BMRB - Biological Magnetic Resonance Bank

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

The statistics presented in this table were calculated from the full BMRB database. This includes paramagnetic proteins, proteins with aromatic prosthetic groups, and entries where chemical shifts are reported relative to uncommon chemical shift reference compounds.

Compound ID	Atom Name	Number of Shifts	Minimum Shift	Maximum Shift	Average Shift	Standard Deviation
ALA	H	79554	-0.914	69.229	8.193	0.644
	HA	55976	-2.52	17.870	4.245	0.444
	MB	53886	-14.040	5.48	1.351	0.280
	C	51446	0.037	187.2	177.715	3.892
	CA	70629	17.007	354.698	53.174	2.839
	CB	66963	-40.993	318.868	19.057	3.146
	N	75653	0.049	766	123.345	6.212
ARG	H	52920	0.011	178	8.240	0.967
	HA	38180	1.212	12.57	4.290	0.472
	HB2	34763	-4.78	27.530	1.790	0.313
	HB3	32882	-1.320	27.530	1.758	0.325
	HD2	30566	-6.44	5.0	3.107	0.267
	HD3	27832	-0.690	5.0	3.090	0.287
	HE	10375	1.150	116.661	7.453	2.905
	HG2	31119	-1.45	4.2	1.559	0.285
	HG3	28870	-1.298	5.47	1.539	0.299
	HH11	952	4.41	11.7	6.935	0.570
	HH12	730	4.41	10.727	6.878	0.530
	HH21	811	1.233	11.352	6.825	0.656
	HH22	665	1.233	60.1410	6.905	2.164
	C	32561	0.174	184.96	176.404	3.453
	CA	45814	8.369	358.124	56.793	3.425
	CB	42713	17.736	329.120	30.701	2.558
	CD	26280	18.9350	342.642	43.199	3.012
	CG	26018	12.17	328.290	27.261	3.115
	CZ	704	43.199	184.497	160.270	6.610
	N	48880	0.125	433.808	120.811	4.797
	NE	6581	-23.150	149.1080	90.223	13.895
	NH1	265	6.450	124.7890	78.957	13.694
	NH2	226	66.2	128.470	78.882	14.469
ASN	H	43731	0.008	20.4	8.326	0.651
	HA	31690	0.896	7.110	4.661	0.364
	HB2	29819	-0.773	8.883	2.800	0.335
	HB3	28778	-0.948	5.137	2.742	0.361
	HD21	22496	0.783	111.320	7.338	0.861
	HD22	22231	0.905	111.320	7.144	0.878
	C	27457	0.114	185.3000	175.212	3.671
	CA	38661	2.200	354.022	53.555	3.620
	CB	36658	1.9620	342.798	38.731	3.706
	CG	2528	0.000	183.8	176.376	7.344
	N	40885	0.041	426.314	118.924	5.239
	ND2	19444	21.038	1114.29	112.923	12.907
ASP	H	62910	-0.35	25.876	8.301	0.594
	HA	44379	-3.75	8.66	4.586	0.327
	HB2	41555	-5.2	37.4	2.717	0.519
	HB3	39927	-1.46	37.2	2.667	0.527
	HD2	16	1.160	12.30	5.292	2.806
	C	40151	0.106	184.14	176.357	3.689
	CA	55673	5.630	354.531	54.692	2.780
	CB	52795	9.7	341.273	40.894	2.621
	CG	848	2.637	186.5	177.754	16.073
	N	60146	0.061	428.093	120.686	4.727
CYS	H	22253	3.723	12.660	8.379	0.700
	HA	18358	-9.858	43.5	4.681	0.993
	HB2	17736	-39.82	363.580	3.146	6.521
	HB3	17289	-44.2	363.580	3.067	5.911
	HG	232	-1.830	10.700	2.012	1.373
	C	10726	1.000	187.591	174.773	3.544
	CA	15997	30.6688	82.3	58.034	3.460
	CB	15238	17.99	73.920	33.350	6.500
	N	17550	-147	628	120.456	18.863
GLN	H	44741	0.000	66.542	8.217	0.661
	HA	31805	0.403	7.43	4.266	0.434
	HB2	29018	-1.514	10.461	2.042	0.278
	HB3	27632	-1.4980	20.9	2.012	0.329
	HE21	20464	-3.41	23.893	7.216	0.501
	HE22	20346	1.025	113.695	7.037	0.895
	HG2	27113	-1.76	33.5990	2.313	0.341
	HG3	25155	-1.395	34.946	2.292	0.366
	C	28965	0.069	1755.998	176.327	9.983
	CA	40201	1.733	356.830	56.567	2.675
	CB	37695	1.843	328.286	29.200	2.570
	CD	2475	6.789	183.929	179.325	7.202
	CG	23936	2.097	333.032	33.809	2.616
	N	42698	0.000	418.059	119.952	4.246
	NE2	18401	33.9	412.160	111.880	3.035
GLU	H	81503	0.008	122.9	8.331	0.759
	HA	57801	0.433	8.02	4.242	0.414
	HB2	52540	-1.470	4.82	2.018	0.223
	HB3	49438	-1.633	4.08	1.994	0.228
	HE2	15	0.801	11.96	5.088	2.703
	HG2	48586	-0.674	4.69	2.264	0.223
	HG3	45221	-0.10	4.69	2.244	0.226
	C	52955	0.074	184.71	176.812	4.430
	CA	72440	1.056	360.826	57.331	3.350
	CB	67689	9.08	330.834	30.024	3.240
	CD	887	0.000	198.609	180.827	15.823
	CG	43262	6.16	337.230	36.140	3.019
	N	78230	0.044	422.043	120.711	4.805
GLY	H	79026	-15.3	15.7	8.326	0.664
	HA2	55238	-3.4	8.64	3.961	0.399
	HA3	52573	-3.936	7.69	3.887	0.408
	C	50311	1.000	189.533	173.837	3.503
	CA	70394	2.200	344.994	45.378	2.222
	N	74125	0.2	791	109.703	7.260
HIS	H	22678	-0.3	13.34	8.258	0.734
	HA	16783	0.676	11.38	4.616	0.564
	HB2	15687	-2.168	45.897	3.159	1.124
	HB3	15251	-6.2	38.5	3.098	1.077
	HD1	985	-15	86.5	10.067	8.698
	HD2	11214	-25.85	67.8	7.155	3.319
	HE1	8851	-26.6	134.811	7.826	2.575
	HE2	378	-15	76.4	11.116	7.998
	C	14067	1.000	185.512	175.118	4.857
	CA	20386	11.40	355.084	56.526	3.455
	CB	19133	17.80	329.046	30.325	3.234
	CD2	7238	7.19	159.946	119.914	5.770
	CE1	5697	8.198	166.282	137.237	5.812
	CG	218	60.973	139.83	131.348	7.177
	N	21098	0.2	427.146	119.678	5.158
	ND1	773	31.026	261.013	193.072	33.057
	NE2	708	17.0	257.572	181.264	20.749
ILE	H	54956	0.008	11.871	8.264	0.694
	HA	39084	-9.0	173.538	4.168	1.027
	HB	36942	-2.442	38.700	1.782	0.404
	HG12	33629	-10.1	5.56	1.263	0.455
	HG13	32349	-10.1	9.71	1.192	0.488
	MD	36671	-4.15	13.891	0.670	0.336
	MG	35296	-3.919	6.23	0.768	0.307
	C	35363	0	187.551	175.786	4.624
	CA	49066	20.877	362.184	61.620	3.401
	CB	45865	-34.477	339.785	38.594	2.986
	CD1	32745	2.7	314.600	13.517	3.567
	CG1	29652	8.0	329.288	27.754	3.411
	CG2	31472	0.79	317.615	17.615	3.317
	N	52407	0.0000	531	121.440	6.130
LEU	H	90848	-0.3	13.220	8.219	0.652
	HA	64284	0.000	119.411	4.304	0.653
	HB2	59244	-1.522	8.02	1.607	0.361
	HB3	56862	-1.79	8.39	1.522	0.377
	HG	52595	-2.08	5.7	1.502	0.348
	MD1	59587	-3.42	30.176	0.748	0.334
	MD2	57282	-3.42	24.504	0.726	0.363
	C	58508	0.071	189.78	176.979	3.792
	CA	80892	1.056	158.320	55.652	2.245
	CB	75725	7.439	93.180	42.261	2.024
	CD1	51433	0.683	120.700	24.682	2.071
	CD2	49073	0.280	116.300	24.117	2.156
	CG	45691	0.000	75.280	26.807	1.515
	N	86334	0.044	627	121.971	8.025
LYS	H	76809	0.002	64.423	8.175	0.672
	HA	55529	-0.118	32.650	4.259	0.458
	HB2	50136	-1.416	10.94	1.773	0.267
	HB3	47258	-3.038	9.43	1.745	0.283
	HD2	40332	-1.6800	119.620	1.607	0.658
	HD3	36114	-2.02	29.047	1.595	0.275
	HE2	39690	-0.493	42.02	2.910	0.292
	HE3	34916	-0.046	7.344	2.903	0.224
	HG2	45401	-1.654	6.7	1.363	0.272
	HG3	41834	-1.83	5.575	1.347	0.283
	C	47331	0.112	996.253	176.596	5.954
	CA	66097	1.155	359.222	56.947	3.278
	CB	61704	-26.686	332.988	32.804	3.000
	CD	36489	0.834	329.284	28.997	2.700
	CE	35190	-0.130	342.334	41.926	3.128
	CG	38704	12.109	325.487	24.965	3.215
	N	71429	0.041	427.245	121.041	4.775
	NZ	284	1.950	177.2	50.192	31.719
	QZ	1544	-10.9	10.506	7.330	1.068
MET	H	21682	-0.21	177	8.258	1.300
	HA	15887	-0.93	313.565	4.411	2.500
	HB2	14279	-27.312	33.750	2.022	0.593
	HB3	13470	-27.312	12.94	1.993	0.530
	HG2	13107	-33.86	32.7	2.372	1.495
	HG3	12401	-33.86	31.7	2.346	1.610
	ME	10036	-24.86	10.2000	1.766	1.603
	C	14292	2.200	183.25	176.189	3.406
	CA	20248	25.7283	85.327	56.146	2.300
	CB	18714	0.2	332.173	32.973	3.292
	CE	9003	8.90	317.645	17.259	4.359
	CG	11169	2.30	332.686	32.072	3.313
	N	20867	0.000	428.252	120.057	5.119
PHE	H	39449	-0.5	12.1759	8.340	0.733
	HA	27647	1.33	59.70	4.618	0.735
	HB2	25863	-0.463	7.979	2.992	0.382
	HB3	25223	-0.212	12.72	2.934	0.402
	HD1	21853	0.603	12.154	7.035	0.403
	HD2	18386	0.603	12.154	7.036	0.417
	HE1	19098	-2.838	14.080	7.060	0.459
	HE2	16256	0	12.9	7.057	0.454
	HZ	13444	-7.14	43.623	6.992	0.728
	C	24856	0.088	184.929	175.452	3.136
	CA	34592	4.917	363.618	58.114	3.903
	CB	32512	2.161	341.700	39.968	3.703
	CD1	12991	7.160	143.4500	131.169	6.064
	CD2	9263	7.160	138.7	131.325	4.538
	CE1	11325	0.000	149.609	130.312	5.906
	CE2	8068	7.472	149.609	130.536	3.982
	CG	367	7.229	152.844	137.502	10.877
	CZ	8493	7.351	165.611	129.008	4.256
	N	37252	0.067	422.843	120.407	5.534
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	31567	0.636	135.80	4.388	0.820
	HB2	29415	-1.501	5.63	2.069	0.371
	HB3	28553	-3.48	6.10	1.996	0.383
	HD2	27239	-6.56	7.67	3.635	0.451
	HD3	26299	-6.56	8.865	3.601	0.474
	HG2	26518	-2.35	7.395	1.918	0.342
	HG3	24643	-1.520	4.92	1.894	0.351
	C	26379	0	183.517	176.628	4.549
	CA	38008	0	363.087	63.331	3.729
	CB	35508	0	333.586	31.896	3.261
	CD	23741	1.155	350.648	50.346	3.289
	CG	23655	2.436	327.402	27.282	3.817
	N	1802	3.566	430	134.516	26.496
SER	H	66460	-15.3	13.130	8.277	0.603
	HA	48311	1.277	58.739	4.478	0.479
	HB2	44359	0.61	9.182	3.868	0.279
	HB3	41168	0.61	41.7	3.842	0.347
	HG	872	0.13	11.36	5.429	1.200
	C	43048	0.000	197.1	174.585	3.349
	CA	60521	4.331	361.278	58.699	2.856
	CB	56194	-939.2800	365.087	63.720	5.153
	N	62726	0.000	416.964	116.299	4.301
THR	H	59280	0.02	21.7	8.236	0.641
	HA	42277	0.87	7.468	4.452	0.480
	HB	38952	0.087	71.587	4.167	0.666
	HG1	1532	-1.783	11.01	5.227	1.402
	MG	38797	-12.1	16.3	1.138	0.281
	C	37457	4.780	185.918	174.453	4.201
	CA	52405	0.971	92.659	62.211	2.770
	CB	48723	-939.2800	629.206	69.591	5.827
	CG2	32690	7.177	175.6	21.590	1.927
	N	56213	0.0	402	115.428	6.429
TRP	H	13138	3.421	17.315	8.268	0.782
	HA	9371	2.043	11.414	4.679	0.536
	HB2	8894	0.42	5.35	3.180	0.350
	HB3	8655	-0.3776	7.972	3.118	0.372
	HD1	7969	1.880	10.75	7.128	0.365
	HE1	8778	-1.279	131.711	10.090	1.473
	HE3	6919	1.85	11.362	7.296	0.521
	HH2	6860	2.84	10.900	6.950	0.459
	HZ2	7476	2.63	10.81	7.264	0.416
	HZ3	6680	0.76	8.898	6.847	0.475
	C	7903	2.500	184.30	175.961	6.234
	CA	11066	2.966	362.099	57.722	4.927
	CB	10364	1.6	328.795	30.096	4.911
	CD1	5059	30.236	183.141	126.313	4.544
	CD2	176	1.578	155.174	126.952	13.491
	CE2	234	56.4176	177.710	137.596	9.768
	CE3	4224	-10.872	174.807	120.155	5.652
	CG	235	4.174	116.526	110.040	9.436
	CH2	4459	-6.333	160.818	123.520	5.126
	CZ2	4815	7.107	159.041	114.022	4.703
	CZ3	4256	-8.702	161.540	121.139	4.743
	N	11951	6.712	423.160	121.653	6.157
	NE1	7182	0.53	435.960	129.266	6.427
TYR	H	33628	0.02	12.34	8.297	0.741
	HA	23882	0.442	7.160	4.609	0.564
	HB2	22361	-21.230	23.28	2.898	0.470
	HB3	21854	-21.230	23.28	2.833	0.488
	HD1	19411	0.190	10.5	6.919	0.376
	HD2	16508	0.5522	10.499	6.915	0.380
	HE1	18402	0.08	11.8	6.690	0.312
	HE2	15750	0.43	11.7	6.690	0.323
	HH	431	-0.788	31	9.095	2.099
	C	20630	2.200	184.78	175.357	4.850
	CA	28832	2.200	357.681	58.150	3.134
	CB	26780	18.38	338.686	39.311	3.138
	CD1	11729	19.589	141.572	132.362	5.276
	CD2	8036	3.492	139.644	132.359	5.267
	CE1	11542	40.435	177.717	117.708	4.132
	CE2	7947	34.1221	154.10	117.764	3.417
	CG	343	7.113	175.115	128.466	10.503
	CZ	269	6.839	165.718	155.405	14.171
	N	31157	0.2	818	120.788	12.377
VAL	H	72315	-0.41	15.050	8.272	0.682
	HA	51495	-2.83	54.971	4.167	0.632
	HB	48281	-27.480	31.75	1.978	0.456
	MG1	48115	-27.2	24.20	0.820	0.336
	MG2	47192	-27.2	56.56	0.800	0.436
	C	46892	1	205.699	175.628	3.504
	CA	64585	20.668	362.057	62.496	3.217
	CB	59969	15.597025	331.747	32.728	2.321
	CG1	42020	-7.4	321.185	21.553	2.483
	CG2	40524	-5.648	320.420	21.348	2.580
	N	69339	0.2	529	121.164	7.546