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
ALAH106699-0.914131.258.1950.893135histogramsecondary structure histogram
HA66413-2.5217.8704.2430.4391296histogramsecondary structure histogram
HN18.328.328.320 histogramsecondary structure histogram
MB64370-14.0405.481.3530.2751173histogramsecondary structure histogram
C690550.037187.2177.7453.50944histogramsecondary structure histogram
CA9409717.007354.69853.1442.63695histogramsecondary structure histogram
CB89351-40.993318.86819.0292.876218histogramsecondary structure histogram
N1025030.049766123.3755.682118histogramsecondary structure histogram
ARGH700750.0111788.2410.98648histogramsecondary structure histogram
HA452291.21212.574.2870.465545histogramsecondary structure histogram
HB240825-4.7827.5301.7890.307533histogramsecondary structure histogram
HB338554-2.88027.5301.7600.318555histogramsecondary structure histogram
HD235735-6.445.03.1080.263711histogramsecondary structure histogram
HD332535-0.69044.0923.0940.363393histogramsecondary structure histogram
HE120351.150116.6617.4412.7087histogramsecondary structure histogram
HG236375-1.454.21.5580.282670histogramsecondary structure histogram
HG333710-1.2985.471.5400.297701histogramsecondary 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
C431690.174184.96176.4283.17614histogramsecondary structure histogram
CA607608.369358.12456.7683.17166histogramsecondary structure histogram
CB5630015.013329.12030.6712.397157histogramsecondary structure histogram
CD3122118.9350342.64243.1992.78948histogramsecondary structure histogram
CG310170.000328.29027.2472.90358histogramsecondary structure histogram
CZ88143.199184.497160.0826.9799histogramsecondary structure histogram
N657110.125433.808120.8564.558110histogramsecondary structure histogram
NE7469-23.150149.108089.91513.48860histogramsecondary structure histogram
NH13046.450124.789078.86613.5526histogramsecondary structure histogram
NH226366.2128.47078.77013.9827histogramsecondary structure histogram
ASNH579740.008118.6418.3541.90231histogramsecondary structure histogram
HA371770.8967.1104.6590.360516histogramsecondary structure histogram
HB234717-0.8278.8832.7990.334554histogramsecondary structure histogram
HB333491-0.9485.9582.7430.357563histogramsecondary structure histogram
HD21257800.687111.3207.3350.82453histogramsecondary structure histogram
HD22254460.905111.3207.1450.839117histogramsecondary structure histogram
C364800.114187.551175.2183.42821histogramsecondary structure histogram
CA511262.200354.02253.5293.27637histogramsecondary structure histogram
CB482401.9620342.79838.7113.33454histogramsecondary structure histogram
CG30230.000185.503176.2358.69912histogramsecondary structure histogram
N549460.041426.314118.9305.23941histogramsecondary structure histogram
ND22230021.0381114.29112.87412.08912histogramsecondary structure histogram
ASPH83365-0.3525.8768.2960.580710histogramsecondary structure histogram
HA52147-3.758.664.5820.324764histogramsecondary structure histogram
HB248377-5.237.42.7160.491104histogramsecondary structure histogram
HB346385-1.4637.22.6660.498122histogramsecondary structure histogram
HD2220.96812.305.6113.198 histogramsecondary structure histogram
C533750.106184.14176.3623.40528histogramsecondary structure histogram
CA734275.630354.53154.6732.60281histogramsecondary structure histogram
CB692829.7341.27340.8802.419181histogramsecondary structure histogram
CG11592.637188.215177.39417.30614histogramsecondary structure histogram
N804700.061428.093120.7204.490126histogramsecondary structure histogram
CYSH278113.72312.6608.3730.693164histogramsecondary structure histogram
HA21558-9.85843.54.6770.94173histogramsecondary structure histogram
HB220695-39.82363.5803.1176.04143histogramsecondary structure histogram
HB320145-44.2363.5803.0425.48043histogramsecondary structure histogram
HG294-1.83010.7002.0801.3866histogramsecondary structure histogram
C134511.000187.591174.7413.29510histogramsecondary structure histogram
CA2041230.668890.37457.9823.49024histogramsecondary structure histogram
CB1939317.850111.00833.4676.66421histogramsecondary structure histogram
N22540-147628120.33916.76282histogramsecondary structure histogram
GLNH608200.000122.8248.2431.85323histogramsecondary structure histogram
HA375630.00029.9484.2640.467380histogramsecondary structure histogram
HB233909-1.51410.4612.0430.273455histogramsecondary structure histogram
HB332193-1.498020.92.0140.319384histogramsecondary structure histogram
HE2123682-3.4123.8937.2220.498199histogramsecondary structure histogram
HE22233860.000113.6957.0380.85136histogramsecondary structure histogram
HG231525-1.7633.59902.3140.329374histogramsecondary structure histogram
HG329169-1.39534.9462.2940.353417histogramsecondary structure histogram
C392970.0691755.998176.3238.67216histogramsecondary structure histogram
CA540061.733356.83056.5382.52653histogramsecondary structure histogram
CB501721.843328.28629.1762.398168histogramsecondary structure histogram
CD30076.789190.624179.3397.1307histogramsecondary structure histogram
CG284390.000333.03233.8072.44345histogramsecondary structure histogram
N586690.000418.059120.0044.388115histogramsecondary structure histogram
NE22131633.9412.160111.8762.90771histogramsecondary structure histogram
GLUH1075100.008123.22608.3300.795257histogramsecondary structure histogram
HA677900.4338.024.2390.4091249histogramsecondary structure histogram
HB261018-1.4704.822.0180.220874histogramsecondary structure histogram
HB357350-1.6338.0951.9950.226826histogramsecondary structure histogram
HE2390.80111.964.8201.8951histogramsecondary structure histogram
HG256110-0.6744.692.2650.219938histogramsecondary structure histogram
HG352169-0.104.692.2460.222837histogramsecondary structure histogram
C698870.074184.71176.8394.01946histogramsecondary structure histogram
CA946101.056360.82657.3133.09885histogramsecondary structure histogram
CB881469.08330.83429.9922.948139histogramsecondary structure histogram
CD12280.000198.609181.24213.5208histogramsecondary structure histogram
CG508376.16337.23036.1412.81870histogramsecondary structure histogram
N1040600.044422.043120.7524.476143histogramsecondary structure histogram
GLYH105696-15.3121.8818.3270.866472histogramsecondary structure histogram
H128.3738.6778.5250.215 histogramsecondary structure histogram
HA265135-3.48.643.9580.3971060histogramsecondary structure histogram
HA361754-3.93643.99303.8900.431880histogramsecondary structure histogram
C670701.000189.533173.8313.52165histogramsecondary structure histogram
CA936842.200344.99445.3662.088191histogramsecondary structure histogram
N1005170.2791109.6406.512286histogramsecondary structure histogram
HISH29571-0.3177.9918.2581.22240histogramsecondary structure histogram
HA194940.67611.384.6140.553243histogramsecondary structure histogram
HB218093-2.16845.8973.1531.069132histogramsecondary structure histogram
HB317528-6.238.53.0961.041140histogramsecondary structure histogram
HD11112-1586.59.8358.23327histogramsecondary structure histogram
HD212590-25.8567.87.1373.13690histogramsecondary structure histogram
HE19860-26.6134.8117.8422.44474histogramsecondary structure histogram
HE2423-1576.411.0717.58411histogramsecondary structure histogram
C182861.000184.204175.1374.51216histogramsecondary structure histogram
CA2624611.40355.08456.4953.24767histogramsecondary structure histogram
CB2452413.496329.04630.3143.02578histogramsecondary structure histogram
CD283067.19159.946119.9185.47859histogramsecondary structure histogram
CE164898.198166.282137.2585.49662histogramsecondary structure histogram
CG33118.669139.83131.4728.7083histogramsecondary structure histogram
N279490.2427.146119.6845.06247histogramsecondary structure histogram
ND189831.026261.013191.12033.5922histogramsecondary structure histogram
NE280817.0257.572180.61719.96221histogramsecondary structure histogram
ILEH723360.00811.8718.2560.688386histogramsecondary structure histogram
HA45723-9.0173.5384.1620.9717histogramsecondary structure histogram
HB42835-2.44238.7001.7850.389248histogramsecondary structure histogram
HG1238740-10.15.561.2640.446305histogramsecondary structure histogram
HG1337218-10.19.711.1960.478281histogramsecondary structure histogram
MD44293-4.1513.8910.6740.325705histogramsecondary structure histogram
MG41065-3.9196.230.7700.301659histogramsecondary structure histogram
C462670187.551175.8364.29132histogramsecondary structure histogram
CA6398220.877362.18461.6353.25067histogramsecondary structure histogram
CB59250-34.477339.78538.5552.786107histogramsecondary structure histogram
CD1404111.358314.60013.4883.294118histogramsecondary structure histogram
CG1351158.0329.28827.7643.203172histogramsecondary structure histogram
CG2373950.79317.61517.5983.129129histogramsecondary structure histogram
N697560.0000531121.4365.840136histogramsecondary structure histogram
LEUH120579-0.3119.5968.2170.722416histogramsecondary structure histogram
H117.3407.3407.340 histogramsecondary structure histogram
HA755640.000119.4114.3000.62683histogramsecondary structure histogram
HB269095-1.8258.021.6080.358897histogramsecondary structure histogram
HB366180-1.8251579.01.5496.1431histogramsecondary structure histogram
HG60528-2.085.9651.5030.348754histogramsecondary structure histogram
HN27.627.767.6900.099 histogramsecondary structure histogram
MD171211-3.4230.1760.7470.3271131histogramsecondary structure histogram
MD268587-3.4224.590.7290.382670histogramsecondary structure histogram
C771400.071189.78177.0153.47132histogramsecondary structure histogram
CA1063871.056158.32055.6492.207213histogramsecondary structure histogram
CB987507.43993.18042.2181.984678histogramsecondary structure histogram
CD1625960.438120.70024.6522.004239histogramsecondary structure histogram
CD2598180.280116.30024.1322.078185histogramsecondary structure histogram
CG537320.00075.28026.8051.458413histogramsecondary structure histogram
N1158110.044627121.9477.301114histogramsecondary structure histogram
LYSH1016910.002123.70858.1911.51235histogramsecondary structure histogram
HA65472-0.11833.3084.2560.465615histogramsecondary structure histogram
HB258683-1.41610.941.7750.263956histogramsecondary structure histogram
HB355151-3.0389.431.7480.278911histogramsecondary structure histogram
HD246884-1.6800119.6201.6080.61540histogramsecondary structure histogram
HD342048-2.0229.0471.5970.270608histogramsecondary structure histogram
HE246195-0.49342.022.9120.280544histogramsecondary structure histogram
HE340647-0.0467.3442.9040.220860histogramsecondary structure histogram
HG252874-1.6548.3621.3640.2701060histogramsecondary structure histogram
HG348771-1.835.5751.3490.2791016histogramsecondary structure histogram
HZ57.6667.9897.8260.158 histogramsecondary structure histogram
C623520.112996.253176.6305.29339histogramsecondary structure histogram
CA866891.155359.22256.9443.04879histogramsecondary structure histogram
CB80619-26.686332.98832.7662.758117histogramsecondary structure histogram
CD431310.834329.28428.9952.52183histogramsecondary structure histogram
CE41499-0.130342.33441.9272.89873histogramsecondary structure histogram
CG4591512.109325.48724.9532.97898histogramsecondary structure histogram
N957240.041427.245121.0624.738153histogramsecondary structure histogram
NZ3631.950177.250.60232.8913histogramsecondary structure histogram
QZ1827-10.910.5067.3481.00647histogramsecondary structure histogram
METH28598-0.211778.2571.16623histogramsecondary structure histogram
HA18678-0.93313.5654.4102.3121histogramsecondary structure histogram
HB216656-27.31233.7502.0250.56193histogramsecondary structure histogram
HB315642-27.31212.941.9960.505120histogramsecondary structure histogram
HG215260-33.8632.72.3821.39249histogramsecondary structure histogram
HG314410-33.8631.72.3561.49949histogramsecondary structure histogram
ME12041-24.8610.20001.7871.46989histogramsecondary structure histogram
C190382.200185.212176.2003.1807histogramsecondary structure histogram
CA2674725.728385.32756.1182.26764histogramsecondary structure histogram
CB246070.2332.17332.9533.04658histogramsecondary structure histogram
CE110000.000317.64517.2383.99256histogramsecondary structure histogram
CG132992.30332.68632.0653.08833histogramsecondary structure histogram
N278550.000428.252120.1194.83646histogramsecondary structure histogram
PHEH51451-0.512.3578.3300.729331histogramsecondary structure histogram
HA323461.3359.704.6130.71030histogramsecondary structure histogram
HB230055-0.4637.9792.9940.378406histogramsecondary structure histogram
HB329281-0.21212.722.9360.396432histogramsecondary structure histogram
HD1249050.60312.1547.0390.392246histogramsecondary structure histogram
HD2211520.60312.1547.0400.404206histogramsecondary structure histogram
HE121669-2.83814.0807.0650.442181histogramsecondary structure histogram
HE218627012.97.0640.437169histogramsecondary structure histogram
HZ15096-7.1443.6236.9950.699122histogramsecondary structure histogram
C325100.088184.929175.4482.89513histogramsecondary structure histogram
CA450674.917363.61858.1033.63143histogramsecondary structure histogram
CB420882.161341.70039.9113.39256histogramsecondary structure histogram
CD1151047.160148.7280131.2045.75673histogramsecondary structure histogram
CD2106497.160140.309131.3474.37536histogramsecondary structure histogram
CE1131080.000149.609130.3455.72964histogramsecondary structure histogram
CE292447.307149.609130.5444.08237histogramsecondary structure histogram
CG5247.229156.3137.47710.4864histogramsecondary structure histogram
CZ97327.351165.611129.0364.13535histogramsecondary structure histogram
N490900.067422.843120.3865.38371histogramsecondary structure histogram
PROH167.2649.5218.5430.592 histogramsecondary structure histogram
H258.0709.6738.7560.710 histogramsecondary structure histogram
HA370940.636135.804.3850.76751histogramsecondary structure histogram
HB234225-1.5015.632.0690.369609histogramsecondary structure histogram
HB333192-3.486.101.9970.380618histogramsecondary structure histogram
HD231460-6.567.673.6370.439462histogramsecondary structure histogram
HD330347-6.568.3533.6030.459560histogramsecondary structure histogram
HG230603-2.357.3951.9180.339737histogramsecondary structure histogram
HG328413-1.5204.921.8950.349683histogramsecondary structure histogram
C355080183.517176.6634.02031histogramsecondary structure histogram
CA499570363.08763.3263.37294histogramsecondary structure histogram
CB463610333.58631.8762.92780histogramsecondary structure histogram
CD280301.155350.64850.3433.05566histogramsecondary structure histogram
CG279962.436327.40227.2653.53644histogramsecondary structure histogram
N30110.140430134.82020.98939histogramsecondary structure histogram
SERH89006-15.3116.957098.2750.692395histogramsecondary structure histogram
HA565361.27758.7394.4740.465535histogramsecondary structure histogram
HB2514970.619.1823.8680.275808histogramsecondary structure histogram
HB3477240.6141.73.8450.335564histogramsecondary structure histogram
HG10870.1311.365.3861.17626histogramsecondary structure histogram
HN17.917.917.910 histogramsecondary structure histogram
C577170.000197.1174.5573.59441histogramsecondary structure histogram
CA806324.331656.50558.6803.39963histogramsecondary structure histogram
CB74456-939.2800365.08763.7254.557183histogramsecondary structure histogram
N852750.000416.964116.2964.072305histogramsecondary structure histogram
THRH785250.0221.78.2260.631685histogramsecondary structure histogram
HA494420.877.4684.4480.476296histogramsecondary structure histogram
HB450490.08771.5874.1690.63093histogramsecondary structure histogram
HG11864-1.78311.015.1481.44730histogramsecondary structure histogram
MG45082-12.116.31.1390.272594histogramsecondary structure histogram
C496164.780185.918174.4603.87038histogramsecondary structure histogram
CA691960.97192.65962.1962.716132histogramsecondary structure histogram
CB63817-939.2800629.20669.6045.181171histogramsecondary structure histogram
CG2388377.177175.621.5911.844127histogramsecondary structure histogram
N753400.0402115.3746.06682histogramsecondary structure histogram
TRPH169653.42117.3158.2640.783111histogramsecondary structure histogram
HA109162.043172.5734.6881.6932histogramsecondary structure histogram
HB2102700.425.353.1770.346156histogramsecondary structure histogram
HB39976-0.37767.9723.1180.371156histogramsecondary structure histogram
HD190631.88010.757.1280.360145histogramsecondary structure histogram
HE110306-1.279131.71110.0991.37850histogramsecondary structure histogram
HE378481.8512.2337.3030.513139histogramsecondary structure histogram
HH278002.8410.9006.9580.446131histogramsecondary structure histogram
HZ284742.6310.817.2690.403124histogramsecondary structure histogram
HZ375670.768.8986.8550.46297histogramsecondary structure histogram
C102522.500184.30176.0345.55612histogramsecondary structure histogram
CA143502.966362.09957.7384.48314histogramsecondary structure histogram
CB132101.6328.79530.0434.44923histogramsecondary structure histogram
CD1580030.236183.141126.3524.29324histogramsecondary structure histogram
CD21991.578155.174126.67814.7213histogramsecondary structure histogram
CE227456.4176177.710137.3379.3506histogramsecondary structure histogram
CE34844-10.872174.807120.2105.33030histogramsecondary structure histogram
CG2844.174129.700110.2908.7314histogramsecondary structure histogram
CH25128-6.333160.818123.5604.87823histogramsecondary structure histogram
CZ255287.107159.041114.0714.43233histogramsecondary structure histogram
CZ34872-8.702161.540121.1724.55723histogramsecondary structure histogram
N156296.712423.160121.6185.72015histogramsecondary structure histogram
NE184520.53435.960129.2755.97936histogramsecondary structure histogram
TYRH443020.0212.348.2840.734222histogramsecondary structure histogram
HA277520.4427.1604.6080.558230histogramsecondary structure histogram
HB225748-21.23023.282.8990.456219histogramsecondary structure histogram
HB325099-21.23023.282.8350.474268histogramsecondary structure histogram
HD1220480.19010.56.9220.365265histogramsecondary structure histogram
HD2189150.552210.4996.9190.369229histogramsecondary structure histogram
HE1208790.0811.86.6910.301188histogramsecondary structure histogram
HE2180270.4311.76.6910.311162histogramsecondary structure histogram
HH497-0.788319.0512.0905histogramsecondary structure histogram
C272372.200184.78175.4054.34023histogramsecondary structure histogram
CA377852.200357.68158.1282.99129histogramsecondary structure histogram
CB3492118.38338.68639.2752.97958histogramsecondary structure histogram
CD11361619.40141.572132.3915.20770histogramsecondary structure histogram
CD293453.492139.644132.4035.13554histogramsecondary structure histogram
CE11335240.435182.764117.7394.005113histogramsecondary structure histogram
CE2922034.1221154.10117.7883.19873histogramsecondary structure histogram
CG4807.113175.115128.26712.3967histogramsecondary structure histogram
CZ3506.839165.718155.87812.4663histogramsecondary structure histogram
N416750.2818120.66910.91838histogramsecondary structure histogram
VALH95056-0.4115.0508.2660.673446histogramsecondary structure histogram
H118.0258.0258.025 histogramsecondary structure histogram
HA59993-2.8354.9714.1650.621135histogramsecondary structure histogram
HB55712-27.48031.751.9810.437439histogramsecondary structure histogram
MG156820-27.224.200.8190.330646histogramsecondary structure histogram
MG255916-27.256.560.8020.417319histogramsecondary structure histogram
C614151205.699175.6453.25036histogramsecondary structure histogram
CA84362-17.046362.05762.4953.140116histogramsecondary structure histogram
CB7794815.597025331.74732.6942.207164histogramsecondary structure histogram
CG150842-7.4321.18521.5282.33094histogramsecondary structure histogram
CG249172-5.648320.42021.3442.42696histogramsecondary structure histogram
N921710.2529121.1406.940100histogramsecondary structure histogram