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 HistogramSecondary structure histogram
ALAH872783.5313.92888.1940.572935histogramsecondary structure histogram
HA525070.8706.5144.2370.4191586histogramsecondary structure histogram
MB50444-0.8303.41061.3570.2431595histogramsecondary structure histogram
C56857164.477187.2177.8172.026482histogramsecondary structure histogram
CA7711635.7772.25253.1411.924382histogramsecondary structure histogram
CB726696.60640.3218.9551.7421394histogramsecondary structure histogram
N8371098.053142.81123.3773.417906histogramsecondary structure histogram
ARGH574363.56612.698.2350.595549histogramsecondary structure histogram
HA359181.2916.6184.2840.443719histogramsecondary structure histogram
HB232138-0.6113.741.7950.255869histogramsecondary structure histogram
HB330365-0.743.741.7650.267837histogramsecondary structure histogram
HD2279991.0414.8493.1180.227997histogramsecondary structure histogram
HD3254580.1994.6893.1030.256835histogramsecondary structure histogram
HE87232.20111.887.3550.564476histogramsecondary structure histogram
HG228552-0.6883.5101.5670.260848histogramsecondary structure histogram
HG326456-0.7423.5101.5470.278837histogramsecondary structure histogram
HH116965.6429.826.8950.43037histogramsecondary structure histogram
HH125425.9208.766.8450.35727histogramsecondary structure histogram
HH215974.8459.6636.8070.39637histogramsecondary structure histogram
HH224915.9208.7766.7960.35040histogramsecondary structure histogram
C35396167.086184.51176.4931.964187histogramsecondary structure histogram
CA4957135.774.47756.7682.259165histogramsecondary structure histogram
CB4574918.47044.32830.6241.770644histogramsecondary structure histogram
CD2424127.12151.42243.1630.918648histogramsecondary structure histogram
CG2412818.2249.390027.2161.193497histogramsecondary structure histogram
CZ646113.281180.3159.8643.54656histogramsecondary structure histogram
N53565102.427137.600120.9013.581501histogramsecondary structure histogram
NE482267.0099.80884.5931.5951496histogramsecondary structure histogram
NH115267.687.8274.0894.81539histogramsecondary structure histogram
NH212969.25887.8372.8372.91245histogramsecondary structure histogram
ASNH476042.61012.6758.3220.604718histogramsecondary structure histogram
HA294642.0406.6004.6580.348594histogramsecondary structure histogram
HB2272410.184.472.8030.306729histogramsecondary structure histogram
HB326254-0.0744.7662.7490.324726histogramsecondary structure histogram
HD21197052.069.7677.3280.475353histogramsecondary structure histogram
HD22194272.5789.9867.1480.489402histogramsecondary structure histogram
C30055166.8187.551175.2921.743228histogramsecondary structure histogram
CA4193341.19768.56353.5181.842290histogramsecondary structure histogram
CB3941923.16457.3538.6821.633670histogramsecondary structure histogram
CG2260111.6183.8176.7142.37315histogramsecondary structure histogram
N44963101.712137.49118.9743.823325histogramsecondary structure histogram
ND21675199.4134.500112.7482.235409histogramsecondary structure histogram
ASPH674854.06212.688.2950.552890histogramsecondary structure histogram
HA407162.1716.934.5810.306955histogramsecondary structure histogram
HB237393-0.396.62.7110.259841histogramsecondary structure histogram
HB335853-0.3624.582.6610.266823histogramsecondary structure histogram
HD2100.96812.126.5673.358 histogramsecondary structure histogram
C43300166.8182.955176.4271.672367histogramsecondary structure histogram
CA5950941.11367.16654.6641.990240histogramsecondary structure histogram
CB5589226.500858.5140.8631.576937histogramsecondary structure histogram
CG783169.68186.5179.2321.85040histogramsecondary structure histogram
N6508898.471143.52120.7423.710451histogramsecondary structure histogram
CYSH232204.37912.6608.3790.672198histogramsecondary structure histogram
HA178511.646.4484.6550.535211histogramsecondary structure histogram
HB217081-0.4884.7152.9550.427493histogramsecondary structure histogram
HB316637-0.834.772.8930.438499histogramsecondary structure histogram
HG221-1.8308.4862.0861.26910histogramsecondary structure histogram
C11077166.733187.591174.8252.03458histogramsecondary structure histogram
CA1678441.51468.07458.0353.45224histogramsecondary structure histogram
CB1587817.9963.8933.4476.56523histogramsecondary structure histogram
N18296100.48138.678120.0824.364150histogramsecondary structure histogram
GLNH512363.50512.65758.2190.556638histogramsecondary structure histogram
HA301461.5677.344.2560.415719histogramsecondary structure histogram
HB226948-0.144.0252.0450.247598histogramsecondary structure histogram
HB325617-0.5204.042.0160.260593histogramsecondary structure histogram
HE21183003.399.9227.2290.438279histogramsecondary structure histogram
HE22180393.599.797.0360.432336histogramsecondary structure histogram
HG224937-0.2124.4402.3160.257677histogramsecondary structure histogram
HG323047-0.4064.442.2960.274696histogramsecondary structure histogram
C32947166.539185.308176.3461.868150histogramsecondary structure histogram
CA4506043.45367.01656.5332.067147histogramsecondary structure histogram
CB4163018.42544.20329.1441.746649histogramsecondary structure histogram
CD2280171.365183.929179.7051.25377histogramsecondary structure histogram
CG2244921.6451.0833.7851.087436histogramsecondary structure histogram
N49324103.877139.55120.0903.427495histogramsecondary structure histogram
NE21631092.49133.301111.8701.685462histogramsecondary structure histogram
GLUH880214.21512.6928.3300.5701083histogramsecondary structure histogram
HA535581.3936.3354.2370.3971445histogramsecondary structure histogram
HB2476790.3403.442.0210.2041113histogramsecondary structure histogram
HB3448240.2853.4671.9980.2091075histogramsecondary structure histogram
HE2172.7277.3764.1321.4471histogramsecondary structure histogram
HG2436670.5283.772.2680.2041145histogramsecondary structure histogram
HG3406500.5553.8322.2500.2081021histogramsecondary structure histogram
C57558166.8183.598176.9321.874372histogramsecondary structure histogram
CA7752241.95571.1657.3022.053321histogramsecondary structure histogram
CB7190118.35649.56029.9471.6651080histogramsecondary structure histogram
CD876173.41188.710182.2052.28560histogramsecondary structure histogram
CG3956025.05954.82636.1101.175817histogramsecondary structure histogram
N85199101.337138.6120.7993.386840histogramsecondary structure histogram
GLYH866972.88112.228.3280.6122022histogramsecondary structure histogram
H128.3738.6778.5250.215 histogramsecondary structure histogram
HA2510870.78379593456.9833.9580.3631330histogramsecondary structure histogram
HA3483870.6456.9833.8940.3611368histogramsecondary structure histogram
C54894163.029187.394173.9011.783910histogramsecondary structure histogram
CA7658533.14861.27645.3481.285973histogramsecondary structure histogram
N8216391.124139.866109.5473.5291117histogramsecondary structure histogram
HISH236423.13912.3928.2440.662426histogramsecondary structure histogram
HA150801.9298.94.5990.422510histogramsecondary structure histogram
HB213880-0.0388.73.1030.350641histogramsecondary structure histogram
HB313408-0.3878.73.0480.371623histogramsecondary structure histogram
HD16162.7374.88.9075.67530histogramsecondary structure histogram
HD294820.2649.4157.0000.463465histogramsecondary structure histogram
HE174100.07510.88107.9510.559274histogramsecondary structure histogram
HE22656.03716.539.6252.28822histogramsecondary structure histogram
C14790166.900183.120175.2501.93688histogramsecondary structure histogram
CA2109842.5058256.4702.290165histogramsecondary structure histogram
CB1962218.74546.97830.2502.073292histogramsecondary structure histogram
CD26335110.516159.946120.2903.253139histogramsecondary structure histogram
CE14898104.667144.756137.5902.314101histogramsecondary structure histogram
CG225117.54139.557132.2652.9897histogramsecondary structure histogram
N22309103.986136.48119.7324.017252histogramsecondary structure histogram
ND1373162.040229.140193.19018.607116histogramsecondary structure histogram
NE2397161.098226.759183.31216.40626histogramsecondary structure histogram
ILEH590033.34411.8718.2560.671444histogramsecondary structure histogram
HA362601.326.3624.1520.544200histogramsecondary structure histogram
HB33711-1.2803.871.7890.286715histogramsecondary structure histogram
HG1230240-2.122.8491.2750.391473histogramsecondary structure histogram
HG1329029-2.3682.9901.2040.405444histogramsecondary structure histogram
MD34944-1.4682.820.6830.2791105histogramsecondary structure histogram
MG32102-1.4682.1980.7780.2651035histogramsecondary structure histogram
C38050166.4030187.551175.9731.870285histogramsecondary structure histogram
CA5224139.56371.85661.6792.676121histogramsecondary structure histogram
CB4816818.151.87638.5281.976418histogramsecondary structure histogram
CD1318071.35831.91313.3901.633707histogramsecondary structure histogram
CG1274518.76742.08727.7571.700431histogramsecondary structure histogram
CG2291763.44837.00817.5201.304695histogramsecondary structure histogram
N5662583.327138.12121.4144.155813histogramsecondary structure histogram
LEUH989803.01213.2208.2140.626777histogramsecondary structure histogram
H117.3407.3407.340 histogramsecondary structure histogram
HA602171.7216.4204.2930.449709histogramsecondary structure histogram
HB254610-1.2524.12811.6110.3361075histogramsecondary structure histogram
HB352260-1.7773.22601.5290.3581067histogramsecondary structure histogram
HG47334-1.063.91.5120.329965histogramsecondary structure histogram
MD156364-1.762.36400.7550.2721954histogramsecondary structure histogram
MD254391-1.9222.3490.7360.2781852histogramsecondary structure histogram
C63551166.222189.78177.1081.900475histogramsecondary structure histogram
CA8723742.68667.88055.6762.093279histogramsecondary structure histogram
CB8053726.453.7042.2071.8151108histogramsecondary structure histogram
CD14923510.94536.8524.6211.581534histogramsecondary structure histogram
CD2471529.86032.51524.0981.666433histogramsecondary structure histogram
CG4204715.300037.826.7821.0711185histogramsecondary structure histogram
N9458284.655177.633121.8443.807621histogramsecondary structure histogram
LYSH828323.25812.0318.1770.5851008histogramsecondary structure histogram
HA520450.687.964.2530.4191094histogramsecondary structure histogram
HB246125-0.3003.8191.7790.2371226histogramsecondary structure histogram
HB343431-0.4493.8191.7530.2561140histogramsecondary structure histogram
HD236723-1.68003.191.6070.2061229histogramsecondary structure histogram
HD333187-0.5343.1931.6000.2101092histogramsecondary structure histogram
HE2362770.7504.432.9140.1921244histogramsecondary structure histogram
HE3321171.1714.5502.9080.1971105histogramsecondary structure histogram
HG241445-0.773.1281.3690.2471335histogramsecondary structure histogram
HG338377-0.8713.0461.3540.2621197histogramsecondary structure histogram
C51318166.633185.000176.7261.896344histogramsecondary structure histogram
CA7105240.72675.49656.9512.150244histogramsecondary structure histogram
CB6582815.9546.60032.7381.7381032histogramsecondary structure histogram
CD3376915.36642.86828.9671.0891093histogramsecondary structure histogram
CE3241522.66256.041.8960.8591132histogramsecondary structure histogram
CG3601016.84540.5024.8961.1021074histogramsecondary structure histogram
N77881101.1140.3121.1203.662652histogramsecondary structure histogram
NZ12820.947.344433.1172.664130histogramsecondary structure histogram
QZ14501.3209.907.4130.60665histogramsecondary structure histogram
METH234174.86512.4568.2510.569218histogramsecondary structure histogram
HA148261.1276.354.3880.454302histogramsecondary structure histogram
HB213077-1.054.072.0300.321372histogramsecondary structure histogram
HB312281-0.993.471.9950.332301histogramsecondary structure histogram
HG211923-0.5284.4002.4210.355370histogramsecondary structure histogram
HG311290-0.5284.2402.3960.370357histogramsecondary structure histogram
ME9298-0.7138.3811.8910.375336histogramsecondary structure histogram
C15677165.891185.212176.2572.02678histogramsecondary structure histogram
CA2193743.28166.86056.1312.17683histogramsecondary structure histogram
CB2011617.37046.4632.9042.125306histogramsecondary structure histogram
CE85580.00048.4617.1211.692142histogramsecondary structure histogram
CG1034815.93751.732.0291.323210histogramsecondary structure histogram
N22751102.804138.547120.1423.415228histogramsecondary structure histogram
PHEH416903.54912.3578.3280.711367histogramsecondary structure histogram
HA252061.336.8684.6030.554196histogramsecondary structure histogram
HB2232330.1594.4613.0020.359466histogramsecondary structure histogram
HB322676-0.2124.6902.9420.380483histogramsecondary structure histogram
HD1190294.4698.65187.0580.308579histogramsecondary structure histogram
HD2163434.4698.65187.0620.308500histogramsecondary structure histogram
HE1165284.3788.417.0880.305532histogramsecondary structure histogram
HE2143544.3788.417.0850.309461histogramsecondary structure histogram
HZ113774.3248.94796.9980.411381histogramsecondary structure histogram
C26351166.845184.929175.4881.942167histogramsecondary structure histogram
CA3644136.03069.82158.1192.539127histogramsecondary structure histogram
CB3384025.5256.73939.8712.027317histogramsecondary structure histogram
CD111557116.948148.7280131.5831.246277histogramsecondary structure histogram
CD28165115.549140.309131.5741.208192histogramsecondary structure histogram
CE110053114.754139.560130.7261.322228histogramsecondary structure histogram
CE27088114.7139.70130.7601.213161histogramsecondary structure histogram
CG375127.24156.3138.2482.83215histogramsecondary structure histogram
CZ7421115.100147.2589129.2521.476156histogramsecondary structure histogram
N39576101.474139.02120.3634.076233histogramsecondary structure histogram
PROH87.8089.16608.5190.473 histogramsecondary structure histogram
HA292351.0448.0804.3860.322863histogramsecondary structure histogram
HB226700-0.754.5902.0780.340750histogramsecondary structure histogram
HB325910-0.7853.792.0040.349734histogramsecondary structure histogram
HD2242960.485.3573.6510.342806histogramsecondary structure histogram
HD3234530.105.3573.6200.369915histogramsecondary structure histogram
HG223725-0.78004.4181.9280.301897histogramsecondary structure histogram
HG322018-0.8804.4181.9060.312846histogramsecondary structure histogram
C29459168.381183.423176.7701.444419histogramsecondary structure histogram
CA4084345.43672.2863.3351.485488histogramsecondary structure histogram
CB3770020.91450.2531.8341.147950histogramsecondary structure histogram
CD2168226.91866.22150.3421.044471histogramsecondary structure histogram
CG2177018.280050.75327.2001.105497histogramsecondary structure histogram
N2455110.492145.739135.6165.000344histogramsecondary structure histogram
SERH746022.964013.138.2740.5561054histogramsecondary structure histogram
HA449601.2776.85304.4660.3911263histogramsecondary structure histogram
HB2406521.6735.6603.8700.2501024histogramsecondary structure histogram
HB3375871.1905.5743.8470.268954histogramsecondary structure histogram
HG7520.138.975.3371.04241histogramsecondary structure histogram
C48082164.470197.1174.6331.685551histogramsecondary structure histogram
CA6687945.1373.67858.6812.032320histogramsecondary structure histogram
CB6145530.97278.83463.7911.494943histogramsecondary structure histogram
N7136195.97133.684116.3163.374830histogramsecondary structure histogram
THRH643355.17311.8048.2240.605821histogramsecondary structure histogram
HA388251.657.4684.4460.467333histogramsecondary structure histogram
HB348250.928.3464.1660.319535histogramsecondary structure histogram
HG11222-1.7839.1295.0611.32759histogramsecondary structure histogram
MG34823-0.9733.281.1380.2101126histogramsecondary structure histogram
C40757165.5185.319174.5541.693461histogramsecondary structure histogram
CA5658340.73773.25462.2062.546182histogramsecondary structure histogram
CB5188628.96481.52669.6931.690630histogramsecondary structure histogram
CG22996611.736.17021.5501.090698histogramsecondary structure histogram
N6162095.262141.606115.3294.670429histogramsecondary structure histogram
TRPH133735.1611.758628.2600.764127histogramsecondary structure histogram
HA81452.0436.894.6510.509112histogramsecondary structure histogram
HB275910.424.543.1880.333174histogramsecondary structure histogram
HB373590.2575.6203.1260.361169histogramsecondary structure histogram
HD166584.908.937.1390.333190histogramsecondary structure histogram
HE177134.6913.49010.0890.634208histogramsecondary structure histogram
HE357594.89107.3260.406200histogramsecondary structure histogram
HH257044.3728.7976.9840.350222histogramsecondary structure histogram
HZ261674.6558.59807.2890.313212histogramsecondary structure histogram
HZ355613.8778.8986.8810.366178histogramsecondary structure histogram
C7990166.766182.7176.2441.97853histogramsecondary structure histogram
CA1121143.50381.057.7502.49447histogramsecondary structure histogram
CB1024018.63352.329.8881.958111histogramsecondary structure histogram
CD14117108.450135.599126.5721.837122histogramsecondary structure histogram
CD214022.530132.622127.2669.1174histogramsecondary structure histogram
CE2159113.888177.710137.6326.6818histogramsecondary structure histogram
CE3343393.343137.6120.5051.794111histogramsecondary structure histogram
CG194102.53116.526110.9621.8938histogramsecondary structure histogram
CH2365991.616131.540123.8031.52397histogramsecondary structure histogram
CZ2391781.812132.031114.2651.383111histogramsecondary structure histogram
CZ3349098.613138.390121.3711.59999histogramsecondary structure histogram
N12193101.970138.113121.5454.019170histogramsecondary structure histogram
NE16119106.0141.38129.2622.128174histogramsecondary structure histogram
TYRH360754.15612.348.2780.714274histogramsecondary structure histogram
HA215001.1886.8254.5980.542286histogramsecondary structure histogram
HB219732-0.4944.72.9090.361430histogramsecondary structure histogram
HB319211-0.1924.72.8460.381464histogramsecondary structure histogram
HD1168434.6848.5386.9410.288510histogramsecondary structure histogram
HD2146894.438.5386.9370.288452histogramsecondary structure histogram
HE1159694.588.04006.7020.221457histogramsecondary structure histogram
HE2140214.588.56.7040.223388histogramsecondary structure histogram
HH282-0.78813.7489.0791.58311histogramsecondary structure histogram
C21901165.167184.78175.5431.936149histogramsecondary structure histogram
CA3030638.58269.5658.1632.47682histogramsecondary structure histogram
CB2784825.32157.73239.2292.114216histogramsecondary structure histogram
CD110263115.3141.572132.7301.355248histogramsecondary structure histogram
CD27192113.003139.472132.7201.471149histogramsecondary structure histogram
CE11011692.486137.420117.9471.325234histogramsecondary structure histogram
CE27090106.548135.823117.9221.242136histogramsecondary structure histogram
CG341117.7155.9129.6653.29612histogramsecondary structure histogram
CZ224126.43161.75577156.8982.4766histogramsecondary structure histogram
N3369261.07144.96120.4484.048276histogramsecondary structure histogram
VALH773143.9812.5858.2650.655542histogramsecondary structure histogram
HA471610.9726.2984.1570.565221histogramsecondary structure histogram
HB43266-1.2403.7581.9860.309957histogramsecondary structure histogram
MG144320-1.552.5730.8230.2601352histogramsecondary structure histogram
MG243598-2.323.320.8060.2771265histogramsecondary structure histogram
C50096164.438183.949175.7181.842342histogramsecondary structure histogram
CA6848539.65477.14562.5312.823144histogramsecondary structure histogram
CB6291917.20545.33132.6681.761417histogramsecondary structure histogram
CG13951412.07132.2721.4901.357574histogramsecondary structure histogram
CG23826411.37533.11821.3031.517478histogramsecondary structure histogram
N7474293.758143.29121.0764.329867histogramsecondary structure histogram