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
ALAH102791-0.914131.258.1930.825194histogram
HA65163-2.5217.8704.2430.4391274histogram
HN18.328.328.320 histogram
MB63128-14.0405.481.3530.2761142histogram
C663030.037187.2177.7533.56044histogram
CA9056017.007354.69853.1572.66194histogram
CB86046-40.993318.86819.0282.912216histogram
N987240.049766123.3625.743115histogram
ARGH678670.0111788.2390.99644histogram
HA444841.21212.574.2870.465536histogram
HB240185-4.7827.5301.7890.308523histogram
HB337975-2.88027.5301.7600.319546histogram
HD235203-6.445.03.1080.264695histogram
HD332084-0.69044.0923.0940.364389histogram
HE118761.150116.6617.4432.7257histogram
HG235833-1.454.21.5590.282662histogram
HG333240-1.2985.471.5410.297689histogram
HH1110014.4111.76.9320.56922histogram
HH127634.4110.7276.8790.53618histogram
HH218601.23311.3526.8280.64519histogram
HH227101.23360.14106.9062.0991histogram
C415860.174184.96176.4333.21514histogram
CA586878.369358.12456.7783.20066histogram
CB5441315.013329.12030.6712.412153histogram
CD3072318.9350342.64243.2002.80947histogram
CG304941.0328.29027.2522.91656histogram
CZ85943.199184.497160.0667.0359histogram
N635370.125433.808120.8394.588101histogram
NE7386-23.150149.108089.95413.53258histogram
NH13026.450124.789078.90313.5896histogram
NH226266.2128.47078.79614.0037histogram
ASNH560280.008118.6418.3541.93222histogram
HA365440.8967.1104.6600.360500histogram
HB234141-0.8278.8832.7990.334543histogram
HB332963-0.9485.9582.7440.355549histogram
HD21254410.687111.3207.3370.82753histogram
HD22251210.905111.3207.1440.843115histogram
C351170.114187.551175.2213.47921histogram
CA492982.200354.02253.5363.31935histogram
CB465991.9620342.79838.7153.37651histogram
CG29490.000185.503176.2218.80512histogram
N530530.041426.314118.9205.28641histogram
ND22206421.0381114.29112.87512.15112histogram
ASPH80599-0.3525.8768.2960.582676histogram
HA51197-3.758.664.5830.324750histogram
HB247566-5.237.42.7160.494100histogram
HB345657-1.4637.22.6660.501119histogram
HD2220.96812.305.6113.198 histogram
C514550.106184.14176.3673.38227histogram
CA708695.630354.53154.6782.62274histogram
CB669519.7341.27340.8792.440171histogram
CG11242.637188.215177.31917.56614histogram
N777720.061428.093120.7154.519120histogram
CYSH270653.72312.6608.3740.693163histogram
HA21165-9.85843.54.6770.94770histogram
HB220343-39.82363.5803.1216.09243histogram
HB319823-44.2363.5803.0455.52443histogram
HG293-1.83010.7002.0771.3876histogram
C130521.000187.591174.7523.32410histogram
CA1983330.668890.37457.9923.49224histogram
CB1885817.850111.00833.4606.66021histogram
N21894-147628120.34216.99382histogram
GLNH588230.000122.8248.2431.88223histogram
HA369130.0007.434.2630.428616histogram
HB233370-1.51410.4612.0430.273449histogram
HB331695-1.498020.92.0150.320380histogram
HE2123383-3.4123.8937.2230.499199histogram
HE22231020.000113.6957.0360.85435histogram
HG231053-1.7633.59902.3140.330370histogram
HG328763-1.39534.9462.2950.353409histogram
C378890.0691755.998176.3338.82516histogram
CA521301.733356.83056.5492.54353histogram
CB484491.843328.28629.1762.418160histogram
CD29446.789190.624179.3367.2047histogram
CG279672.097333.03233.8092.45244histogram
N567250.000418.059119.9794.418109histogram
NE22110633.9412.160111.8742.91670histogram
GLUH1041930.008123.22608.3290.802250histogram
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
C675240.074184.71176.8444.07545histogram
CA916201.056360.82657.3223.12783histogram
CB854079.08330.83429.9942.982136histogram
CD11970.000198.609181.20113.6898histogram
CG500856.16337.23036.1432.83669histogram
N1008300.044422.043120.7404.509138histogram
GLYH101893-15.3121.8818.3260.816594histogram
H128.3738.6778.5250.215 histogram
HA263815-3.48.643.9600.3951032histogram
HA360650-3.93643.99303.8910.432861histogram
C643981.000189.533173.8263.57465histogram
CA901622.200344.99445.3672.112185histogram
N968140.2791109.6386.594253histogram
HISH28657-0.313.348.2530.724295histogram
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
C176431.000184.204175.1484.42215histogram
CA2534511.40355.08456.5063.27966histogram
CB2373213.496329.04630.3133.05170histogram
CD281977.19159.946119.9105.50059histogram
CE164338.198166.282137.2585.51261histogram
CG32418.669139.83131.4588.7893histogram
N270380.2427.146119.6845.09847histogram
ND188531.026261.013191.53233.1642histogram
NE279217.0257.572180.85420.08321histogram
ILEH701730.00811.8718.2570.690368histogram
HA45023-9.0173.5384.1630.9767histogram
HB42228-2.44238.7001.7850.390245histogram
HG1238218-10.15.561.2630.447301histogram
HG1336754-10.19.711.1960.479272histogram
MD43505-4.1513.8910.6740.326697histogram
MG40488-3.9196.230.7700.302645histogram
C447610187.551175.8344.28231histogram
CA6193520.877362.18461.6413.26966histogram
CB57446-34.477339.78538.5562.80696histogram
CD1396451.358314.60013.4893.319117histogram
CG1345718.0329.28827.7693.219165histogram
CG2368210.79317.61517.6013.150121histogram
N676130.0000531121.4345.890133histogram
LEUH116782-0.3119.5968.2170.725396histogram
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
C744760.071189.78177.0153.51532histogram
CA1028021.056158.32055.6552.213210histogram
CB955427.43993.18042.2201.987639histogram
CD1615070.438120.70024.6542.010233histogram
CD2588140.280116.30024.1302.085183histogram
CG529500.00075.28026.8041.463404histogram
N1120890.044627121.9437.388113histogram
LYSH985650.002123.70858.1901.53234histogram
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
C603230.112996.253176.6335.37039histogram
CA839381.155359.22256.9533.07277histogram
CB78194-26.686332.98832.7682.783116histogram
CD425150.834329.28428.9962.53580histogram
CE40933-0.130342.33441.9272.91773histogram
CG4524012.109325.48724.9562.99798histogram
N927520.041427.245121.0474.765139histogram
NZ3481.950177.250.98333.1933histogram
QZ1790-10.910.5067.3511.01045histogram
METH27717-0.211778.2551.18022histogram
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
ME11847-24.8610.20001.7851.48189histogram
C183882.200183.25176.2103.2157histogram
CA2587625.728385.32756.1332.27163histogram
CB238300.2332.17332.9523.07157histogram
CE108320.000317.64517.2394.02056histogram
CG130982.30332.68632.0683.10733histogram
N269740.000428.252120.0974.87546histogram
PHEH49730-0.512.3578.3330.730319histogram
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
C313170.088184.929175.4512.92512histogram
CA434564.917363.61858.1123.66540histogram
CB406732.161341.70039.9163.43053histogram
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
N474220.067422.843120.3985.42370histogram
PROH87.8088.9958.3890.408 histogram
H258.0709.6738.7560.710 histogram
HA363730.636135.804.3860.77248histogram
HB233555-1.5015.632.0690.369589histogram
HB332547-3.486.101.9980.381605histogram
HD230906-6.567.673.6370.441458histogram
HD329816-6.568.3533.6030.461547histogram
HG230041-2.357.3951.9190.339723histogram
HG327939-1.5204.921.8960.349670histogram
C338860183.517176.6594.10431histogram
CA479230363.08763.3293.42587histogram
CB444900333.58631.8742.97478histogram
CD274941.155350.64850.3443.08263histogram
CG274402.436327.40227.2683.56844histogram
N28080.140430134.77821.67739histogram
SERH85641-15.3116.957098.2740.697381histogram
HA555181.27758.7394.4740.467502histogram
HB2506160.619.1823.8680.275797histogram
HB3469880.6141.73.8450.336555histogram
HG10630.1311.365.3961.17426histogram
HN17.917.917.910 histogram
C552730.000197.1174.5583.65641histogram
CA773574.331361.27858.6832.69887histogram
CB71556-939.2800365.08763.7234.637180histogram
N819600.000416.964116.2924.107284histogram
THRH757370.0221.78.2260.632653histogram
HA485250.877.4684.4480.476293histogram
HB442820.08771.5874.1700.63491histogram
HG11827-1.78311.015.1651.42833histogram
MG44311-12.116.31.1390.273576histogram
C477214.780185.918174.4633.93238histogram
CA665860.97192.65962.2042.730127histogram
CB61548-939.2800629.20669.5995.264170histogram
CG2380947.177175.621.5921.855126histogram
N726080.0402115.3626.11578histogram
TRPH164213.42117.3158.2620.783111histogram
HA106972.043172.5734.6881.7082histogram
HB2100750.425.353.1770.347151histogram
HB39788-0.37767.9723.1170.371153histogram
HD189151.88010.757.1280.360140histogram
HE110088-1.279131.71110.0981.38948histogram
HE377281.8512.2337.3020.514138histogram
HH276672.8410.9006.9580.447128histogram
HZ283332.6310.817.2700.404123histogram
HZ374440.768.8986.8540.46497histogram
C99132.500184.30176.0205.63912histogram
CA138652.966362.09957.7334.53914histogram
CB128061.6328.79530.0404.50623histogram
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
N151266.712423.160121.6155.77115histogram
NE182870.53435.960129.2716.02936histogram
TYRH427980.0212.348.2830.736220histogram
HA272420.4427.1604.6070.559225histogram
HB225292-21.23023.282.8990.458215histogram
HB324670-21.23023.282.8350.475258histogram
HD1217080.19010.56.9210.367257histogram
HD2186080.552210.4996.9180.370220histogram
HE1205620.0811.86.6910.303185histogram
HE2177340.4311.76.6920.313156histogram
HH490-0.788319.0232.0835histogram
C262702.200184.78175.4054.39122histogram
CA364242.200357.68158.1403.01027histogram
CB3375518.38338.68639.2753.00255histogram
CD11339319.40141.572132.3885.21369histogram
CD291853.492139.644132.3955.17752histogram
CE11314640.435182.764117.7483.941112histogram
CE2907234.1221154.10117.7903.22173histogram
CG4727.113175.115128.25812.4997histogram
CZ3426.839165.718155.84112.6083histogram
N402300.2818120.66911.08738histogram
VALH92015-0.4115.0508.2660.675433histogram
H118.0258.0258.025 histogram
HA59030-2.8354.9714.1650.622133histogram
HB54855-27.48031.751.9810.438430histogram
MG155883-27.224.200.8190.328642histogram
MG255000-27.256.560.8020.419309histogram
C594831205.699175.6503.28636histogram
CA81578-17.046362.05762.5073.152111histogram
CB7549415.597025331.74732.6952.220159histogram
CG149897-7.4321.18521.5342.34494histogram
CG248256-5.648320.42021.3462.44196histogram
N891550.2529121.1377.01699histogram