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 HistogramSecondary structure histogram
ALAH106496-0.914131.258.1950.894135histogramsecondary structure histogram
HA66337-2.5217.8704.2430.4391294histogramsecondary structure histogram
HN18.328.328.320 histogramsecondary structure histogram
MB64296-14.0405.481.3530.2751172histogramsecondary structure histogram
C689070.037187.2177.7453.51244histogramsecondary structure histogram
CA9391217.007354.69853.1442.63895histogramsecondary structure histogram
CB89167-40.993318.86819.0292.878218histogramsecondary structure histogram
N1023200.049766123.3745.686118histogramsecondary structure histogram
ARGH699350.0111788.2410.98747histogramsecondary structure histogram
HA451841.21212.574.2870.464555histogramsecondary structure histogram
HB240775-4.7827.5301.7890.307533histogramsecondary structure histogram
HB338506-2.88027.5301.7600.318555histogramsecondary structure histogram
HD235692-6.445.03.1080.264704histogramsecondary structure histogram
HD332494-0.69044.0923.0940.363393histogramsecondary structure histogram
HE120201.150116.6617.4412.7107histogramsecondary structure histogram
HG236330-1.454.21.5580.282670histogramsecondary structure histogram
HG333669-1.2985.471.5410.297696histogramsecondary structure histogram
HH1110094.4111.76.9330.56722histogramsecondary structure histogram
HH127724.4110.7276.8810.53318histogramsecondary structure histogram
HH218661.23311.3526.8270.64319histogramsecondary structure histogram
HH227121.23360.14106.9072.0961histogramsecondary structure histogram
C430530.174184.96176.4283.17914histogramsecondary structure histogram
CA606298.369358.12456.7693.17366histogramsecondary structure histogram
CB5617215.013329.12030.6712.399157histogramsecondary structure histogram
CD3119918.9350342.64243.1992.79048histogramsecondary structure histogram
CG309960.000328.29027.2472.90458histogramsecondary structure histogram
CZ88143.199184.497160.0826.9799histogramsecondary structure histogram
N655840.125433.808120.8554.561110histogramsecondary structure histogram
NE7464-23.150149.108089.91913.49260histogramsecondary structure histogram
NH13046.450124.789078.86613.5526histogramsecondary structure histogram
NH226366.2128.47078.77013.9827histogramsecondary structure histogram
ASNH578050.008118.6418.3541.90431histogramsecondary structure histogram
HA371060.8967.1104.6590.360516histogramsecondary structure histogram
HB234645-0.8278.8832.7990.334554histogramsecondary structure histogram
HB333424-0.9485.9582.7430.357563histogramsecondary structure histogram
HD21257430.687111.3207.3350.82453histogramsecondary structure histogram
HD22254090.905111.3207.1440.840117histogramsecondary structure histogram
C363720.114187.551175.2173.43321histogramsecondary structure histogram
CA509732.200354.02253.5283.28037histogramsecondary structure histogram
CB480931.9620342.79838.7113.33854histogramsecondary structure histogram
CG30230.000185.503176.2358.69912histogramsecondary structure histogram
N548000.041426.314118.9305.24441histogramsecondary structure histogram
ND22228521.0381114.29112.87412.09312histogramsecondary structure histogram
ASPH83163-0.3525.8768.2960.581705histogramsecondary structure histogram
HA52078-3.758.664.5820.324763histogramsecondary structure histogram
HB248308-5.237.42.7160.491104histogramsecondary structure histogram
HB346339-1.4637.22.6660.498122histogramsecondary structure histogram
HD2220.96812.305.6113.198 histogramsecondary structure histogram
C532270.106184.14176.3623.40928histogramsecondary structure histogram
CA732415.630354.53154.6732.60480histogramsecondary structure histogram
CB690959.7341.27340.8792.421181histogramsecondary structure histogram
CG11592.637188.215177.39417.30614histogramsecondary structure histogram
N802910.061428.093120.7194.492126histogramsecondary structure histogram
CYSH277503.72312.6608.3730.693164histogramsecondary structure histogram
HA21516-9.85843.54.6770.94173histogramsecondary structure histogram
HB220653-39.82363.5803.1186.04743histogramsecondary structure histogram
HB320104-44.2363.5803.0435.48543histogramsecondary structure histogram
HG294-1.83010.7002.0801.3866histogramsecondary structure histogram
C134291.000187.591174.7423.29710histogramsecondary structure histogram
CA2038130.668890.37457.9813.49124histogramsecondary structure histogram
CB1936217.850111.00833.4726.66521histogramsecondary structure histogram
N22509-147628120.33916.77482histogramsecondary structure histogram
GLNH606700.000122.8248.2431.85523histogramsecondary structure histogram
HA375260.00029.9484.2640.467380histogramsecondary structure histogram
HB233873-1.51410.4612.0430.273455histogramsecondary structure histogram
HB332158-1.498020.92.0140.319384histogramsecondary structure histogram
HE2123663-3.4123.8937.2220.498199histogramsecondary structure histogram
HE22233670.000113.6957.0380.85136histogramsecondary structure histogram
HG231489-1.7633.59902.3140.329374histogramsecondary structure histogram
HG329137-1.39534.9462.2950.352412histogramsecondary structure histogram
C391950.0691755.998176.3238.68316histogramsecondary structure histogram
CA538641.733356.83056.5372.52853histogramsecondary structure histogram
CB500391.843328.28629.1762.400168histogramsecondary structure histogram
CD30076.789190.624179.3397.1307histogramsecondary structure histogram
CG284150.000333.03233.8072.44445histogramsecondary structure histogram
N585300.000418.059120.0024.391115histogramsecondary structure histogram
NE22130833.9412.160111.8752.90871histogramsecondary structure histogram
GLUH1072510.008123.22608.3300.796257histogramsecondary structure histogram
HA677100.4338.024.2390.4091248histogramsecondary structure histogram
HB260939-1.4704.822.0180.220873histogramsecondary structure histogram
HB357287-1.6338.0951.9950.226826histogramsecondary structure histogram
HE2390.80111.964.8201.8951histogramsecondary structure histogram
HG256031-0.6744.692.2650.219938histogramsecondary structure histogram
HG352116-0.104.692.2460.222837histogramsecondary structure histogram
C696750.074184.71176.8394.02446histogramsecondary structure histogram
CA943631.056360.82657.3143.10084histogramsecondary structure histogram
CB879019.08330.83429.9922.952139histogramsecondary structure histogram
CD12280.000198.609181.24213.5208histogramsecondary structure histogram
CG507846.16337.23036.1412.82070histogramsecondary structure histogram
N1038160.044422.043120.7504.479143histogramsecondary structure histogram
GLYH105478-15.3121.8818.3270.867469histogramsecondary structure histogram
H128.3738.6778.5250.215 histogramsecondary structure histogram
HA265018-3.48.643.9580.3971051histogramsecondary structure histogram
HA361687-3.93643.99303.8900.431877histogramsecondary structure histogram
C669151.000189.533173.8293.52465histogramsecondary structure histogram
CA935022.200344.99445.3662.090191histogramsecondary structure histogram
N1003390.2791109.6406.517285histogramsecondary structure histogram
HISH29525-0.3177.9918.2581.22340histogramsecondary structure histogram
HA194720.67611.384.6150.553244histogramsecondary structure histogram
HB218071-2.16845.8973.1531.070132histogramsecondary structure histogram
HB317506-6.238.53.0961.042140histogramsecondary structure histogram
HD11112-1586.59.8358.23327histogramsecondary structure histogram
HD212570-25.8567.87.1373.13990histogramsecondary structure histogram
HE19846-26.6134.8117.8412.44673histogramsecondary structure histogram
HE2423-1576.411.0717.58411histogramsecondary structure histogram
C182521.000184.204175.1364.51516histogramsecondary structure histogram
CA2620311.40355.08456.4953.24967histogramsecondary structure histogram
CB2448113.496329.04630.3143.02778histogramsecondary structure histogram
CD282967.19159.946119.9185.48159histogramsecondary structure histogram
CE164858.198166.282137.2585.49762histogramsecondary structure histogram
CG33118.669139.83131.4728.7083histogramsecondary structure histogram
N279130.2427.146119.6855.06347histogramsecondary structure histogram
ND189531.026261.013190.99033.5522histogramsecondary structure histogram
NE280517.0257.572180.65919.98621histogramsecondary structure histogram
ILEH721780.00811.8718.2570.688387histogramsecondary structure histogram
HA45667-9.0173.5384.1620.9717histogramsecondary structure histogram
HB42780-2.44238.7001.7850.389248histogramsecondary structure histogram
HG1238688-10.15.561.2640.446305histogramsecondary structure histogram
HG1337174-10.19.711.1960.478281histogramsecondary structure histogram
MD44213-4.1513.8910.6740.325704histogramsecondary structure histogram
MG41009-3.9196.230.7700.301658histogramsecondary structure histogram
C461480187.551175.8354.29532histogramsecondary structure histogram
CA6382720.877362.18461.6343.25267histogramsecondary structure histogram
CB59098-34.477339.78538.5562.789107histogramsecondary structure histogram
CD1403391.358314.60013.4883.297118histogramsecondary structure histogram
CG1350718.0329.28827.7643.205170histogramsecondary structure histogram
CG2373470.79317.61517.5983.131126histogramsecondary structure histogram
N696040.0000531121.4355.844136histogramsecondary structure histogram
LEUH120303-0.3119.5968.2180.722415histogramsecondary structure histogram
H117.3407.3407.340 histogramsecondary structure histogram
HA754730.000119.4114.3000.62683histogramsecondary structure histogram
HB269010-1.8258.021.6080.358897histogramsecondary structure histogram
HB366097-1.8251579.01.5496.1471histogramsecondary structure histogram
HG60449-2.085.9651.5030.348753histogramsecondary structure histogram
HN27.627.767.6900.099 histogramsecondary structure histogram
MD171067-3.4230.1760.7470.3271131histogramsecondary structure histogram
MD268445-3.4224.590.7290.382670histogramsecondary structure histogram
C769290.071189.78177.0133.47532histogramsecondary structure histogram
CA1061331.056158.32055.6482.208213histogramsecondary structure histogram
CB984987.43993.18042.2191.985677histogramsecondary structure histogram
CD1624900.438120.70024.6512.004238histogramsecondary structure histogram
CD2597190.280116.30024.1322.079185histogramsecondary structure histogram
CG536820.00075.28026.8051.458413histogramsecondary structure histogram
N1155560.044627121.9477.308114histogramsecondary structure histogram
LYSH1014710.002123.70858.1911.51335histogramsecondary structure histogram
HA65376-0.11833.3084.2560.465615histogramsecondary structure histogram
HB258587-1.41610.941.7750.263956histogramsecondary structure histogram
HB355065-3.0389.431.7480.278905histogramsecondary structure histogram
HD246803-1.6800119.6201.6080.61640histogramsecondary structure histogram
HD341995-2.0229.0471.5970.270608histogramsecondary structure histogram
HE246120-0.49342.022.9110.280543histogramsecondary structure histogram
HE340580-0.0467.3442.9040.220860histogramsecondary structure histogram
HG252783-1.6548.3621.3640.2701060histogramsecondary structure histogram
HG348692-1.835.5751.3490.2791016histogramsecondary structure histogram
HZ57.6667.9897.8260.158 histogramsecondary structure histogram
C622200.112996.253176.6305.29839histogramsecondary structure histogram
CA865081.155359.22256.9433.05078histogramsecondary structure histogram
CB80448-26.686332.98832.7662.760117histogramsecondary structure histogram
CD430950.834329.28428.9942.52283histogramsecondary structure histogram
CE41461-0.130342.33441.9272.90073histogramsecondary structure histogram
CG4587212.109325.48724.9532.97998histogramsecondary structure histogram
N955470.041427.245121.0624.740153histogramsecondary structure histogram
NZ3631.950177.250.60232.8913histogramsecondary structure histogram
QZ1826-10.910.5067.3481.00747histogramsecondary structure histogram
METH28510-0.211778.2571.16723histogramsecondary structure histogram
HA18663-0.93313.5654.4102.3131histogramsecondary structure histogram
HB216643-27.31233.7502.0250.56193histogramsecondary structure histogram
HB315633-27.31212.941.9960.505120histogramsecondary structure histogram
HG215249-33.8632.72.3821.39249histogramsecondary structure histogram
HG314402-33.8631.72.3571.50049histogramsecondary structure histogram
ME12036-24.8610.20001.7871.46989histogramsecondary structure histogram
C189782.200185.212176.2003.1847histogramsecondary structure histogram
CA2665825.728385.32756.1182.26764histogramsecondary structure histogram
CB245240.2332.17332.9533.05058histogramsecondary structure histogram
CE109970.000317.64517.2383.99256histogramsecondary structure histogram
CG132902.30332.68632.0653.08933histogramsecondary structure histogram
N277680.000428.252120.1164.84046histogramsecondary structure histogram
PHEH51351-0.512.3578.3300.729331histogramsecondary structure histogram
HA322951.3359.704.6140.71029histogramsecondary structure histogram
HB230004-0.4637.9792.9930.378406histogramsecondary structure histogram
HB329231-0.21212.722.9360.396432histogramsecondary structure histogram
HD1248580.60312.1547.0390.392246histogramsecondary structure histogram
HD2211130.60312.1547.0410.404206histogramsecondary structure histogram
HE121624-2.83814.0807.0650.442181histogramsecondary structure histogram
HE218588012.97.0640.437169histogramsecondary structure histogram
HZ15066-7.1443.6236.9960.699122histogramsecondary structure histogram
C324580.088184.929175.4482.89713histogramsecondary structure histogram
CA449954.917363.61858.1033.63342histogramsecondary structure histogram
CB420172.161341.70039.9123.39456histogramsecondary structure histogram
CD1150887.160148.7280131.2035.75973histogramsecondary structure histogram
CD2106457.160140.309131.3474.37636histogramsecondary structure histogram
CE1130920.000149.609130.3495.70863histogramsecondary structure histogram
CE292407.307149.609130.5434.08337histogramsecondary structure histogram
CG5247.229156.3137.47710.4864histogramsecondary structure histogram
CZ97197.351165.611129.0354.13835histogramsecondary structure histogram
N490200.067422.843120.3865.38671histogramsecondary structure histogram
PROH167.2649.5218.5430.592 histogramsecondary structure histogram
H258.0709.6738.7560.710 histogramsecondary structure histogram
HA370420.636135.804.3860.76751histogramsecondary structure histogram
HB234175-1.5015.632.0690.369609histogramsecondary structure histogram
HB333144-3.486.101.9980.380614histogramsecondary structure histogram
HD231422-6.567.673.6370.439462histogramsecondary structure histogram
HD330313-6.568.3533.6030.459560histogramsecondary structure histogram
HG230559-2.357.3951.9190.339734histogramsecondary structure histogram
HG328378-1.5204.921.8960.349682histogramsecondary structure histogram
C354090183.517176.6624.02531histogramsecondary structure histogram
CA498300363.08763.3263.37593histogramsecondary structure histogram
CB462340333.58631.8762.93180histogramsecondary structure histogram
CD280061.155350.64850.3433.05766histogramsecondary structure histogram
CG279692.436327.40227.2653.53844histogramsecondary structure histogram
N30110.140430134.82020.98939histogramsecondary structure histogram
SERH88811-15.3116.957098.2750.692395histogramsecondary structure histogram
HA564781.27758.7394.4740.466526histogramsecondary structure histogram
HB2514420.619.1823.8680.275808histogramsecondary structure histogram
HB3476770.6141.73.8450.335564histogramsecondary structure histogram
HG10850.1311.365.3871.17626histogramsecondary structure histogram
HN17.917.917.910 histogramsecondary structure histogram
C575680.000197.1174.5563.59841histogramsecondary structure histogram
CA804474.331656.50558.6803.40363histogramsecondary structure histogram
CB74273-939.2800365.08763.7244.562183histogramsecondary structure histogram
N850950.000416.964116.2954.075305histogramsecondary structure histogram
THRH783800.0221.78.2260.631685histogramsecondary structure histogram
HA494020.877.4684.4480.476296histogramsecondary structure histogram
HB450090.08771.5874.1690.63093histogramsecondary structure histogram
HG11859-1.78311.015.1491.44630histogramsecondary structure histogram
MG45042-12.116.31.1390.272594histogramsecondary structure histogram
C495074.780185.918174.4603.87438histogramsecondary structure histogram
CA690560.97192.65962.1952.717132histogramsecondary structure histogram
CB63680-939.2800629.20669.6045.186171histogramsecondary structure histogram
CG2388057.177175.621.5911.844127histogramsecondary structure histogram
N752000.0402115.3726.06982histogramsecondary structure histogram
TRPH169293.42117.3158.2640.783111histogramsecondary structure histogram
HA108962.043172.5734.6881.6942histogramsecondary structure histogram
HB2102510.425.353.1770.346156histogramsecondary structure histogram
HB39956-0.37767.9723.1180.371155histogramsecondary structure histogram
HD190431.88010.757.1280.360145histogramsecondary structure histogram
HE110286-1.279131.71110.0991.37949histogramsecondary structure histogram
HE378341.8512.2337.3020.513139histogramsecondary structure histogram
HH277822.8410.9006.9580.446131histogramsecondary structure histogram
HZ284542.6310.817.2690.403124histogramsecondary structure histogram
HZ375520.768.8986.8550.46297histogramsecondary structure histogram
C102392.500184.30176.0335.55912histogramsecondary structure histogram
CA143242.966362.09957.7384.48714histogramsecondary structure histogram
CB131871.6328.79530.0424.45223histogramsecondary structure histogram
CD1579130.236183.141126.3524.29624histogramsecondary structure histogram
CD21991.578155.174126.67814.7213histogramsecondary structure histogram
CE227456.4176177.710137.3379.3506histogramsecondary structure histogram
CE34840-10.872174.807120.2165.31429histogramsecondary structure histogram
CG2844.174129.700110.2908.7314histogramsecondary structure histogram
CH25120-6.333160.818123.5694.80522histogramsecondary structure histogram
CZ255197.107159.041114.0764.41732histogramsecondary structure histogram
CZ34866-8.702161.540121.1854.47522histogramsecondary structure histogram
N156036.712423.160121.6195.72315histogramsecondary structure histogram
NE184440.53435.960129.2755.98236histogramsecondary structure histogram
TYRH442080.0212.348.2840.734222histogramsecondary structure histogram
HA277080.4427.1604.6080.558230histogramsecondary structure histogram
HB225704-21.23023.282.8980.456219histogramsecondary structure histogram
HB325055-21.23023.282.8350.474266histogramsecondary structure histogram
HD1220040.19010.56.9220.365265histogramsecondary structure histogram
HD2188780.552210.4996.9190.369229histogramsecondary structure histogram
HE1208400.0811.86.6910.302186histogramsecondary structure histogram
HE2179930.4311.76.6910.311162histogramsecondary structure histogram
HH497-0.788319.0512.0905histogramsecondary structure histogram
C271862.200184.78175.4054.34323histogramsecondary structure histogram
CA377052.200357.68158.1282.99229histogramsecondary structure histogram
CB3484418.38338.68639.2762.98158histogramsecondary structure histogram
CD11359019.40141.572132.3895.21270histogramsecondary structure histogram
CD293293.492139.644132.4025.13953histogramsecondary structure histogram
CE11333040.435182.764117.7384.009113histogramsecondary structure histogram
CE2920734.1221154.10117.7883.20073histogramsecondary structure histogram
CG4807.113175.115128.26712.3967histogramsecondary structure histogram
CZ3506.839165.718155.87812.4663histogramsecondary structure histogram
N415960.2818120.67010.92838histogramsecondary structure histogram
VALH94922-0.4115.0508.2660.674444histogramsecondary structure histogram
H118.0258.0258.025 histogramsecondary structure histogram
HA59937-2.8354.9714.1650.621135histogramsecondary structure histogram
HB55656-27.48031.751.9810.437439histogramsecondary structure histogram
MG156755-27.224.200.8190.330646histogramsecondary structure histogram
MG255851-27.256.560.8020.417319histogramsecondary structure histogram
C613201205.699175.6453.25236histogramsecondary structure histogram
CA84237-17.046362.05762.4943.140116histogramsecondary structure histogram
CB7782515.597025331.74732.6942.209164histogramsecondary structure histogram
CG150792-7.4321.18521.5282.33194histogramsecondary structure histogram
CG249124-5.648320.42021.3442.42796histogramsecondary structure histogram
N920480.2529121.1406.944100histogramsecondary structure histogram