BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

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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Amino Acid Atom Name Number of Shifts Minimum Shift Maximum Shift Average Shift Standard Deviation
ALAH685473.5312.1108.1940.577
HA458080.8706.5144.2390.422
MB43702-0.8803.41061.3570.246
C44597164.477187.2177.8132.053
CA6085339.92272.25253.1641.932
CB573076.60643.1418.9681.767
N6527798.053142.81123.3453.447
ARGH458153.56612.698.2350.601
HA314491.2916.6184.2870.447
HB228328-0.6163.741.7960.257
HB326835-0.743.741.7650.268
HD2247621.0414.8493.1180.227
HD3225510.8474.6893.1040.245
HE77532.20111.887.3540.559
HG225245-0.7113.5101.5670.262
HG323440-0.7423.5101.5460.278
HH116665.6429.826.8960.423
HH125175.9208.766.8440.361
HH215704.8458.666.7990.379
HH224665.9208.7766.7920.346
C27843167.44184.51176.4891.987
CA3925135.774.47756.7852.277
CB3645820.77543.39230.6411.792
CD2108827.12150.88243.1560.921
CG2092918.2249.390027.2171.204
CZ529113.281179.920159.9093.570
N42144102.427137.600120.8683.605
NE435267.0099.80884.5861.604
NH113667.687.8274.1495.021
NH211669.25887.8372.6512.942
ASNH377642.61012.6758.3240.610
HA257882.0406.6004.6580.349
HB2239680.184.472.8040.309
HB323106-0.1164.7662.7490.330
HD21175842.069.7677.3290.481
HD22173612.5789.9867.1470.494
C23613166.8185.3000175.3031.757
CA3316441.19768.56353.5411.854
CB3134223.16457.3538.6911.647
CG1960111.6183.8176.7062.471
N35286101.712137.49118.9373.878
ND21497699.4134.500112.7592.260
ASPH537044.06212.688.3000.558
HA357102.1716.674.5840.310
HB233015-0.396.62.7110.261
HB331725-0.3624.582.6610.269
HD294.575012.127.1892.887
C34214166.8182.7176.4341.683
CA4729441.11367.16654.6882.002
CB4461126.500858.5140.8781.593
CG60233.593186.5178.9236.217
N51445101.90143.52120.7123.745
CYSH194734.37912.6608.3870.671
HA158701.646.4484.6560.538
HB215224-0.4884.7152.9550.432
HB314857-0.834.772.8900.442
HG183-1.8307.3922.0011.191
C9107166.733187.591174.8832.025
CA1369041.51468.07458.0763.439
CB1302217.9963.8933.4076.488
N14889100.48138.678120.1454.417
GLNH392863.50512.2248.2180.570
HA262541.5676.44204.2570.420
HB223708-0.1644.002.0450.251
HB322615-0.5844.042.0150.265
HE21162493.399.9227.2250.441
HE22161603.599.797.0340.432
HG222050-0.2124.4402.3150.262
HG320467-0.4064.442.2950.278
C25245168.085185.308176.3601.903
CA3488643.45366.6056.5722.088
CB3257718.42543.64929.1631.777
CD1908171.365183.929179.7041.219
CG1945821.6451.0833.7841.093
N37493103.877139.55120.0083.507
NE21449092.49133.301111.8751.691
GLUH708434.24412.6928.3300.576
HA472441.3936.31504.2390.400
HB2423920.3403.442.0210.205
HB3399040.2853.4671.9970.211
HE272.7276.693.9291.887
HG2390050.5033.772.2680.207
HG3364120.4533.8322.2490.211
C45949166.8182.988176.9341.891
CA6241041.95571.1657.3142.065
CB5812318.35649.56029.9681.690
CD686173.41187.0182.3052.189
CG3482625.05954.82636.1041.186
N68146101.337138.6120.7633.414
GLYH678243.0112.228.3300.620
HA2446850.8446.9833.9620.362
HA3425760.6456.9833.8940.364
C42826163.272187.394173.8961.811
CA6014133.14861.27645.3611.290
N6345993.604162.194109.5663.622
HISH188843.97012.3928.2460.668
HA133351.9298.94.6010.423
HB212346-0.0388.73.1030.352
HB311995-0.3878.73.0470.376
HD15602.7377.19.2027.176
HD286510.2649.4156.9980.473
HE167810.07510.88107.9450.567
HE22336.57316.539.4952.288
C11815166.900183.120175.2681.944
CA1700543.30871.1556.4942.291
CB1590718.74554.930.2562.107
CD25692110.516159.946120.3163.305
CE14400104.667144.756137.6002.322
CG171117.54139.557132.2313.014
N17621103.986136.48119.7214.012
ND1340162.040229.140193.66819.122
NE2357161.098226.759184.03516.703
ILEH474573.4211.8718.2640.674
HA319851.326.3624.1550.546
HB29922-1.2803.871.7860.288
HG1226999-2.122.8491.2750.394
HG1325957-2.0742.9901.1990.406
MD30027-1.4682.820.6810.282
MG28402-1.4682.1980.7770.267
C30350166.4030187.551175.9481.885
CA4181239.56371.85661.6752.680
CB3889018.151.87638.5551.992
CD1267754.93729.59513.3961.647
CG1238908.76742.08727.7441.708
CG2252483.44837.00817.5231.327
N4509083.327138.12121.4274.194
LEUH789543.01213.2208.2160.627
HA529531.586.4204.2960.452
HB248362-1.2524.48501.6120.339
HB346414-1.4704.48501.5270.358
HG42474-1.063.91.5120.329
MD148969-1.762.36400.7570.272
MD247131-1.9222.3490.7370.278
C50459166.222189.78177.0941.920
CA6952337.91667.88055.6852.108
CB6479426.455.54642.2421.835
CD14214610.94536.8524.6331.585
CD2402569.86032.51524.0821.671
CG3705415.300038.62126.7801.087
N7474484.655177.623121.8543.821
LYSH664523.25812.0318.1770.589
HA457940.686.254.2550.424
HB240801-0.3003.8821.7780.238
HB338604-0.4493.8821.7510.259
HD232648-1.68003.191.6060.208
HD329555-0.5673.1931.5990.212
HE2322170.674.432.9130.195
HE3285351.124.5502.9070.199
HG236799-0.773.1281.3690.249
HG334114-0.8713.0461.3530.263
C41003166.633185.000176.7341.897
CA5698340.72675.49656.9632.159
CB5305621.19246.60032.7591.754
CD2968815.36642.86828.9611.099
CE2858125.24156.041.8870.863
CG3152816.84540.5024.8941.122
N61912101.1140.3121.0683.674
NZ7829.4847.344433.4412.517
QZ12841.9499.907.4170.600
METH185694.86512.4568.2490.575
HA129881.1276.354.3860.455
HB211530-1.054.072.0280.323
HB310870-0.993.471.9940.334
HG210547-0.424.4002.4200.352
HG310007-0.4694.2402.3950.371
ME7963-0.7138.3811.8880.387
C12253167.4183.159176.2742.040
CA1728343.28166.86056.1722.180
CB1594920.36146.4632.9132.149
CE72630.00048.4617.1181.777
CG899815.93751.732.0361.321
N17873102.804138.547120.0853.447
PHEH334903.54912.17598.3350.710
HA221851.336.8684.6080.557
HB2205280.1594.4612.9990.363
HB320080-0.2124.6902.9400.383
HD1171274.4698.1527.0570.309
HD2145924.4698.1527.0610.310
HE1149124.3788.417.0860.307
HE2128524.3788.417.0830.311
HZ103164.3248.9196.9940.415
C20969166.845184.929175.4941.962
CA2913336.03069.82158.1262.555
CB2720625.5256.73939.9162.049
CD110278116.948143.164131.5811.250
CD27320115.549140.309131.5711.218
CE18954114.754139.560130.7171.325
CE26370114.7139.70130.7461.201
CG283127.24152.844138.1882.881
CZ6603115.100139.132129.2221.482
N31515101.474139.02120.3884.093
PROHA256041.0448.0804.3880.322
HB223607-0.754.5902.0790.341
HB322932-0.7853.792.0040.348
HD2216360.635.3573.6500.345
HD3208970.33525.3573.6180.374
HG221133-0.8014.4181.9280.304
HG319659-0.904.4181.9050.315
C22824168.381182.836176.7561.467
CA3233648.55772.2863.3481.504
CB3001720.91450.2531.8441.161
CD1893126.91866.22150.3421.050
CG1894018.280050.75327.2061.104
N1517110.492145.739135.3285.499
SERH579932.964013.1308.2770.569
HA394761.2776.85304.4680.395
HB2359721.665.4533.8710.252
HB3333781.125.4533.8460.272
HG6300.138.975.3401.058
C37247164.470197.1174.6461.711
CA5231245.1373.67858.7172.056
CB4834531.40078.83463.8061.502
N5477295.97133.684116.2933.453
THRH507645.32011.8048.2320.610
HA341921.657.4684.4480.470
HB309520.928.3464.1650.320
HG11053-1.7839.01305.0621.298
MG30841-0.9733.281.1380.212
C31969165.5184.431174.5691.702
CA4455140.73772.79762.2302.559
CB4119527.0981.52669.6981.713
CG22597511.736.72521.5461.091
N4813595.262138.274115.3514.699
TRPH107055.1611.758628.2650.760
HA71742.0436.5804.6570.511
HB267330.424.543.1900.338
HB365380.2574.4403.1240.361
HD159914.908.937.1390.335
HE167064.6914.39210.0850.637
HE352034.89107.3240.411
HH251434.3728.7976.9820.351
HZ255744.6558.59807.2870.317
HZ350213.8778.8986.8760.368
C6321168.169182.604176.2081.984
CA892843.50381.057.7172.512
CB828118.63352.329.9241.979
CD13683108.450135.599126.5631.854
CD2129120.000132.622128.0251.930
CE2142113.888177.710137.9706.567
CE3308193.343137.600120.4931.809
CG172102.53116.526110.9891.939
CH2327191.616131.540123.8051.545
CZ2350181.812134.7114.2531.431
CZ3312598.613138.390121.3621.595
N9616101.970138.113121.5444.049
NE15291106.0144.357129.2562.166
TYRH282884.15612.348.2900.722
HA190201.1886.8254.6000.549
HB217535-0.4944.72.9080.364
HB317137-0.1924.72.8450.385
HD1151464.6848.5386.9400.291
HD2131514.438.5386.9350.291
HE1143724.588.04006.7010.224
HE2125694.588.56.7030.226
HH254-0.78813.7489.1431.575
C17199167.860184.78175.5271.947
CA2399738.58269.5658.1842.493
CB2219425.32157.73239.2632.123
CD19089115.3141.572132.7131.391
CD26394113.003139.472132.7011.506
CE1896992.486137.420117.9471.364
CE26305106.548135.823117.9191.269
CG258117.7144.3129.5022.701
CZ167126.43160.45156.7372.772
N2605561.07144.96120.4804.082
VALH617293.9812.5858.2700.660
HA416010.9726.2984.1580.567
HB38422-1.2403.7581.9850.312
MG138632-1.552.5730.8260.259
MG237869-2.323.320.8060.276
C39952165.654183.949175.7151.849
CA5465739.65477.14562.5452.840
CB5045418.9745.33132.6901.769
CG13374012.07132.2721.5011.360
CG23256911.37533.11821.2941.520
N5909093.758143.29121.0864.389