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

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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
ALAH828773.5313.92888.1930.574900histogram
HA513030.8706.5144.2380.4191554histogram
MB49265-0.8303.41061.3580.2431548histogram
C53905164.477187.2177.8292.031468histogram
CA7330235.7772.25253.1551.927378histogram
CB691366.60640.3218.9531.7461347histogram
N7939598.053142.81123.3623.427860histogram
ARGH549723.56612.698.2340.596527histogram
HA351721.2916.6184.2850.443702histogram
HB231530-0.6113.741.7960.255863histogram
HB329809-0.743.741.7660.267816histogram
HD2274941.0414.8493.1180.228973histogram
HD3250230.1994.6893.1030.256823histogram
HE85782.20111.887.3570.564471histogram
HG228028-0.6883.5101.5670.260829histogram
HG325996-0.7423.5101.5470.278819histogram
HH116915.6429.826.8950.43137histogram
HH125365.9208.766.8430.35827histogram
HH215964.8459.6636.8060.39737histogram
HH224905.9208.7766.7950.35040histogram
C33679167.086184.51176.5001.969174histogram
CA4734235.774.47756.7812.262160histogram
CB4371320.77544.32830.6271.767617histogram
CD2374627.12151.42243.1640.914654histogram
CG2360718.2249.390027.2191.194484histogram
CZ634113.281180.3159.8693.57354histogram
N51132102.427137.600120.8883.581468histogram
NE477767.0099.80884.5971.6101473histogram
NH115067.687.8274.0994.84139histogram
NH212969.25887.8372.8372.91245histogram
ASNH453422.61012.6758.3220.607696histogram
HA287582.0406.6004.6590.348578histogram
HB2266290.184.472.8030.307710histogram
HB325687-0.0744.7662.7500.325702histogram
HD21193402.069.7677.3310.475351histogram
HD22190742.5789.9867.1470.490399histogram
C28523166.8187.551175.3031.745217histogram
CA3991041.19768.56353.5261.846278histogram
CB3758023.16457.3538.6861.628640histogram
CG2190111.6183.8176.7112.40015histogram
N42756101.712137.49118.9643.836305histogram
ND21649899.4134.500112.7472.231402histogram
ASPH642914.06212.688.2950.553852histogram
HA397162.1716.934.5820.307917histogram
HB236571-0.396.62.7110.260818histogram
HB335110-0.3624.582.6610.267792histogram
HD2110.96812.126.4213.223 histogram
C41200166.8182.955176.4341.674357histogram
CA5669141.11367.16654.6741.992226histogram
CB5330826.500858.5140.8631.575899histogram
CG748169.68186.5179.1911.86139histogram
N6197198.471143.52120.7363.720432histogram
CYSH224054.37912.6608.3810.671194histogram
HA174311.646.4484.6550.536208histogram
HB216701-0.4884.7152.9560.428487histogram
HB316286-0.834.772.8930.438488histogram
HG220-1.8308.4862.0831.2719histogram
C10632166.733187.591174.8352.02856histogram
CA1613741.51468.07458.0373.45024histogram
CB1528717.9963.8933.4416.55223histogram
N17576100.48138.678120.0864.368146histogram
GLNH483633.50512.2248.2170.560593histogram
HA294391.5677.344.2570.416708histogram
HB226398-0.144.0252.0450.247589histogram
HB325105-0.5204.042.0160.260586histogram
HE21180053.399.9227.2300.439277histogram
HE22177563.599.797.0340.431337histogram
HG224445-0.2124.4402.3160.259659histogram
HG322610-0.4064.442.2960.275682histogram
C31337166.539185.308176.3611.872143histogram
CA4291643.45367.01656.5532.068142histogram
CB3965018.42543.64929.1491.746623histogram
CD2213171.365183.929179.7101.25475histogram
CG2193521.6451.0833.7921.081436histogram
N46494103.877139.55120.0483.447471histogram
NE21609692.49133.301111.8691.683451histogram
GLUH842494.21512.6928.3290.5711045histogram
HA523661.3936.31504.2380.3981384histogram
HB2467220.3403.442.0220.2041100histogram
HB3439610.2853.4671.9980.2091068histogram
HE2172.7277.3764.1321.4471histogram
HG2428390.5283.772.2690.2051120histogram
HG3399550.4763.8322.2500.2091003histogram
C54918166.8183.598176.9431.878364histogram
CA7415641.95571.1657.3132.056313histogram
CB6881218.35649.56029.9511.6691048histogram
CD848173.41187.0182.1852.30159histogram
CG3872325.05954.82636.1141.174801histogram
N81504101.337138.6120.7883.389812histogram
GLYH821302.88112.228.3290.6141960histogram
H128.3738.6778.5250.215 histogram
HA2498110.8446.9833.9600.3601312histogram
HA3473450.6456.9833.8950.3611338histogram
C52061145.321187.394173.9021.786865histogram
CA7281433.14861.27645.3491.281946histogram
N7763491.124162.194109.5423.5551048histogram
HISH226433.13912.3928.2450.665412histogram
HA147681.9298.94.6010.424499histogram
HB213615-0.0388.73.1040.349634histogram
HB313167-0.3878.73.0480.371615histogram
HD16102.7374.88.9165.70230histogram
HD293480.2649.4157.0000.464460histogram
HE173250.07510.88107.9510.560273histogram
HE22546.03716.539.5632.30022histogram
C14106166.900183.120175.2631.93785histogram
CA2014243.3088256.4822.295158histogram
CB1878118.74546.97830.2492.077276histogram
CD26245110.516159.946120.2833.246137histogram
CE14847104.667144.756137.5912.30698histogram
CG217117.54139.557132.2712.9887histogram
N21322103.986136.48119.7384.026248histogram
ND1370162.040229.140193.19218.683101histogram
NE2384161.098226.759183.80516.43626histogram
ILEH565673.34411.8718.2570.673425histogram
HA355251.326.3624.1520.545192histogram
HB33097-1.2803.871.7880.286703histogram
HG1229718-2.122.8491.2750.392462histogram
HG1328562-2.3682.9901.2040.405437histogram
MD34099-1.4682.820.6830.2791083histogram
MG31510-1.4682.1980.7780.2661002histogram
C36286166.4030187.551175.9681.869279histogram
CA4988739.56371.85661.6852.676120histogram
CB4610118.151.87638.5311.972412histogram
CD1309061.35831.91313.3901.635693histogram
CG1268138.76742.08727.7601.692423histogram
CG2284933.44837.00817.5201.309672histogram
N5417083.327138.12121.4144.165780histogram
LEUH946503.01213.2208.2140.627749histogram
H117.3407.3407.340 histogram
HA588881.7216.4204.2940.450685histogram
HB253565-1.2524.12811.6110.3361056histogram
HB351320-1.7773.22601.5290.3571050histogram
HG46493-1.063.91.5120.329950histogram
MD155092-1.762.36400.7550.2721914histogram
MD253119-1.9222.3490.7360.2781809histogram
C60496166.222189.78177.1111.903456histogram
CA8316542.68667.88055.6842.098268histogram
CB7693926.453.7042.2141.8121056histogram
CD14801010.94536.8524.6221.582524histogram
CD2459639.86032.51524.0991.668425histogram
CG4118515.300037.826.7821.0721166histogram
N9030184.655177.633121.8373.807584histogram
LYSH793523.25812.0318.1750.584966histogram
HA508500.686.254.2540.4201063histogram
HB245186-0.3003.8821.7790.2381205histogram
HB342670-0.4493.8821.7530.2561122histogram
HD235935-1.68003.191.6080.2061213histogram
HD332585-0.5673.1931.6000.2101077histogram
HE2355070.674.432.9140.1921225histogram
HE3315081.1714.5502.9080.1961090histogram
HG240594-0.773.1281.3700.2471315histogram
HG337672-0.8713.0461.3540.2621170histogram
C49067166.633185.000176.7371.895334histogram
CA6801040.72675.49656.9632.150241histogram
CB6311415.9546.60032.7421.736994histogram
CD3309815.36642.86828.9671.0861080histogram
CE3178322.66256.041.8960.8601093histogram
CG3526916.84540.5024.8981.1041058histogram
N74554101.1140.3121.1043.658626histogram
NZ11320.947.344433.0842.765127histogram
QZ14121.3209.907.4150.60163histogram
METH224084.86512.4568.2480.570211histogram
HA145101.1276.354.3880.455295histogram
HB212817-1.054.072.0300.321367histogram
HB312049-0.993.471.9950.331301histogram
HG211696-0.5284.4002.4220.354368histogram
HG311083-0.5284.2402.3970.370353histogram
ME9069-0.7138.3811.8900.376328histogram
C14936165.891183.159176.2722.02776histogram
CA2093443.28166.86056.1472.17678histogram
CB1921717.37046.4632.9042.125295histogram
CE83440.00048.4617.1201.706141histogram
CG1011015.93751.732.0321.319206histogram
N21733102.804138.547120.1163.419221histogram
PHEH397913.54912.3578.3310.712353histogram
HA246581.336.8684.6050.554194histogram
HB2227480.1594.4613.0020.359461histogram
HB322210-0.2124.6902.9430.380476histogram
HD1187054.4698.65187.0580.308569histogram
HD2160434.4698.65187.0620.308494histogram
HE1162524.3788.417.0880.306516histogram
HE2140934.3788.417.0860.309458histogram
HZ111804.3248.94796.9980.411374histogram
C25068166.845184.929175.4921.941157histogram
CA3471436.03069.82158.1292.542125histogram
CB3231925.5256.73939.8772.028305histogram
CD111369116.948148.7280131.5821.243270histogram
CD28048115.549140.309131.5751.202190histogram
CE19903114.754139.560130.7261.320224histogram
CE26997114.7139.70130.7601.213155histogram
CG362127.24156.3138.2692.85415histogram
CZ7297115.100147.2589129.2421.474151histogram
N37725101.474139.02120.3764.078223histogram
PROH67.8088.9958.4660.452 histogram
HA285341.0448.0804.3870.321838histogram
HB226074-0.754.5902.0790.340725histogram
HB325305-0.7853.792.0050.349715histogram
HD2237840.485.3573.6510.343789histogram
HD3229600.105.3573.6200.370894histogram
HG223210-0.78004.4181.9280.302875histogram
HG321579-0.8804.4181.9060.312830histogram
C27709168.381183.423176.7701.449398histogram
CA3870245.43672.2863.3391.487463histogram
CB3573520.91450.2531.8321.144921histogram
CD2116626.91866.22150.3431.043461histogram
CG2122518.280050.75327.2031.102492histogram
N2231110.492145.739135.6004.985330histogram
SERH702322.964013.1308.2750.561979histogram
HA439151.2776.85304.4670.3921211histogram
HB2398061.6735.6603.8710.251992histogram
HB3368771.165.5743.8470.269929histogram
HG7390.138.975.3411.03640histogram
C45354164.470197.1174.6411.688524histogram
CA6329345.1373.67858.6972.040300histogram
CB5826231.40078.83463.7961.486925histogram
N6701595.97133.684116.3053.406774histogram
THRH610885.17311.8048.2250.606787histogram
HA379321.657.4684.4450.467330histogram
HB341110.928.3464.1670.319530histogram
HG11193-1.7839.1295.0721.30967histogram
MG34110-0.9733.281.1390.2101104histogram
C38663165.5185.319174.5631.693441histogram
CA5373240.73773.25462.2142.554170histogram
CB4939528.96481.52669.6921.685617histogram
CG22922411.736.17021.5501.090685histogram
N5841995.262141.606115.3224.681401histogram
TRPH127865.1611.758628.2580.764127histogram
HA79612.0436.5804.6510.508111histogram
HB274300.424.543.1890.333166histogram
HB372050.2574.4403.1250.360169histogram
HD165384.908.937.1380.334181histogram
HE175004.6913.49010.0860.633203histogram
HE356644.89107.3250.406199histogram
HH256014.3728.7976.9840.350215histogram
HZ260574.6558.59807.2890.313206histogram
HZ354663.8778.8986.8800.366177histogram
C7612166.766182.7176.2281.98252histogram
CA1067743.50381.057.7382.49447histogram
CB978418.63352.329.8921.959109histogram
CD14050108.450135.599126.5761.835118histogram
CD213822.530132.622127.2659.1834histogram
CE2161113.888177.710137.6356.6388histogram
CE3338793.343137.600120.5111.792110histogram
CG190102.53116.526110.9851.8939histogram
CH2359691.616131.540123.8061.51794histogram
CZ2385081.812132.031114.2701.379106histogram
CZ3343998.613138.390121.3801.56693histogram
N11630101.970138.113121.5374.029161histogram
NE15954106.0141.38129.2572.124167histogram
TYRH339244.15612.348.2790.719257histogram
HA209611.1886.8254.5990.544277histogram
HB219255-0.4944.72.9090.361419histogram
HB318760-0.1924.72.8470.380458histogram
HD1164794.6848.5386.9410.289500histogram
HD2143614.438.5386.9370.289441histogram
HE1156294.588.04006.7030.222453histogram
HE2137084.588.56.7040.224385histogram
HH278-0.78813.7489.0741.59211histogram
C20830165.167184.78175.5441.938144histogram
CA2880138.58269.5658.1762.47777histogram
CB2654525.32157.73239.2292.106209histogram
CD110040115.3141.572132.7261.362247histogram
CD27035113.003139.472132.7181.479149histogram
CE1990592.486137.420117.9471.328228histogram
CE26952106.548135.823117.9261.245134histogram
CG331117.7155.9129.6833.33412histogram
CZ216126.43161.75577156.8762.5156histogram
N3160161.07144.96120.4384.067260histogram
VALH736823.9812.5858.2660.655529histogram
HA461420.9726.2984.1580.566218histogram
HB42409-1.2403.7581.9860.309940histogram
MG143314-1.552.5730.8240.2591325histogram
MG242554-2.323.320.8060.2761241histogram
C47925164.438183.949175.7281.841335histogram
CA6541639.65477.14562.5502.827138histogram
CB6019717.20545.33132.6711.759395histogram
CG13848212.07132.2721.4951.357561histogram
CG23720211.37533.11821.3031.515474histogram
N7112693.758143.29121.0754.347828histogram