH542750.008118.6418.3561.95922histogram
HA360750.8967.1104.6600.361497histogram
HB233727-0.8278.8832.7990.333541histogram
HB332570-0.9485.8062.7440.355544histogram
HD21251860.687111.3207.3360.83052histogram
HD22248700.905111.3207.1450.846113histogram
C341810.114187.551175.2263.45420histogram
CA478742.200354.02253.5373.35434histogram
CB453351.9620342.79838.7153.41449histogram
CG29100.000185.503176.2028.85812histogram
N513030.041426.314118.9175.33940histogram
ND22184221.0381114.29112.87612.21112histogram
ASPH78259-0.3525.8768.2970.583654histogram
HA50514-3.758.664.5830.324740histogram
HB246970-5.237.42.7160.49697histogram
HB345098-1.4637.22.6660.503115histogram
HD2211.16012.305.8323.100 histogram
C500750.106184.14176.3683.39526histogram
CA689265.630354.53154.6792.63973histogram
CB652399.7341.27340.8802.458163histogram
CG11072.637188.215177.29117.69914histogram
N754270.061428.093120.7104.544115histogram
CYSH264313.72312.6608.3740.694160histogram
HA20828-9.85843.54.6770.95266histogram
HB220016-39.82363.5803.1256.14243histogram
HB319511-44.2363.5803.0475.56843histogram
HG286-1.83010.7002.0791.4016histogram
C127921.000187.591174.7583.34410histogram
CA1934630.668890.37457.9983.49724histogram
CB1841617.99111.00833.4556.64721histogram
N21316-147628120.36217.20882histogram
GLNH567400.000122.8248.2451.91323histogram
HA363820.0007.434.2630.429602histogram
HB232931-1.51410.4612.0430.273446histogram
HB331288-1.498020.92.0140.321378histogram
HE2123150-3.4123.8937.2220.500199histogram
HE22228720.000113.6957.0360.85734histogram
HG230646-1.7633.59902.3140.331366histogram
HG328403-1.39534.9462.2940.355402histogram
C367270.0691755.998176.3458.90413histogram
CA504101.733356.83056.5572.56152histogram
CB469901.843328.28629.1772.433152histogram
CD28816.789190.624179.3247.2777histogram
CG275902.097333.03233.8092.46544histogram
N546480.000418.059119.9624.459106histogram
NE22088633.9412.160111.8732.92569histogram
GLUH1011900.008122.98.3280.723410histogram
HA658610.4338.024.2400.4101196histogram
HB259362-1.4704.822.0180.221841histogram
HB355846-1.6338.0951.9950.227804histogram
HE2290.80111.965.0082.0781histogram
HG254658-0.6744.692.2640.220907histogram
HG350930-0.104.692.2460.222822histogram
C657540.074184.71176.8474.07441histogram
CA892281.056360.82657.3253.14781histogram
CB833369.08330.83429.9973.009133histogram
CD11720.000198.609181.18613.8318histogram
CG495156.16337.23036.1442.85069histogram
N978330.044422.043120.7354.540134histogram
GLYH98716-15.3121.8818.3270.746977histogram
H128.3738.6778.5250.215 histogram
HA263038-3.48.643.9600.3951026histogram
HA359934-3.93643.99303.8900.433849histogram
C627021.000189.533173.8463.24871histogram
CA876132.200344.99445.3702.129184histogram
N936440.2791109.6466.679248histogram
HISH27834-0.313.348.2540.726287histogram
HA189470.67611.384.6150.555236histogram
HB217607-2.16845.8973.1551.082132histogram
HB317077-6.238.53.0971.053140histogram
HD11076-1586.59.8728.36026histogram
HD212304-25.8567.87.1403.17290histogram
HE19678-26.6134.8117.8402.46669histogram
HE2399-1576.411.0677.79711histogram
C172121.000184.204175.1434.46715histogram
CA2469811.40355.08456.5063.29562histogram
CB2315913.496329.04630.3133.07569histogram
CD280937.19159.946119.9085.52659histogram
CE163508.198166.282137.2695.53358histogram
CG30418.669139.83131.4339.0643histogram
N262130.2427.146119.6865.13445histogram
ND186531.026261.013192.10932.7692histogram
NE277917.0257.572180.93020.23720histogram
ILEH682220.00811.8718.2590.690335histogram
HA44439-9.0173.5384.1640.9817histogram
HB41701-2.44238.7001.7840.391241histogram
HG1237760-10.15.561.2630.448297histogram
HG1336329-10.19.711.1960.480269histogram
MD42773-4.1513.8910.6730.327688histogram
MG39975-3.9196.230.7690.303632histogram
C436960187.551175.8344.28329histogram
CA6036020.877362.18461.6413.28265histogram
CB56115-34.477339.78538.5582.82493histogram
CD1389041.358314.60013.4943.342117histogram
CG1341018.0329.28827.7673.235157histogram
CG2362840.79317.61517.6013.169116histogram
N656210.0000531121.4415.911130histogram
LEUH113209-0.3119.5968.2170.728377histogram
HA733080.000119.4114.3010.63181histogram
HB267200-1.8008.021.6080.358875histogram
HB364434-1.791579.01.5486.2261histogram
HG59045-2.085.9651.5030.348729histogram
MD168998-3.4230.1760.7470.3281085histogram
MD266447-3.4224.590.7290.385644histogram
C726010.071189.78177.0163.50630histogram
CA999881.056158.32055.6582.218206histogram
CB931757.43993.18042.2231.991625histogram
CD1605790.438120.70024.6592.014226histogram
CD2579310.280116.30024.1332.091181histogram
CG523500.00075.28026.8041.468398histogram
N1084750.044627121.9367.435106histogram
LYSH956970.002123.70858.1921.55133histogram
HA63469-0.11832.6504.2560.452699histogram
HB256977-1.41610.941.7740.264934histogram
HB353706-3.0389.431.7480.280887histogram
HD245612-1.6800119.6201.6080.62335histogram
HD341058-2.0229.0471.5970.271596histogram
HE244951-0.49342.022.9110.282519histogram
HE339674-0.0467.3442.9040.220836histogram
HG251391-1.6548.3621.3640.2711039histogram
HG347519-1.835.5751.3490.280991histogram
C588380.112996.253176.6325.40738histogram
CA817021.155359.22256.9533.09577histogram
CB76240-26.686332.98832.7712.806111histogram
CD419850.834329.28428.9962.54880histogram
CE40452-0.130342.33441.9262.93373histogram
CG4463612.109325.48724.9563.01598histogram
N899020.041427.245121.0434.797128histogram
NZ3361.950177.250.31432.5873histogram
QZ1766-10.910.5067.3531.00744histogram
METH26881-0.211778.2541.19318histogram
HA18152-0.93313.5654.4092.3441histogram
HB216210-27.31233.7502.0250.56692histogram
HB315244-27.31212.941.9960.509117histogram
HG214869-33.8632.72.3801.40949histogram
HG314057-33.8631.72.3551.51749histogram
ME11711-24.8610.20001.7841.48989histogram
C179052.200183.25176.2163.1726histogram
CA2512625.728385.32756.1422.27459histogram
CB231810.2332.17332.9563.09356histogram
CE107000.000317.64517.2414.03955histogram
CG129252.30332.68632.0703.12533histogram
N261180.000428.252120.0854.91243histogram
PHEH48410-0.512.17598.3320.729298histogram
HA314321.3359.704.6150.71428histogram
HB229233-0.4637.9792.9930.379396histogram
HB328499-0.21212.722.9360.397422histogram
HD1243530.60312.1547.0390.394242histogram
HD2206610.60312.1547.0400.406205histogram
HE121221-2.83814.0807.0650.445180histogram
HE218213012.97.0630.440166histogram
HZ14792-7.1443.6236.9940.704122histogram
C305720.088184.929175.4522.94612histogram
CA423614.917363.61858.1143.69240histogram
CB397252.161341.70039.9213.45851histogram
CD1147417.160148.7280131.2005.78071histogram
CD2103787.160140.309131.3384.42735histogram
CE1128090.000149.609130.3435.73762histogram
CE290237.307149.609130.5394.11933histogram
CG4917.229156.3137.42310.8304histogram
CZ95237.351165.611129.0334.12134histogram
N460880.067422.843120.3875.37665histogram
PROH97.345069298.9958.2730.517 histogram
H258.0709.6738.7560.710 histogram
HA358740.636135.804.3860.77748histogram
HB233138-1.5015.632.0690.369583histogram
HB332149-3.486.101.9970.381599histogram
HD230523-6.567.673.6370.443455histogram
HD329453-6.568.3533.6030.462542histogram
HG229675-2.357.3951.9190.340709histogram
HG327616-1.5204.921.8950.349666histogram
C329640183.517176.6554.15531histogram
CA467390363.08763.3293.46186histogram
CB434670333.58631.8743.00577histogram
CD271101.155350.64850.3433.10263histogram
CG270612.436327.40227.2703.59144histogram
N26350.140430134.70622.35939histogram
SERH82761-15.3116.957098.2740.702367histogram
HA547541.27758.7394.4750.468490histogram
HB2499580.619.1823.8680.276782histogram
HB3464140.6141.73.8450.338550histogram
HG10380.1311.365.4031.18125histogram
C536640.000197.1174.5903.17637histogram
CA749964.331361.27858.6892.71780histogram
CB69497-939.2800365.08763.7274.691175histogram
N790520.000416.964116.2904.132250histogram
THRH734450.0221.78.2250.634627histogram
HA478690.877.4684.4490.477284histogram
HB437190.08771.5874.1690.63789histogram
HG11796-1.78311.015.1721.43032histogram
MG43716-12.116.31.1390.274561histogram
C464894.780185.918174.4673.84235histogram
CA647370.97192.65962.2072.738120histogram
CB59987-939.2800629.20669.5985.327170histogram
CG2375447.177175.621.5931.865124histogram
N703030.0402115.3616.13271histogram
TRPH159333.42117.3158.2650.781112histogram
HA105532.043172.5734.6901.7192histogram
HB299460.425.353.1770.347150histogram
HB39664-0.37767.9723.1170.372153histogram
HD188081.88010.757.1290.360138histogram
HE19941-1.279131.71110.0991.39747histogram
HE376311.8512.2337.3020.516137histogram
HH275732.8410.9006.9570.448122histogram
HZ282362.6310.817.2700.405123histogram
HZ373490.768.8986.8530.46495histogram
C96462.500184.30176.0215.70812histogram
CA135272.966362.09957.7344.58214histogram
CB125131.6328.79530.0434.54923histogram
CD1565830.236183.141126.3474.33823histogram
CD21951.578155.174127.16712.8412histogram
CE227156.4176177.710137.3149.3996histogram
CE34730-10.872174.807120.2135.37029histogram
CG2794.174129.700110.2838.8073histogram
CH24997-6.333160.818123.5654.85922histogram
CZ253907.107159.041114.0754.46532histogram
CZ34751-8.702161.540121.1834.51422histogram
N146476.712423.160121.6265.81014histogram
NE181810.53435.960129.2746.06535histogram
TYRH414730.0212.348.2870.735201histogram
HA269230.4427.1604.6090.560221histogram
HB225007-21.23023.282.8980.459213histogram
HB324408-21.23023.282.8350.476257histogram
HD1214880.19010.56.9210.368254histogram
HD2184180.552210.4996.9180.371219histogram
HE1203610.0811.86.6910.304182histogram
HE2175620.4311.76.6910.314155histogram
HH486-0.788319.0302.0675histogram
C255932.200184.78175.4004.44022histogram
CA354472.200357.68158.1413.02626histogram
CB3287018.38338.68639.2793.02454histogram
CD11324019.40141.572132.3805.24269histogram
CD290753.492139.644132.3895.20551histogram
CE11299940.435182.764117.7453.962112histogram
CE2895934.1221154.10117.7853.24173histogram
CG4667.113175.115128.23912.5757histogram
CZ3386.839165.718155.83312.6823histogram
N389140.2818120.69211.23337histogram
VALH89260-0.4115.0508.2660.676430histogram
H118.0258.0258.025 histogram
HA58247-2.8354.9714.1660.623132histogram
HB54160-27.48031.751.9810.440425histogram
MG155132-27.224.200.8190.329626histogram
MG254208-27.256.560.8020.421296histogram
C580031205.699175.6513.25533histogram
CA79377-17.046362.05762.5063.161110histogram
CB7357815.597025331.74732.6982.231156histogram
CG149138-7.4321.18521.5362.35594histogram
CG247508-5.648320.42021.3472.45195histogram
N863840.2529121.1367.04892histogram