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
ALAH103806-0.914131.258.1930.823198histogram
HA65619-2.5217.8704.2430.4391280histogram
HN18.328.328.320 histogram
MB63559-14.0405.481.3530.2751160histogram
C669470.037179157180.426691.7401histogram
CA9135517.007354.69853.1552.65695histogram
CB86808-40.993318.86819.0292.903216histogram
N996490.049766123.3645.725115histogram
ARGH683280.0111788.2390.99444histogram
HA447241.21212.574.2870.465538histogram
HB240378-4.7827.5301.7890.308523histogram
HB338128-2.88027.5301.7600.319548histogram
HD235366-6.445.03.1080.264697histogram
HD332217-0.69044.0923.0940.364390histogram
HE119341.150116.6617.4422.7197histogram
HG235993-1.454.21.5580.282663histogram
HG333371-1.2985.471.5400.297691histogram
HH1110034.4111.76.9310.56822histogram
HH127654.4110.7276.8780.53518histogram
HH218651.23311.3526.8260.64419histogram
HH227111.23360.14106.9062.0981histogram
C419680.174184.96176.4323.20514histogram
CA591368.369358.12456.7773.19366histogram
CB5484415.013329.12030.6712.408154histogram
CD3089318.9350342.64243.2012.80147histogram
CG306631.0328.29027.2532.90956histogram
CZ87243.199184.497160.0887.0139histogram
N640020.125433.808120.8404.581101histogram
NE7432-23.150149.108089.92213.49658histogram
NH13026.450124.789078.90313.5896histogram
NH226366.2128.47078.77013.9827histogram
ASNH564530.008118.6418.3541.92522histogram
HA367570.8967.1104.6590.359507histogram
HB234332-0.8278.8832.7990.334548histogram
HB333125-0.9485.9582.7430.357558histogram
HD21255700.687111.3207.3360.82653histogram
HD22252440.905111.3207.1440.842116histogram
C353790.114187.551175.2193.46921histogram
CA496312.200354.02253.5343.31136histogram
CB469101.9620342.79838.7123.36851histogram
CG29710.000185.503176.2278.77312histogram
N534220.041426.314118.9235.27841histogram
ND22213421.0381114.29112.87512.13212histogram
ASPH81248-0.3525.8768.2960.582683histogram
HA51540-3.758.664.5830.324756histogram
HB247863-5.237.42.7160.492102histogram
HB345902-1.4637.22.6660.500120histogram
HD2220.96812.305.6113.198 histogram
C519000.106184.14176.3663.37127histogram
CA714215.630354.53154.6772.61774histogram
CB674829.7341.27340.8792.435173histogram
CG11382.637188.215177.34517.46014histogram
N783800.061428.093120.7174.513120histogram
CYSH272893.72312.6608.3740.693163histogram
HA21284-9.85843.54.6770.94570histogram
HB220459-39.82363.5803.1206.07543histogram
HB319932-44.2363.5803.0445.50943histogram
HG294-1.83010.7002.0801.3866histogram
C131741.000187.591174.7503.31610histogram
CA1999730.668890.37457.9893.49424histogram
CB1901217.850111.00833.4726.66821histogram
N22096-147628120.34316.92082histogram
GLNH593100.000122.8248.2431.87523histogram
HA371360.0007.434.2630.428617histogram
HB233556-1.51410.4612.0430.273452histogram
HB331845-1.498020.92.0140.320381histogram
HE2123480-3.4123.8937.2230.499199histogram
HE22231970.000113.6957.0370.85335histogram
HG231211-1.7633.59902.3140.329372histogram
HG328876-1.39534.9462.2950.353411histogram
C382260.0691755.998176.3308.78816histogram
CA525381.733356.83056.5462.54053histogram
CB488351.843328.28629.1762.414163histogram
CD29696.789190.624179.3347.1757histogram
CG281092.097333.03233.8092.44644histogram
N571930.000418.059119.9854.411111histogram
NE22117833.9412.160111.8742.91370histogram
GLUH1050180.008123.22608.3290.800252histogram
HA671010.4338.024.2390.4091239histogram
HB260423-1.4704.822.0180.220871histogram
HB356787-1.6338.0951.9950.226823histogram
HE2390.80111.964.8201.8951histogram
HG255632-0.6744.692.2650.219934histogram
HG351751-0.104.692.2460.222835histogram
C680800.074184.71176.8434.06245histogram
CA922691.056360.82657.3223.12184histogram
CB860329.08330.83429.9932.974136histogram
CD12040.000198.609181.20513.6508histogram
CG503506.16337.23036.1422.83069histogram
N1015980.044422.043120.7424.501138histogram
GLYH102939-15.3121.8818.3270.813605histogram
H128.3738.6778.5250.215 histogram
HA264263-3.48.643.9590.3941043histogram
HA361001-3.93643.99303.8910.432870histogram
C650441.000189.533173.8283.55965histogram
CA910082.200344.99445.3682.105187histogram
N978110.2791109.6366.568260histogram
HISH28860-0.313.348.2530.723296histogram
HA192940.67611.384.6150.555240histogram
HB217914-2.16845.8973.1541.074132histogram
HB317354-6.238.53.0961.046140histogram
HD11104-1586.59.8498.26127histogram
HD212501-25.8567.87.1383.14790histogram
HE19813-26.6134.8117.8412.45071histogram
HE2422-1576.411.0807.59111histogram
C177761.000184.204175.1384.56516histogram
CA2552311.40355.08456.5033.27367histogram
CB2389413.496329.04630.3133.04670histogram
CD282437.19159.946119.9125.49059histogram
CE164608.198166.282137.2585.50662histogram
CG32718.669139.83131.4788.7583histogram
N272360.2427.146119.6845.09047histogram
ND189131.026261.013191.28833.3292histogram
NE280517.0257.572180.65919.98621histogram
ILEH707110.00811.8718.2570.690376histogram
HA45279-9.0173.5384.1620.9747histogram
HB42440-2.44238.7001.7850.390245histogram
HG1238404-10.15.561.2640.447303histogram
HG1336909-10.19.711.1960.478280histogram
MD43758-4.1513.8910.6740.325699histogram
MG40683-3.9196.230.7700.302646histogram
C451760187.551175.8364.26631histogram
CA6244520.877362.18461.6423.26566histogram
CB57899-34.477339.78538.5552.80098histogram
CD1398831.358314.60013.4903.311118histogram
CG1347608.0329.28827.7683.214168histogram
CG2370220.79317.61517.6013.142123histogram
N681610.0000531121.4345.876134histogram
LEUH117632-0.3119.5968.2170.724405histogram
H117.3407.3407.340 histogram
HA747370.000119.4114.3000.62782histogram
HB268399-1.8258.021.6080.359892histogram
HB365541-1.8251579.01.5486.1731histogram
HG59995-2.085.9651.5030.348747histogram
HN27.627.767.6900.099 histogram
MD170392-3.4230.1760.7470.3271118histogram
MD267806-3.4224.590.7290.383658histogram
C751430.071189.78177.0153.50432histogram
CA1036001.056158.32055.6542.211211histogram
CB962797.43993.18042.2221.987648histogram
CD1618710.438120.70024.6532.007234histogram
CD2591590.280116.30024.1312.082183histogram
CG532140.00075.28026.8051.461407histogram
N1129310.044627121.9417.369113histogram
LYSH994580.002123.70858.1911.52634histogram
HA64791-0.11832.6504.2560.451730histogram
HB258126-1.41610.941.7750.263952histogram
HB354675-3.0389.431.7480.279894histogram
HD246434-1.6800119.6201.6080.61836histogram
HD341705-2.0229.0471.5970.270603histogram
HE245758-0.49342.022.9110.280537histogram
HE340304-0.0467.3442.9040.220851histogram
HG252394-1.6548.3621.3640.2701052histogram
HG348347-1.835.5751.3490.2791009histogram
HZ57.6667.9897.8260.158 histogram
C608810.112996.253176.6325.34839histogram
CA846271.155359.22256.9513.06577histogram
CB78844-26.686332.98832.7672.775116histogram
CD427380.834329.28428.9972.53082histogram
CE41145-0.130342.33441.9272.90973histogram
CG4549212.109325.48724.9552.98998histogram
N935580.041427.245121.0534.758146histogram
NZ3481.950177.250.98333.1933histogram
QZ1792-10.910.5067.3511.01045histogram
METH27917-0.211778.2551.17723histogram
HA18494-0.93313.5654.4092.3231histogram
HB216505-27.31233.7502.0250.56393histogram
HB315505-27.31212.941.9960.506119histogram
HG215140-33.8632.72.3811.39749histogram
HG314299-33.8631.72.3561.50549histogram
ME11895-24.8610.20001.7861.47889histogram
C185332.200183.25176.2093.2087histogram
CA2606125.728385.32756.1312.27063histogram
CB240040.2332.17332.9533.06557histogram
CE108720.000317.64517.2394.01356histogram
CG131762.30332.68632.0673.09833histogram
N271790.000428.252120.1034.86646histogram
PHEH50134-0.512.3578.3320.730319histogram
HA319821.3359.704.6140.71229histogram
HB229725-0.4637.9792.9940.379405histogram
HB328958-0.21212.722.9360.397427histogram
HD1246990.60312.1547.0390.393245histogram
HD2209720.60312.1547.0400.405206histogram
HE121503-2.83814.0807.0650.443181histogram
HE218471012.97.0640.438168histogram
HZ14996-7.1443.6236.9950.700122histogram
C316130.088184.929175.4492.91812histogram
CA438294.917363.61858.1093.65840histogram
CB410192.161341.70039.9153.42053histogram
CD1149887.160148.7280131.2075.73571histogram
CD2105717.160140.309131.3434.39136histogram
CE1130210.000149.609130.3515.69262histogram
CE291817.307149.609130.5444.08736histogram
CG5117.229156.3137.45810.6164histogram
CZ96797.351165.611129.0394.09534histogram
N478120.067422.843120.3965.41470histogram
PROH87.8088.9958.3890.408 histogram
H258.0709.6738.7560.710 histogram
HA366020.636135.804.3860.77050histogram
HB233776-1.5015.632.0690.368594histogram
HB332753-3.486.101.9980.381609histogram
HD231106-6.567.673.6370.440461histogram
HD330000-6.568.3533.6030.460556histogram
HG230250-2.357.3951.9190.340722histogram
HG328090-1.5204.921.8950.350677histogram
C342630183.517176.6614.08431histogram
CA484080363.08763.3303.41189histogram
CB449350333.58631.8742.96178histogram
CD277071.155350.64850.3463.07166histogram
CG276492.436327.40227.2693.55544histogram
N28880.140430134.83821.39139histogram
SERH86423-15.3116.957098.2740.697385histogram
HA558611.27758.7394.4750.466517histogram
HB2509200.619.1823.8680.275804histogram
HB3471970.6141.73.8450.336559histogram
HG10630.1311.365.3961.17426histogram
HN17.917.917.910 histogram
C558680.000197.1174.5573.64041histogram
CA781274.331361.27858.6822.69287histogram
CB72240-939.2800365.08763.7244.617180histogram
N827440.000416.964116.2904.099291histogram
THRH764540.0221.78.2260.632654histogram
HA488560.877.4684.4480.476293histogram
HB445690.08771.5874.1690.63293histogram
HG11830-1.78311.015.1641.43033histogram
MG44599-12.116.31.1390.273577histogram
C482154.780185.918174.4613.91538histogram
CA671890.97192.65962.2052.726127histogram
CB62098-939.2800629.20669.6005.242170histogram
CG2383467.177175.621.5931.850127histogram
N732780.0402115.3686.10380histogram
TRPH165543.42117.3158.2620.783111histogram
HA107602.043172.5734.6891.7032histogram
HB2101300.425.353.1770.346152histogram
HB39841-0.37767.9723.1170.371153histogram
HD189651.88010.757.1290.360141histogram
HE110164-1.279131.71110.0991.38449histogram
HE377661.8512.2337.3030.514138histogram
HH277122.8410.9006.9570.447125histogram
HZ283812.6310.817.2690.404124histogram
HZ374840.768.8986.8540.46497histogram
C100102.500184.30176.0275.61512histogram
CA139842.966362.09957.7394.52514histogram
CB129071.6328.79530.0414.49123histogram
CD1574930.236183.141126.3514.31124histogram
CD21991.578155.174126.67814.7213histogram
CE227456.4176177.710137.3379.3506histogram
CE34804-10.872174.807120.2145.33329histogram
CG2844.174129.700110.2908.7314histogram
CH25079-6.333160.818123.5674.82322histogram
CZ254777.107159.041114.0754.43332histogram
CZ34828-8.702161.540121.1824.48922histogram
N152586.712423.160121.6125.75815histogram
NE183540.53435.960129.2786.00836histogram
TYRH431600.0212.348.2840.735221histogram
HA273960.4427.1604.6080.559227histogram
HB225432-21.23023.282.8990.457217histogram
HB324795-21.23023.282.8350.475260histogram
HD1218170.19010.56.9220.366259histogram
HD2187040.552210.4996.9180.370220histogram
HE1206680.0811.86.6910.303185histogram
HE2178280.4311.76.6920.312161histogram
HH496-0.788319.0522.0925histogram
C265082.200184.78175.4074.37622histogram
CA367302.200357.68158.1423.00528histogram
CB3402318.38338.68639.2752.99555histogram
CD11347319.40141.572132.3925.19869histogram
CD292413.492139.644132.4005.16252histogram
CE11322440.435182.764117.7493.930112histogram
CE2912634.1221154.10117.7903.21373histogram
CG4757.113175.115128.26912.4617histogram
CZ3456.839165.718155.85712.5553histogram
N405800.2818120.66611.04438histogram
VALH92870-0.4115.0508.2660.674439histogram
H118.0258.0258.025 histogram
HA59362-2.8354.9714.1650.622133histogram
HB55138-27.48031.751.9810.438435histogram
MG156209-27.224.200.8190.328650histogram
MG255320-27.256.560.8020.418312histogram
C600431205.699175.6493.27536histogram
CA82275-17.046362.05762.5033.149111histogram
CB7614415.597025331.74732.6972.216160histogram
CG150225-7.4321.18521.5322.33894histogram
CG248577-5.648320.42021.3462.43596histogram
N899990.2529121.1396.99599histogram