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	80469	-0.914	69.229	8.192	0.643
	HA	56349	-2.52	17.870	4.245	0.445
	MB	54206	-14.040	5.48	1.351	0.280
	C	52016	0.037	187.2	177.714	3.876
	CA	71286	17.007	354.698	53.171	2.833
	CB	67561	-40.993	318.868	19.056	3.137
	N	76534	0.049	766	123.343	6.188
ARG	H	53529	0.011	178	8.239	0.963
	HA	38489	1.212	12.57	4.290	0.471
	HB2	35038	-4.78	27.530	1.790	0.313
	HB3	33145	-1.320	27.530	1.758	0.324
	HD2	30814	-6.44	5.0	3.106	0.267
	HD3	28065	-0.690	5.0	3.090	0.287
	HE	10481	1.150	116.661	7.453	2.891
	HG2	31379	-1.45	4.2	1.559	0.284
	HG3	29120	-1.298	5.47	1.539	0.298
	HH11	957	4.41	11.7	6.940	0.579
	HH12	733	4.41	10.727	6.882	0.544
	HH21	816	1.233	11.352	6.826	0.655
	HH22	668	1.233	60.1410	6.904	2.159
	C	32887	0.174	184.96	176.403	3.443
	CA	46294	8.369	358.124	56.793	3.415
	CB	43152	16.52	329.120	30.699	2.553
	CD	26463	18.9350	342.642	43.199	3.002
	CG	26211	12.17	328.290	27.261	3.105
	CZ	710	43.199	184.497	160.260	6.583
	N	49432	0.125	433.808	120.808	4.785
	NE	6621	-23.150	149.1080	90.199	13.871
	NH1	273	6.450	124.7890	78.761	13.545
	NH2	235	66.2	128.470	78.660	14.238
ASN	H	44188	0.008	20.4	8.326	0.651
	HA	31896	0.896	7.110	4.661	0.364
	HB2	29987	-0.773	8.883	2.800	0.334
	HB3	28951	-0.948	5.137	2.742	0.361
	HD21	22611	0.783	111.320	7.338	0.859
	HD22	22343	0.905	111.320	7.144	0.877
	C	27749	0.114	185.3000	175.211	3.656
	CA	39020	2.200	354.022	53.551	3.609
	CB	36974	1.9620	342.798	38.730	3.694
	CG	2547	0.000	183.8	176.377	7.317
	N	41307	0.041	426.314	118.923	5.227
	ND2	19537	21.038	1114.29	112.920	12.877
ASP	H	63590	-0.35	25.876	8.301	0.594
	HA	44668	-3.75	8.66	4.585	0.327
	HB2	41797	-5.2	37.4	2.717	0.518
	HB3	40167	-1.46	37.2	2.667	0.526
	HD2	16	1.160	12.30	5.292	2.806
	C	40637	0.106	184.14	176.356	3.672
	CA	56234	5.630	354.531	54.690	2.774
	CB	53309	9.7	341.273	40.892	2.614
	CG	861	2.637	186.5	177.743	15.955
	N	60806	0.061	428.093	120.687	4.717
CYS	H	22479	3.723	12.660	8.379	0.698
	HA	18539	-9.858	43.5	4.680	0.990
	HB2	17902	-39.82	363.580	3.143	6.491
	HB3	17446	-44.2	363.580	3.064	5.885
	HG	236	-1.830	10.700	2.015	1.364
	C	10817	1.000	187.591	174.771	3.535
	CA	16134	30.6688	82.3	58.040	3.459
	CB	15365	17.99	73.920	33.330	6.495
	N	17685	-147	628	120.452	18.794
GLN	H	45265	0.000	66.542	8.218	0.661
	HA	32024	0.403	7.43	4.265	0.434
	HB2	29219	-1.514	10.461	2.042	0.278
	HB3	27817	-1.4980	20.9	2.012	0.329
	HE21	20601	-3.41	23.893	7.216	0.501
	HE22	20479	1.025	113.695	7.037	0.893
	HG2	27298	-1.76	33.5990	2.313	0.341
	HG3	25325	-1.395	34.946	2.292	0.366
	C	29320	0.069	1755.998	176.326	9.925
	CA	40656	1.733	356.830	56.566	2.670
	CB	38092	1.843	328.286	29.197	2.565
	CD	2509	6.789	183.929	179.333	7.154
	CG	24113	2.097	333.032	33.809	2.608
	N	43244	0.000	418.059	119.953	4.235
	NE2	18529	33.9	412.160	111.881	3.028
GLU	H	82576	0.008	122.9	8.330	0.757
	HA	58269	0.433	8.02	4.241	0.414
	HB2	52947	-1.470	4.82	2.018	0.223
	HB3	49835	-1.633	4.08	1.994	0.228
	HE2	15	0.801	11.96	5.088	2.703
	HG2	48964	-0.674	4.69	2.263	0.223
	HG3	45597	-0.10	4.69	2.245	0.225
	C	53587	0.074	184.71	176.814	4.409
	CA	73212	1.056	360.826	57.330	3.340
	CB	68394	9.08	330.834	30.023	3.228
	CD	899	0.000	198.609	180.850	15.719
	CG	43625	6.16	337.230	36.140	3.008
	N	79236	0.044	422.043	120.706	4.787
GLY	H	79783	-15.3	15.7	8.326	0.665
	HA2	55585	-3.4	8.64	3.961	0.399
	HA3	52926	-3.936	7.69	3.887	0.407
	C	50815	1.000	189.533	173.836	3.491
	CA	71025	2.200	344.994	45.377	2.216
	N	74863	0.2	791	109.699	7.234
HIS	H	22896	-0.3	13.34	8.258	0.734
	HA	16884	0.676	11.38	4.616	0.564
	HB2	15776	-2.168	45.897	3.159	1.121
	HB3	15338	-6.2	38.5	3.097	1.074
	HD1	988	-15	86.5	10.061	8.686
	HD2	11261	-25.85	67.8	7.154	3.313
	HE1	8886	-26.6	134.811	7.826	2.570
	HE2	380	-15	76.4	11.119	7.977
	C	14194	1.000	185.512	175.118	4.840
	CA	20563	11.40	355.084	56.523	3.447
	CB	19300	17.80	329.046	30.325	3.229
	CD2	7271	7.19	159.946	119.915	5.759
	CE1	5724	8.198	166.282	137.237	5.799
	CG	220	60.973	139.83	131.311	7.155
	N	21307	0.2	427.146	119.673	5.204
	ND1	776	31.026	261.013	193.046	33.000
	NE2	713	17.0	257.572	181.202	20.691
ILE	H	55585	0.008	11.871	8.263	0.694
	HA	39329	-9.0	173.538	4.168	1.024
	HB	37140	-2.442	38.700	1.782	0.403
	HG12	33815	-10.1	5.56	1.263	0.455
	HG13	32529	-10.1	9.71	1.192	0.487
	MD	36997	-4.15	13.891	0.670	0.335
	MG	35489	-3.919	6.23	0.768	0.307
	C	35748	0	187.551	175.787	4.604
	CA	49508	20.877	362.184	61.619	3.397
	CB	46254	-34.477	339.785	38.593	2.980
	CD1	33061	2.7	314.600	13.513	3.555
	CG1	29846	8.0	329.288	27.754	3.402
	CG2	31672	0.79	317.615	17.614	3.307
	N	53001	0.0000	531	121.437	6.114
LEU	H	91907	-0.3	13.220	8.219	0.652
	HA	64737	0.000	119.411	4.304	0.652
	HB2	59635	-1.522	8.02	1.607	0.361
	HB3	57248	-1.79	8.39	1.522	0.377
	HG	52935	-2.08	5.7	1.502	0.348
	MD1	60103	-3.42	30.176	0.748	0.333
	MD2	57760	-3.42	24.504	0.726	0.362
	C	59172	0.071	189.78	176.977	3.778
	CA	81682	1.056	158.320	55.650	2.245
	CB	76441	7.439	93.180	42.258	2.024
	CD1	51933	0.683	120.700	24.678	2.068
	CD2	49527	0.280	116.300	24.117	2.152
	CG	46005	0.000	75.280	26.806	1.512
	N	87315	0.044	627	121.964	7.991
LYS	H	77607	0.002	64.423	8.174	0.672
	HA	55906	-0.118	32.650	4.258	0.458
	HB2	50459	-1.416	10.94	1.773	0.267
	HB3	47573	-3.038	9.43	1.745	0.283
	HD2	40594	-1.6800	119.620	1.607	0.656
	HD3	36364	-2.02	29.047	1.595	0.275
	HE2	39953	-0.493	42.02	2.910	0.292
	HE3	35165	-0.046	7.344	2.902	0.224
	HG2	45697	-1.654	6.7	1.362	0.272
	HG3	42130	-1.83	5.575	1.347	0.283
	C	47834	0.112	996.253	176.597	5.926
	CA	66704	1.155	359.222	56.947	3.270
	CB	62260	-26.686	332.988	32.800	2.992
	CD	36752	0.834	329.284	28.996	2.692
	CE	35448	-0.130	342.334	41.926	3.117
	CG	38995	12.109	325.487	24.964	3.204
	N	72171	0.041	427.245	121.039	4.766
	NZ	289	1.950	177.2	49.876	31.534
	QZ	1553	-10.9	10.506	7.331	1.065
MET	H	21888	-0.21	177	8.257	1.295
	HA	15982	-0.93	313.565	4.411	2.493
	HB2	14354	-27.312	33.750	2.022	0.592
	HB3	13543	-27.312	12.94	1.994	0.529
	HG2	13180	-33.86	32.7	2.372	1.491
	HG3	12473	-33.86	31.7	2.347	1.605
	ME	10084	-24.86	10.2000	1.767	1.599
	C	14434	2.200	183.25	176.191	3.396
	CA	20416	25.7283	85.327	56.145	2.298
	CB	18865	0.2	332.173	32.972	3.284
	CE	9052	8.90	317.645	17.257	4.348
	CG	11244	2.30	332.686	32.071	3.303
	N	21063	0.000	428.252	120.054	5.103
PHE	H	39830	-0.5	12.1759	8.340	0.733
	HA	27826	1.33	59.70	4.618	0.734
	HB2	26017	-0.463	7.979	2.992	0.382
	HB3	25376	-0.212	12.72	2.934	0.401
	HD1	21947	0.603	12.154	7.035	0.402
	HD2	18484	0.603	12.154	7.036	0.416
	HE1	19178	-2.838	14.080	7.060	0.458
	HE2	16334	0	12.9	7.057	0.453
	HZ	13492	-7.14	43.623	6.993	0.727
	C	25117	0.088	184.929	175.448	3.127
	CA	34902	4.917	363.618	58.111	3.894
	CB	32784	2.161	341.700	39.966	3.693
	CD1	13042	7.160	143.4500	131.169	6.053
	CD2	9292	7.160	138.7	131.324	4.531
	CE1	11368	0.000	149.609	130.313	5.895
	CE2	8082	7.472	149.609	130.536	3.978
	CG	369	7.229	152.844	137.500	10.848
	CZ	8532	7.351	165.611	129.006	4.247
	N	37598	0.067	422.843	120.405	5.523
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	31761	0.636	135.80	4.388	0.818
	HB2	29591	-1.501	5.63	2.069	0.371
	HB3	28725	-3.48	6.10	1.996	0.383
	HD2	27399	-6.56	7.67	3.636	0.450
	HD3	26454	-6.56	8.865	3.601	0.473
	HG2	26673	-2.35	7.395	1.918	0.342
	HG3	24791	-1.520	4.92	1.894	0.350
	C	26674	0	183.517	176.626	4.526
	CA	38358	0	363.087	63.329	3.715
	CB	35831	0	333.586	31.895	3.249
	CD	23887	1.155	350.648	50.345	3.279
	CG	23804	2.436	327.402	27.281	3.806
	N	1809	3.566	430	134.505	26.447
SER	H	67108	-15.3	13.13	8.277	0.604
	HA	48656	1.277	58.739	4.477	0.478
	HB2	44655	0.61	9.182	3.867	0.278
	HB3	41455	0.61	41.7	3.843	0.347
	HG	876	0.13	11.36	5.427	1.199
	C	43516	0.000	197.1	174.584	3.336
	CA	61091	4.331	361.278	58.696	2.851
	CB	56720	-939.2800	365.087	63.721	5.132
	N	63381	0.000	416.964	116.299	4.295
THR	H	59825	0.02	21.7	8.235	0.641
	HA	42509	0.87	7.468	4.452	0.480
	HB	39145	0.087	71.587	4.166	0.664
	HG1	1535	-1.783	11.01	5.224	1.405
	MG	38979	-12.1	16.3	1.138	0.281
	C	37812	4.780	185.918	174.452	4.186
	CA	52848	0.971	92.659	62.209	2.769
	CB	49117	-939.2800	629.206	69.591	5.808
	CG2	32870	7.177	175.6	21.589	1.923
	N	56758	0.0	402	115.424	6.417
TRP	H	13228	3.421	17.315	8.268	0.783
	HA	9416	2.043	11.414	4.679	0.536
	HB2	8927	0.42	5.35	3.180	0.350
	HB3	8688	-0.3776	7.972	3.118	0.371
	HD1	7993	1.880	10.75	7.128	0.365
	HE1	8814	-1.279	131.711	10.091	1.470
	HE3	6937	1.85	11.362	7.296	0.521
	HH2	6881	2.84	10.900	6.950	0.458
	HZ2	7499	2.63	10.81	7.265	0.415
	HZ3	6700	0.76	8.898	6.847	0.476
	C	7975	2.500	184.30	175.958	6.209
	CA	11154	2.966	362.099	57.720	4.913
	CB	10446	1.6	328.795	30.096	4.897
	CD1	5083	30.236	183.141	126.313	4.535
	CD2	178	1.578	155.174	126.993	13.420
	CE2	236	56.4176	177.710	137.583	9.728
	CE3	4245	-10.872	174.807	120.156	5.639
	CG	237	4.174	116.526	110.033	9.397
	CH2	4483	-6.333	160.818	123.522	5.113
	CZ2	4840	7.107	159.041	114.023	4.692
	CZ3	4279	-8.702	161.540	121.142	4.731
	N	12039	6.712	423.160	121.649	6.143
	NE1	7217	0.53	435.960	129.266	6.413
TYR	H	33961	0.02	12.34	8.297	0.741
	HA	24034	0.442	7.160	4.609	0.564
	HB2	22492	-21.230	23.28	2.898	0.469
	HB3	21985	-21.230	23.28	2.833	0.487
	HD1	19495	0.190	10.5	6.919	0.375
	HD2	16591	0.5522	10.499	6.915	0.380
	HE1	18489	0.08	11.8	6.690	0.311
	HE2	15837	0.43	11.7	6.690	0.322
	HH	433	-0.788	31	9.103	2.098
	C	20857	2.200	184.78	175.358	4.829
	CA	29103	2.200	357.681	58.150	3.130
	CB	27029	18.38	338.686	39.308	3.131
	CD1	11789	19.589	141.572	132.362	5.263
	CD2	8081	3.492	139.644	132.360	5.253
	CE1	11606	40.435	177.717	117.707	4.122
	CE2	7987	34.1221	154.10	117.764	3.410
	CG	349	7.113	175.115	128.482	10.412
	CZ	272	6.839	165.718	155.403	14.093
	N	31488	0.2	818	120.788	12.319
VAL	H	73121	-0.41	15.050	8.272	0.683
	HA	51809	-2.83	54.971	4.168	0.632
	HB	48531	-27.480	31.75	1.978	0.455
	MG1	48469	-27.2	24.20	0.820	0.336
	MG2	47542	-27.2	56.56	0.801	0.435
	C	47369	1	205.699	175.625	3.492
	CA	65162	20.668	362.057	62.493	3.215
	CB	60479	15.597025	331.747	32.727	2.318
	CG1	42378	-7.4	321.185	21.551	2.476
	CG2	40853	-5.648	320.420	21.349	2.574
	N	70106	0.2	529	121.161	7.519