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
ALAH102849-0.914131.258.1930.825194histogram
HA65165-2.5217.8704.2430.4391274histogram
HN18.328.328.320 histogram
MB63130-14.0405.481.3530.2761142histogram
C663600.037187.2177.7533.55944histogram
CA9062017.007354.69853.1572.66194histogram
CB86104-40.993318.86819.0282.911216histogram
N987820.049766123.3625.742115histogram
ARGH679270.0111788.2390.99644histogram
HA444851.21212.574.2870.465536histogram
HB240186-4.7827.5301.7890.308523histogram
HB337976-2.88027.5301.7600.319546histogram
HD235204-6.445.03.1080.264695histogram
HD332085-0.69044.0923.0940.364389histogram
HE118761.150116.6617.4432.7257histogram
HG235834-1.454.21.5590.282662histogram
HG333241-1.2985.471.5410.297689histogram
HH1110014.4111.76.9320.56922histogram
HH127634.4110.7276.8790.53618histogram
HH218601.23311.3526.8280.64519histogram
HH227101.23360.14106.9062.0991histogram
C416480.174184.96176.4333.21414histogram
CA587498.369358.12456.7783.19966histogram
CB5447615.013329.12030.6702.412153histogram
CD3072418.9350342.64243.2002.80947histogram
CG304951.0328.29027.2522.91656histogram
CZ85943.199184.497160.0667.0359histogram
N635970.125433.808120.8394.587101histogram
NE7386-23.150149.108089.95413.53258histogram
NH13026.450124.789078.90313.5896histogram
NH226266.2128.47078.79614.0037histogram
ASNH560600.008118.6418.3541.93122histogram
HA365450.8967.1104.6600.360500histogram
HB234142-0.8278.8832.7990.334543histogram
HB332964-0.9485.9582.7440.355549histogram
HD21254420.687111.3207.3370.82753histogram
HD22251220.905111.3207.1440.843115histogram
C351490.114187.551175.2213.47821histogram
CA493312.200354.02253.5363.31835histogram
CB466321.9620342.79838.7143.37551histogram
CG29490.000185.503176.2218.80512histogram
N530850.041426.314118.9205.28541histogram
ND22206521.0381114.29112.87512.15112histogram
ASPH80640-0.3525.8768.2960.582677histogram
HA51197-3.758.664.5830.324750histogram
HB247566-5.237.42.7160.494100histogram
HB345657-1.4637.22.6660.501119histogram
HD2220.96812.305.6113.198 histogram
C514960.106184.14176.3673.38127histogram
CA709115.630354.53154.6782.62274histogram
CB669939.7341.27340.8792.440172histogram
CG11242.637188.215177.31917.56614histogram
N778130.061428.093120.7154.519120histogram
CYSH270873.72312.6608.3740.694160histogram
HA21171-9.85843.54.6770.94770histogram
HB220349-39.82363.5803.1216.09243histogram
HB319829-44.2363.5803.0455.52343histogram
HG293-1.83010.7002.0771.3876histogram
C130671.000187.591174.7503.32310histogram
CA1985430.668890.37457.9903.49124histogram
CB1887917.850111.00833.4596.65921histogram
N21915-147628120.34316.98582histogram
GLNH588520.000122.8248.2431.88123histogram
HA369140.0007.434.2630.428616histogram
HB233371-1.51410.4612.0430.273449histogram
HB331696-1.498020.92.0150.320380histogram
HE2123384-3.4123.8937.2230.499199histogram
HE22231030.000113.6957.0360.85435histogram
HG231054-1.7633.59902.3140.330370histogram
HG328764-1.39534.9462.2950.353409histogram
C379170.0691755.998176.3338.82216histogram
CA521601.733356.83056.5492.54353histogram
CB484771.843328.28629.1762.418160histogram
CD29446.789190.624179.3367.2047histogram
CG279682.097333.03233.8092.45144histogram
N567540.000418.059119.9794.417109histogram
NE22110733.9412.160111.8742.91670histogram
GLUH1042530.008123.22608.3290.802250histogram
HA667000.4338.024.2400.4091224histogram
HB260081-1.4704.822.0180.221855histogram
HB356516-1.6338.0951.9950.227816histogram
HE2390.80111.964.8201.8951histogram
HG255317-0.6744.692.2650.220918histogram
HG351516-0.104.692.2460.222833histogram
C675840.074184.71176.8444.07345histogram
CA916801.056360.82657.3233.12783histogram
CB854659.08330.83429.9932.981136histogram
CD11970.000198.609181.20113.6898histogram
CG500856.16337.23036.1432.83669histogram
N1008900.044422.043120.7404.508138histogram
GLYH101959-15.3121.8818.3260.815597histogram
H128.3738.6778.5250.215 histogram
HA263816-3.48.643.9600.3951032histogram
HA360651-3.93643.99303.8910.432861histogram
C644591.000189.533173.8273.57365histogram
CA902272.200344.99445.3672.111185histogram
N968800.2791109.6396.592254histogram
HISH28678-0.313.348.2530.723296histogram
HA191990.67611.384.6150.555240histogram
HB217834-2.16845.8973.1541.076132histogram
HB317292-6.238.53.0971.047140histogram
HD11100-1586.59.8578.27527histogram
HD212449-25.8567.87.1383.15490histogram
HE19783-26.6134.8117.8412.45470histogram
HE2412-1576.411.0717.68211histogram
C176651.000184.204175.1504.42015histogram
CA2536611.40355.08456.5073.27866histogram
CB2375313.496329.04630.3133.05070histogram
CD281977.19159.946119.9105.50059histogram
CE164338.198166.282137.2585.51261histogram
CG32418.669139.83131.4588.7893histogram
N270590.2427.146119.6835.09747histogram
ND188531.026261.013191.53233.1642histogram
NE279217.0257.572180.85420.08321histogram
ILEH702180.00811.8718.2570.690368histogram
HA45023-9.0173.5384.1630.9767histogram
HB42228-2.44238.7001.7850.390245histogram
HG1238218-10.15.561.2630.447301histogram
HG1336754-10.19.711.1960.479272histogram
MD43534-4.1513.8910.6740.326697histogram
MG40488-3.9196.230.7700.302645histogram
C448030187.551175.8344.28031histogram
CA6198020.877362.18461.6413.26866histogram
CB57491-34.477339.78538.5552.80596histogram
CD1396741.358314.60013.4893.318117histogram
CG1345718.0329.28827.7693.219165histogram
CG2368210.79317.61517.6013.150121histogram
N676580.0000531121.4345.889133histogram
LEUH116853-0.3119.5968.2170.725397histogram
H117.3407.3407.340 histogram
HA743200.000119.4114.3000.62882histogram
HB268058-1.8008.021.6080.358883histogram
HB365250-1.791579.01.5496.1871histogram
HG59697-2.085.9651.5030.348744histogram
HN27.627.767.6900.099 histogram
MD170013-3.4230.1760.7470.3271109histogram
MD267439-3.4224.590.7290.383656histogram
C745490.071189.78177.0163.51432histogram
CA1028741.056158.32055.6552.213210histogram
CB956157.43993.18042.2201.987639histogram
CD1615070.438120.70024.6542.010233histogram
CD2588140.280116.30024.1302.085183histogram
CG529500.00075.28026.8041.463404histogram
N1121600.044627121.9427.386113histogram
LYSH986100.002123.70858.1901.53234histogram
HA64368-0.11832.6504.2560.451725histogram
HB257761-1.41610.941.7750.264942histogram
HB354418-3.0389.431.7480.279894histogram
HD246155-1.6800119.6201.6080.62036histogram
HD341511-2.0229.0471.5970.271599histogram
HE245471-0.49342.022.9110.281524histogram
HE340103-0.0467.3442.9040.220843histogram
HG252072-1.6548.3621.3640.2711043histogram
HG348130-1.835.5751.3500.279999histogram
HZ57.6667.9897.8260.158 histogram
C603730.112996.253176.6335.36839histogram
CA839891.155359.22256.9533.07277histogram
CB78239-26.686332.98832.7682.782116histogram
CD425150.834329.28428.9962.53580histogram
CE40933-0.130342.33441.9272.91773histogram
CG4524012.109325.48724.9562.99798histogram
N927970.041427.245121.0474.764139histogram
NZ3481.950177.250.98333.1933histogram
QZ1790-10.910.5067.3511.01045histogram
METH27737-0.211778.2551.18022histogram
HA18405-0.93313.5654.4092.3291histogram
HB216423-27.31233.7502.0250.56492histogram
HB315440-27.31212.941.9960.507119histogram
HG215060-33.8632.72.3811.40149histogram
HG314233-33.8631.72.3561.50849histogram
ME11848-24.8610.20001.7851.48189histogram
C184072.200183.25176.2103.2147histogram
CA2589625.728385.32756.1332.27163histogram
CB238500.2332.17332.9523.07157histogram
CE108330.000317.64517.2394.02056histogram
CG130982.30332.68632.0683.10733histogram
N269940.000428.252120.0984.87546histogram
PHEH49755-0.512.3578.3330.730319histogram
HA317991.3359.704.6140.71329histogram
HB229559-0.4637.9792.9940.379400histogram
HB328810-0.21212.722.9370.396428histogram
HD1245820.60312.1547.0400.393244histogram
HD2208630.60312.1547.0410.405205histogram
HE121409-2.83814.0807.0650.444181histogram
HE218382012.97.0640.439167histogram
HZ14921-7.1443.6236.9950.702122histogram
C313420.088184.929175.4512.92412histogram
CA434804.917363.61858.1113.66540histogram
CB406972.161341.70039.9163.42953histogram
CD1149107.160148.7280131.2075.74971histogram
CD2105127.160140.309131.3444.40136histogram
CE1129610.000149.609130.3515.70562histogram
CE291337.307149.609130.5444.09636histogram
CG5117.229156.3137.45810.6164histogram
CZ96277.351165.611129.0354.10334histogram
N474470.067422.843120.3985.42370histogram
PROH87.8088.9958.3890.408 histogram
H258.0709.6738.7560.710 histogram
HA363780.636135.804.3860.77248histogram
HB233560-1.5015.632.0690.369589histogram
HB332552-3.486.101.9980.381605histogram
HD230911-6.567.673.6370.441458histogram
HD329821-6.568.3533.6030.461547histogram
HG230046-2.357.3951.9190.339723histogram
HG327944-1.5204.921.8960.349670histogram
C339210183.517176.6594.10231histogram
CA479610363.08763.3293.42487histogram
CB445270333.58631.8742.97378histogram
CD274991.155350.64850.3443.08263histogram
CG274452.436327.40227.2683.56844histogram
N28080.140430134.77821.67739histogram
SERH85694-15.3116.957098.2740.697381histogram
HA555191.27758.7394.4740.467502histogram
HB2506170.619.1823.8680.275797histogram
HB3469890.6141.73.8450.336555histogram
HG10630.1311.365.3961.17426histogram
HN17.917.917.910 histogram
C553280.000197.1174.5583.65441histogram
CA774194.331361.27858.6832.69787histogram
CB71610-939.2800365.08763.7234.635180histogram
N820130.000416.964116.2914.106284histogram
THRH757800.0221.78.2260.632653histogram
HA485250.877.4684.4480.476293histogram
HB442820.08771.5874.1700.63491histogram
HG11827-1.78311.015.1651.42833histogram
MG44311-12.116.31.1390.273576histogram
C477674.780185.918174.4633.93138histogram
CA666310.97192.65962.2042.730127histogram
CB61590-939.2800629.20669.5985.262170histogram
CG2380947.177175.621.5921.855126histogram
N726510.0402115.3626.11578histogram
TRPH164253.42117.3158.2620.783111histogram
HA106972.043172.5734.6881.7082histogram
HB2100750.425.353.1770.347151histogram
HB39788-0.37767.9723.1170.371153histogram
HD189151.88010.757.1280.360140histogram
HE110090-1.279131.71110.0981.38948histogram
HE377281.8512.2337.3020.514138histogram
HH276672.8410.9006.9580.447128histogram
HZ283332.6310.817.2700.404123histogram
HZ374440.768.8986.8540.46497histogram
C99172.500184.30176.0205.63812histogram
CA138692.966362.09957.7334.53914histogram
CB128101.6328.79530.0394.50623histogram
CD1571130.236183.141126.3504.32123histogram
CD21991.578155.174126.67814.7213histogram
CE227356.4176177.710137.3289.3666histogram
CE34778-10.872174.807120.2165.34529histogram
CG2834.174129.700110.2988.7464histogram
CH25046-6.333160.818123.5664.83722histogram
CZ254407.107159.041114.0764.44632histogram
CZ34800-8.702161.540121.1864.49322histogram
N151306.712423.160121.6165.77115histogram
NE182890.53435.960129.2726.02836histogram
TYRH428290.0212.348.2830.736220histogram
HA272450.4427.1604.6070.559225histogram
HB225295-21.23023.282.8990.458215histogram
HB324673-21.23023.282.8350.475258histogram
HD1217110.19010.56.9210.367257histogram
HD2186110.552210.4996.9180.371220histogram
HE1205650.0811.86.6910.303185histogram
HE2177370.4311.76.6920.313156histogram
HH490-0.788319.0232.0835histogram
C262992.200184.78175.4054.38922histogram
CA364552.200357.68158.1403.00928histogram
CB3378518.38338.68639.2743.00155histogram
CD11339419.40141.572132.3885.21369histogram
CD291873.492139.644132.3955.17752histogram
CE11314740.435182.764117.7483.941112histogram
CE2907434.1221154.10117.7903.22173histogram
CG4727.113175.115128.25812.4997histogram
CZ3426.839165.718155.84112.6083histogram
N402610.2818120.66911.08338histogram
VALH92075-0.4115.0508.2660.674435histogram
H118.0258.0258.025 histogram
HA59032-2.8354.9714.1650.622133histogram
HB54857-27.48031.751.9810.438430histogram
MG155885-27.224.200.8190.328642histogram
MG255002-27.256.560.8020.419309histogram
C595391205.699175.6503.28536histogram
CA81638-17.046362.05762.5063.152111histogram
CB7555515.597025331.74732.6942.219159histogram
CG149899-7.4321.18521.5342.34494histogram
CG248258-5.648320.42021.3462.44096histogram
N892150.2529121.1377.01599histogram