Statistics Calculated for Selected Chemical Shifts from Atoms in the 20 Common Amino Acids

BMRB Entries not included in the calculations for this table contained aromatic and/or paramagnetic ligand(s), or chemical shifts outside eight standard deviations from the average calculated for the full BMRB database, or a chemical shift for at least one carbon bound proton that was greater than 10ppm or was less than -2.5ppm. These criteria were used to eliminate from the calculations chemical shifts from paramagnetic proteins, from proteins with aromatic prosthetic groups, and from entries where unusual chemical shift referencing was used.

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Compound IDAtom NameNumber of ShiftsMinimum ShiftMaximum ShiftAverage ShiftStandard DeviationShift OutliersDistribution Histogram
ALAH766493.5313.92888.1920.577830histogram
HA490830.8706.5144.2390.4211471histogram
MB47172-0.8303.41061.3570.2441495histogram
C49948164.477187.2177.8332.040443histogram
CA6804639.92272.25253.1671.926356histogram
CB642966.60640.3218.9661.7541251histogram
N7325298.053142.81123.3363.440821histogram
ARGH510453.56612.698.2340.597499histogram
HA337181.2916.6184.2860.444672histogram
HB230288-0.6163.741.7960.256819histogram
HB328681-0.743.741.7650.268786histogram
HD2264931.0414.8493.1180.229947histogram
HD3241390.1514.6893.1020.259785histogram
HE82922.20111.887.3560.567451histogram
HG226981-0.7113.5101.5670.261801histogram
HG325076-0.7423.5101.5460.279799histogram
HH116715.6429.826.9000.43535histogram
HH125195.9208.766.8440.36126histogram
HH215764.8459.6636.8020.39837histogram
HH224715.9208.7766.7900.34939histogram
C31164167.44184.51176.5041.978156histogram
CA4398535.774.47756.7852.265150histogram
CB4071420.77543.39230.6351.773581histogram
CD2280627.12150.88243.1620.916632histogram
CG2263818.2249.390027.2171.192463histogram
CZ605113.281180.3159.8453.54853histogram
N47245102.427137.600120.8713.591433histogram
NE463567.0099.80884.5891.6241441histogram
NH113967.687.8274.2095.00339histogram
NH211969.25887.8372.7682.99945histogram
ASNH420772.61012.6758.3220.609636histogram
HA276582.0406.6004.6600.349563histogram
HB2256520.184.472.8030.307684histogram
HB324750-0.0744.7662.7500.325681histogram
HD21187232.069.7677.3300.477340histogram
HD22184812.5789.9867.1480.492391histogram
C26477166.8185.3000175.3141.749201histogram
CA3712341.19768.56353.5371.852261histogram
CB3501923.16457.3538.6941.638587histogram
CG2083111.6183.8176.7102.41814histogram
N39542101.712137.49118.9523.859297histogram
ND21600099.4134.500112.7512.242389histogram
ASPH598444.06212.688.2980.555809histogram
HA382392.1716.934.5820.308889histogram
HB235278-0.396.62.7110.259798histogram
HB333899-0.3624.582.6610.267769histogram
HD2104.575012.126.9662.812 histogram
C38220166.8182.955176.4461.674328histogram
CA5280941.11367.16654.6861.994222histogram
CB4976226.500858.5140.8731.574858histogram
CG68633.593186.5179.0295.85014histogram
N57557101.90143.52120.7203.726405histogram
CYSH211924.37912.6608.3820.671193histogram
HA168001.646.4484.6550.538206histogram
HB216098-0.4884.7152.9560.430471histogram
HB315714-0.834.772.8910.441471histogram
HG193-1.8308.4862.0981.3296histogram
C10020166.733187.591174.8712.02353histogram
CA1516341.51468.07458.0673.45824histogram
CB1440317.9963.8933.4446.52823histogram
N16465100.48138.678120.1044.389142histogram
GLNH441853.50512.2248.2160.565553histogram
HA281911.5676.44204.2570.418674histogram
HB225361-0.144.0252.0450.249560histogram
HB324168-0.5604.042.0160.262565histogram
HE21173413.399.9227.2250.441272histogram
HE22172473.599.797.0340.431323histogram
HG223550-0.2124.4402.3160.261647histogram
HG321848-0.4064.442.2960.277657histogram
C28530168.085185.308176.3671.884130histogram
CA3926243.45367.01656.5722.078132histogram
CB3662218.42543.64929.1591.760573histogram
CD2069171.365183.929179.7231.22274histogram
CG2106421.6451.08033.7901.084426histogram
N42372103.877139.55120.0153.483432histogram
NE21549292.49133.301111.8621.696436histogram
GLUH784024.24412.6928.3300.573977histogram
HA503551.3936.31504.2390.3991339histogram
HB2450540.3403.442.0210.2041071histogram
HB3424470.2853.4671.9980.2101014histogram
HE272.7276.693.9291.8871histogram
HG2413990.5283.772.2680.2061065histogram
HG3386650.4623.8322.2490.209974histogram
C51047166.8183.598176.9531.881337histogram
CA6921641.95571.1657.3232.057297histogram
CB6436318.35649.56029.9621.678992histogram
CD772173.41187.0182.3202.14251histogram
CG3733125.05954.82636.1131.176765histogram
N75741101.337138.6120.7733.402769histogram
GLYH758972.88112.228.3300.6181828histogram
H128.3738.6778.5250.215 histogram
HA2478080.8446.9833.9610.3621268histogram
HA3455370.6456.9833.8950.3621297histogram
C48126163.272187.394173.9061.790809histogram
CA6746233.14861.27645.3581.285884histogram
N7144393.604162.194109.5503.588981histogram
HISH209193.97012.3928.2470.664403histogram
HA141931.9298.94.6010.422490histogram
HB213103-0.0388.73.1030.349620histogram
HB312710-0.3878.73.0480.373608histogram
HD15892.7376.79.0236.42430histogram
HD290840.2649.4156.9990.469454histogram
HE171270.07510.88107.9480.562271histogram
HE22406.57316.539.4912.28126histogram
C13140166.900183.120175.2671.94082histogram
CA1882543.30871.1556.4892.287156histogram
CB1759518.74554.930.2572.092262histogram
CD26033110.516159.946120.2913.260130histogram
CE14676104.667144.756137.6032.29698histogram
CG182117.54139.557132.2573.0577histogram
N19608103.986136.48119.7494.024227histogram
ND1346162.040229.140193.34419.16076histogram
NE2364161.098226.759184.08316.77526histogram
ILEH529463.4211.8718.2590.674378histogram
HA342351.326.3624.1530.545188histogram
HB31935-1.2803.871.7870.287675histogram
HG1228750-2.122.8491.2740.393447histogram
HG1327651-2.3682.9901.2030.407420histogram
MD32555-1.4682.820.6820.2811035histogram
MG30453-1.4682.1980.7770.267980histogram
C33952166.4030187.551175.9681.875259histogram
CA4673339.56371.85661.6892.676116histogram
CB4328918.151.87638.5411.979380histogram
CD1293011.35831.91313.3921.641665histogram
CG1257668.76742.08727.7511.698410histogram
CG2273223.44837.00817.5221.317651histogram
N5050183.327138.12121.4214.169746histogram
LEUH878543.01213.2208.2140.625685histogram
HA565241.7216.4204.2950.451659histogram
HB251523-1.2524.12811.6110.3371004histogram
HB349426-1.7773.22601.5280.3581015histogram
HG44968-1.063.91.5120.329914histogram
MD152750-1.762.36400.7550.2721851histogram
MD250831-1.9222.3490.7350.2791724histogram
C56294166.222189.78177.1121.907422histogram
CA7744137.91667.88055.6942.102259histogram
CB7194526.455.54642.2271.819994histogram
CD14583810.94536.8524.6301.582504histogram
CD2438569.86032.51524.0981.671407histogram
CG3975215.300037.826.7801.0781125histogram
N8356484.655177.633121.8283.813553histogram
LYSH735562.74012.0318.1750.588909histogram
HA488350.686.254.2550.4221016histogram
HB243438-0.3363.8821.7790.2391173histogram
HB341120-0.4493.8821.7530.2581084histogram
HD234678-1.68003.191.6070.2071184histogram
HD331512-0.5343.1931.5990.2111047histogram
HE2342440.674.432.9130.1931196histogram
HE3304601.1714.5502.9080.1971063histogram
HG239122-0.773.1281.3690.2481281histogram
HG336366-0.8713.0461.3540.2621154histogram
C45657166.633185.000176.7511.893315histogram
CA6328640.72675.49656.9732.155233histogram
CB5886921.19246.60032.7551.741925histogram
CD3190815.36642.86828.9671.0901038histogram
CE3068922.66256.041.8930.8601066histogram
CG3393316.84540.5024.8981.1071025histogram
N68940101.1140.3121.0863.664580histogram
NZ10520.947.344432.9832.592121histogram
QZ13261.9499.907.4140.59663histogram
METH207864.86512.4568.2480.568191histogram
HA139341.1276.354.3870.456282histogram
HB212330-1.054.072.0280.322358histogram
HB311618-0.993.471.9940.333291histogram
HG211286-0.5284.4002.4200.355360histogram
HG310714-0.5284.2402.3950.372345histogram
ME8626-0.7138.3811.8880.381315histogram
C13841167.4183.159176.2822.03072histogram
CA1943943.28166.86056.1712.17974histogram
CB1787617.37046.4632.9092.134278histogram
CE79040.00048.4617.1231.730134histogram
CG972615.93751.732.0321.330194histogram
N20093102.804138.547120.0993.417210histogram
PHEH371113.54912.17598.3300.708325histogram
HA237211.336.8684.6070.556187histogram
HB2218940.1594.4613.0000.361442histogram
HB321398-0.2124.6902.9420.382465histogram
HD1181164.4698.65187.0580.309559histogram
HD2155254.4698.65187.0620.309479histogram
HE1157764.3788.417.0870.306509histogram
HE2136664.3788.417.0850.310445histogram
HZ108774.3248.94796.9970.413366histogram
C23367166.845184.929175.5001.945152histogram
CA3241536.03069.82158.1352.545115histogram
CB3023325.5256.73939.8962.033286histogram
CD110997116.948148.7280131.5831.246265histogram
CD27802115.549140.309131.5741.206185histogram
CE19584114.754139.560130.7291.305226histogram
CE26792114.7139.70130.7621.188156histogram
CG311127.24156.3138.2862.97813histogram
CZ7062115.100147.2589129.2421.477148histogram
N35066101.474139.02120.3714.090210histogram
PROH67.8088.9958.4660.452 histogram
HA273571.0448.0804.3870.321808histogram
HB225087-0.754.5902.0780.341706histogram
HB324376-0.7853.792.0040.351694histogram
HD2229170.485.3573.6520.344769histogram
HD3221340.105.3573.6200.372865histogram
HG222400-0.8014.4181.9280.303849histogram
HG320832-0.904.4181.9060.314815histogram
C25670168.381183.423176.7691.456371histogram
CA3611348.55772.2863.3461.493440histogram
CB3344120.91450.2531.8351.150876histogram
CD2033926.91866.22150.3461.044445histogram
CG2040618.280050.75327.2061.101485histogram
N1903110.492145.739135.4965.228307histogram
SERH647932.964013.138.2740.565908histogram
HA421991.2776.85304.4680.3941151histogram
HB2382911.665.4533.8710.252963histogram
HB3355531.1455.4533.8470.271900histogram
HG6890.138.975.3411.05833histogram
C41838164.470197.1174.6451.696466histogram
CA5851645.1373.67858.7132.049277histogram
CB5400331.40078.83463.8051.499876histogram
N6153495.97133.684116.3013.429694histogram
THRH566055.17311.8048.2250.608746histogram
HA364951.657.4684.4460.468317histogram
HB329100.928.3464.1660.320514histogram
HG11153-1.7839.1295.0921.29173histogram
MG32889-0.9733.281.1390.2111067histogram
C35843165.5185.319174.5721.697418histogram
CA4989440.73773.25462.2292.562156histogram
CB4597827.0981.52669.6951.709588histogram
CG22801311.736.17021.5491.096662histogram
N5394095.262141.606115.3264.691379histogram
TRPH119175.1611.758628.2600.758129histogram
HA76592.0436.5804.6560.508103histogram
HB271620.424.543.1880.335164histogram
HB369520.2574.4403.1240.361165histogram
HD163364.908.937.1380.334176histogram
HE172024.6913.49010.0850.638197histogram
HE355084.89107.3230.409198histogram
HH254454.3728.7976.9820.350211histogram
HZ258914.6558.59807.2870.315199histogram
HZ353123.8778.8986.8780.364173histogram
C7067168.169182.7176.2401.98050histogram
CA998943.50381.057.7392.50545histogram
CB919318.63352.329.9001.961106histogram
CD13951108.450135.599126.5791.839114histogram
CD2131120.000132.622128.0371.9206histogram
CE2153113.888177.710137.9926.34110histogram
CE3331093.343137.600120.5041.785106histogram
CG180102.53116.526110.9761.9208histogram
CH2351191.616131.540123.8051.52594histogram
CZ2375381.812134.7114.2681.406101histogram
CZ3335898.613138.390121.3791.57393histogram
N10779101.970138.113121.5474.014163histogram
NE15716106.0141.38129.2572.148162histogram
TYRH313864.15612.348.2850.720229histogram
HA201761.1886.8254.6000.546271histogram
HB218524-0.4944.72.9070.362407histogram
HB318080-0.1924.72.8460.382445histogram
HD1159124.6848.5386.9400.290486histogram
HD2138574.438.5386.9360.290425histogram
HE1151064.588.04006.7020.224436histogram
HE2132484.588.56.7030.225370histogram
HH268-0.78813.7489.0661.61910histogram
C19313167.860184.78175.5451.935138histogram
CA2679138.58269.5658.1852.48671histogram
CB2468825.32157.73239.2442.114203histogram
CD19648115.3141.572132.7231.375241histogram
CD26771113.003139.472132.7141.481145histogram
CE1953392.486137.420117.9501.339224histogram
CE26685106.548135.823117.9251.244133histogram
CG296117.7155.9129.7543.40912histogram
CZ190126.43160.45156.8272.6356histogram
N2911161.07144.96120.4484.062246histogram
VALH684702.5811512.5858.2670.658494histogram
HA444050.9726.2984.1590.566216histogram
HB40897-1.2403.7581.9860.310918histogram
MG141610-1.552.5730.8240.2601281histogram
MG240831-2.323.320.8060.2771202histogram
C44532165.654183.949175.7321.841314histogram
CA6085939.65477.14562.5592.831136histogram
CB5605717.20545.33132.6841.761380histogram
CG13669112.07132.2721.4961.357547histogram
CG23545611.37533.11821.3021.515453histogram
N6585093.758143.29121.0754.362777histogram