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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Compound ID Atom Name Number of Shifts Minimum Shift Maximum Shift Average Shift Standard Deviation
ALAH676963.5312.1108.1940.578
HA454900.8706.5144.2400.423
MB43356-0.8803.41061.3570.246
C44054164.477187.2177.8132.052
CA6010439.92267.02253.1651.929
CB565156.60643.1418.9741.768
N6440698.053142.81123.3433.449
ARGH451873.56612.698.2350.602
HA311791.2916.6184.2870.448
HB228116-0.6163.741.7960.257
HB326630-0.743.741.7650.268
HD2245831.0414.8493.1180.228
HD3223860.8474.6893.1040.245
HE76982.20111.887.3560.553
HG225060-0.7113.5101.5670.262
HG323273-0.7423.5101.5460.278
HH116645.6429.826.8960.423
HH125175.9208.766.8440.361
HH215694.8458.666.7980.379
HH224655.9208.7766.7920.346
C27528167.44184.51176.4881.987
CA3873735.767.9856.7882.276
CB3595620.77543.39230.6451.794
CD2091127.12150.88243.1570.921
CG2075118.2249.390027.2201.204
CZ523113.281179.920159.9143.590
N41513102.427137.600120.8633.608
NE431867.0099.80884.5891.609
NH113667.687.8274.1495.021
NH211669.25887.8372.6512.942
ASNH372822.61012.6758.3230.609
HA255912.0406.6004.6580.350
HB2237960.184.472.8030.310
HB322941-0.1164.7662.7480.330
HD21174612.069.7677.3280.481
HD22172382.5789.9867.1470.494
C23332166.8185.3000175.3021.756
CA3276741.19764.50853.5401.851
CB3094823.16457.3538.6941.647
CG1944166.399183.8176.7761.372
N34795101.712137.49118.9443.876
ND21485899.4134.500112.7592.261
ASPH528964.06212.688.3000.558
HA354472.1716.674.5840.310
HB232790-0.396.62.7110.261
HB331506-0.3624.582.6610.269
HD294.575012.127.1892.887
C33802166.8182.7176.4321.682
CA4668941.11367.16654.6892.001
CB4401226.500858.5140.8811.592
CG589169.68186.5179.2021.790
N50632101.90143.52120.7143.752
CYSH192824.37912.6608.3870.671
HA157561.646.4484.6560.539
HB215118-0.4884.7152.9550.432
HB314751-0.834.772.8890.442
HG177-1.8307.3921.9691.171
C9035166.733187.591174.8812.023
CA1354841.51468.07458.0753.439
CB1287917.9963.8933.4056.489
N14707100.48138.678120.1484.419
GLNH386873.50512.2248.2190.570
HA260481.5676.44204.2570.421
HB223528-0.1644.002.0450.251
HB322436-0.5844.042.0140.266
HE21161253.399.9227.2230.441
HE22160373.599.797.0340.432
HG221884-0.2124.4402.3140.263
HG320307-0.4064.442.2940.279
C24903168.085185.308176.3561.904
CA3443343.45366.6056.5712.086
CB3213118.42543.64929.1661.780
CD1891171.365183.929179.7041.218
CG1927621.6451.08033.7841.094
N36880103.877139.55120.0143.511
NE21436792.49133.301111.8701.687
GLUH698264.28912.6928.3300.576
HA468751.3936.31504.2400.401
HB2420510.3403.442.0210.206
HB3395840.1633.4671.9970.211
HE272.7276.693.9291.887
HG2386960.5033.772.2670.208
HG3361310.4533.8322.2480.211
C45448166.8182.988176.9321.890
CA6168941.95571.1657.3132.064
CB5741018.35649.56029.9741.690
CD671173.41187.0182.2842.206
CG3451725.05954.82636.1061.184
N67115101.337138.6120.7613.416
GLYH669023.0112.228.3310.621
HA2443380.8446.9833.9620.363
HA3422400.6456.9833.8940.364
C42378163.272187.394173.8981.810
CA5940533.14861.27645.3651.289
N6252693.604162.194109.5653.626
HISH186183.97012.3928.2470.666
HA132471.9298.94.6010.424
HB212263-0.0388.73.1030.352
HB311913-0.3878.73.0460.376
HD15582.7377.19.2147.186
HD286000.2649.4156.9970.473
HE167310.07510.88107.9430.568
HE22326.57316.539.4962.293
C11698166.900183.120175.2651.943
CA1681643.30871.1556.4922.293
CB1571918.74554.930.2612.108
CD25653110.516159.946120.3143.311
CE14367104.667144.756137.6052.327
CG166117.54139.557132.1693.010
N17353103.986136.48119.7174.010
ND1330162.040229.140194.13519.213
NE2347161.098226.759184.32316.852
ILEH468133.4211.8718.2630.675
HA317821.326.3624.1550.546
HB29727-1.2803.871.7850.288
HG1226813-2.122.8491.2750.394
HG1325774-2.0742.9901.1990.406
MD29776-1.4682.820.6810.282
MG28209-1.4682.1980.7760.267
C30009166.4030187.551175.9451.886
CA4133943.83671.85661.6732.676
CB3843518.151.87638.5591.992
CD1265054.93729.59513.3981.644
CG1236818.76742.08727.7421.702
CG2250373.44837.00817.5231.327
N4443283.327138.12121.4244.198
LEUH778134.07713.2208.2150.626
HA525651.586.4204.2970.452
HB248000-1.2524.48501.6110.338
HB346064-1.4704.48501.5280.358
HG42141-1.063.91.5110.329
MD148554-1.762.36400.7570.272
MD246736-1.9222.3490.7370.278
C49846166.222189.78177.0911.919
CA6863937.91667.88055.6862.106
CB6393626.455.54642.2461.836
CD14172310.94536.8524.6331.584
CD2398619.86032.51524.0811.672
CG3670415.300038.62126.7811.087
N7358284.655177.623121.8533.824
LYSH653703.25812.0318.1780.589
HA454000.686.254.2560.424
HB240453-0.3003.8821.7780.239
HB338294-0.4493.8821.7510.259
HD232370-1.68003.191.6060.209
HD329314-0.5673.1931.5980.212
HE2319400.674.432.9120.195
HE3283141.124.5502.9070.199
HG236491-0.773.1281.3690.249
HG333829-0.8713.0461.3530.264
C40479166.633185.000176.7301.898
CA5621640.72665.86656.9602.157
CB5229521.19246.60032.7651.755
CD2937715.36642.86828.9611.101
CE2829625.24156.041.8860.865
CG3120716.84540.5024.8951.123
N60827101.1140.3121.0753.678
NZ7829.4847.344433.4412.517
QZ12781.9499.907.4160.601
METH182784.86512.4568.2500.576
HA128621.1276.354.3870.455
HB211420-1.054.072.0280.324
HB310767-0.993.471.9930.335
HG210443-0.424.4002.4200.353
HG39909-0.4694.2402.3960.371
ME7880-0.7138.3811.8890.387
C12091167.4183.159176.2712.043
CA1704843.28166.86056.1702.180
CB1571920.36146.4632.9212.153
CE71790.00048.4617.1241.782
CG888915.93751.732.0381.320
N17570102.804138.547120.0903.450
PHEH330623.54912.17598.3350.709
HA220511.336.8684.6080.557
HB2204060.1594.4613.0000.363
HB319958-0.2124.6902.9400.383
HD1170414.4698.1527.0570.309
HD2145074.4698.1527.0610.310
HE1148174.3788.417.0860.308
HE2127594.3788.417.0830.311
HZ102664.3248.9196.9950.415
C20763166.845184.929175.4911.961
CA2882236.03069.82158.1242.554
CB2690225.5256.73939.9202.050
CD110219116.948143.164131.5801.252
CD27273115.549140.309131.5701.221
CE18883114.754139.560130.7221.323
CE26306114.7139.70130.7521.199
CG277127.24152.844138.1782.911
CZ6561115.100139.132129.2221.477
N31085101.474139.02120.3894.095
PROHA254571.0448.0804.3880.323
HB223484-0.754.5902.0790.341
HB322809-0.5833.792.0040.348
HD2215240.635.3573.6500.345
HD3207960.33525.3573.6180.374
HG221018-0.8014.4181.9270.305
HG319551-0.904.4181.9050.315
C22562168.381182.836176.7591.465
CA3196248.55772.2863.3501.502
CB2965820.91450.2531.8471.160
CD1879926.91866.22150.3431.048
CG1880518.280050.75327.2081.103
N1435110.492145.739135.2535.603
SERH571562.964013.1308.2780.569
HA392101.2776.85304.4680.396
HB2357321.665.4533.8710.252
HB3331461.125.4533.8460.272
HG6240.138.975.3501.053
C36826164.470197.1174.6471.711
CA5168645.1373.67858.7202.055
CB4774431.40078.83463.8081.502
N5391895.97133.684116.2973.459
THRH501855.32011.8048.2340.610
HA340031.657.4684.4490.470
HB307810.928.3464.1640.320
HG11038-1.7839.01305.0621.303
MG30637-0.9733.281.1380.212
C31658165.5184.431174.5701.703
CA4409743.39172.79762.2342.556
CB4074527.0981.52669.7021.714
CG22575811.736.72521.5481.090
N4753995.262138.274115.3524.698
TRPH106025.1611.758628.2650.761
HA71332.0436.5804.6580.512
HB266950.424.543.1900.339
HB365010.2574.4403.1240.361
HD159634.908.937.1380.336
HE166634.6914.39210.0850.636
HE351794.899.94907.3230.410
HH251234.3728.7976.9810.352
HZ255474.6558.59807.2870.318
HZ349993.8778.8986.8760.369
C6265168.169182.604176.2081.984
CA883743.50381.057.7192.516
CB819218.63352.329.9291.982
CD13664108.450135.599126.5591.855
CD2125120.000132.622127.9671.931
CE2136113.888177.710138.0646.504
CE3306393.343137.600120.4941.811
CG167102.53116.526110.9861.962
CH2325891.616131.540123.8061.547
CZ2348481.812134.7114.2551.432
CZ3310898.613138.390121.3631.599
N9510101.970138.113121.5504.054
NE15254106.0144.357129.2542.173
TYRH278814.15612.348.2910.722
HA188931.1886.8254.6010.550
HB217424-0.4944.72.9080.363
HB317028-0.1924.72.8450.386
HD1150624.6848.5386.9400.291
HD2130694.438.5386.9350.291
HE1142944.588.04006.7010.224
HE2124944.588.56.7030.226
HH253-0.78813.7489.1601.554
C17021167.860184.78175.5241.947
CA2371238.58269.5658.1842.490
CB2191525.32157.73239.2702.125
CD19039115.3141.572132.7101.389
CD26355113.003139.472132.6961.506
CE1891892.486137.420117.9451.368
CE26268106.548135.823117.9171.273
CG253117.7144.3129.5102.715
CZ161153.6160.45156.8871.442
N2564961.07144.96120.4854.080
VALH609333.9812.5858.2710.660
HA413800.9726.2984.1580.567
HB38211-1.2403.7581.9850.312
MG138379-1.552.5730.8260.259
MG237619-2.323.320.8060.277
C39531148.258183.949175.7161.852
CA5404444.98077.14562.5502.835
CB4985718.9745.33132.6941.769
CG13345712.07132.2721.5021.357
CG23230111.37533.11821.2991.520
N5827693.758143.29121.0894.390