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	76504	-0.914	69.229	8.192	0.646
	HA	54491	-2.52	17.870	4.245	0.445
	MB	52337	-14.040	5.48	1.351	0.281
	C	49447	0.037	187.2	177.742	3.404
	CA	67797	17.007	354.698	53.171	2.862
	CB	64276	-40.993	318.868	19.064	3.190
	N	72547	0.049	766	123.343	6.302
ARG	H	50858	0.011	178	8.240	0.979
	HA	37137	1.212	12.57	4.291	0.472
	HB2	33784	-4.78	27.530	1.790	0.314
	HB3	31953	-1.126	27.530	1.758	0.326
	HD2	29743	-6.44	5.0	3.106	0.267
	HD3	27106	-0.690	5.0	3.090	0.289
	HE	10147	1.150	116.661	7.454	2.936
	HG2	30285	-1.45	4.2	1.559	0.286
	HG3	28110	-1.298	5.47	1.539	0.300
	HH11	936	4.41	11.7	6.932	0.571
	HH12	722	4.41	10.727	6.875	0.527
	HH21	795	1.233	11.352	6.825	0.661
	HH22	661	1.233	60.1410	6.904	2.170
	C	31300	0.174	184.96	176.415	3.211
	CA	43965	8.369	358.124	56.793	3.463
	CB	40967	17.736	329.120	30.707	2.582
	CD	25515	18.9350	342.642	43.200	3.054
	CG	25244	12.17	328.290	27.264	3.157
	CZ	694	43.199	184.497	160.264	6.641
	N	46885	0.125	433.808	120.796	4.843
	NE	6444	-23.150	149.1080	90.218	13.905
	NH1	254	6.450	124.7890	79.062	13.884
	NH2	221	66.2	128.470	78.965	14.537
ASN	H	42013	0.008	20.4	8.327	0.652
	HA	30795	0.896	7.110	4.661	0.364
	HB2	28960	-0.773	8.883	2.800	0.334
	HB3	27943	-0.948	5.137	2.743	0.362
	HD21	21966	0.783	111.320	7.338	0.868
	HD22	21705	0.905	111.320	7.144	0.885
	C	26360	0.114	185.3000	175.247	2.996
	CA	37103	2.200	354.022	53.560	3.676
	CB	35168	1.9620	342.798	38.737	3.769
	CG	2457	0.000	183.8	176.362	7.446
	N	39165	0.041	426.314	118.927	5.285
	ND2	18963	21.038	1114.29	112.924	13.065
ASP	H	60452	-0.35	25.876	8.301	0.595
	HA	43190	-3.75	8.66	4.586	0.328
	HB2	40411	-5.2	37.4	2.717	0.525
	HB3	38820	-1.46	37.2	2.667	0.532
	HD2	14	1.160	12.30	5.245	2.982
	C	38561	0.106	184.14	176.373	3.427
	CA	53407	5.630	354.531	54.693	2.803
	CB	50660	9.7	341.273	40.898	2.656
	CG	822	2.637	186.5	177.689	16.320
	N	57637	0.061	428.093	120.686	4.763
CYS	H	21472	3.723	12.660	8.377	0.701
	HA	17855	-9.858	43.5	4.681	1.004
	HB2	17250	-39.82	363.580	3.151	6.612
	HB3	16811	-44.2	363.580	3.071	5.994
	HG	228	-1.830	10.700	2.002	1.383
	C	10317	1.000	187.591	174.801	3.280
	CA	15370	30.6688	82.3	58.054	3.461
	CB	14629	17.99	73.920	33.294	6.482
	N	16826	-147	628	120.464	19.246
GLN	H	42921	0.000	66.542	8.216	0.664
	HA	30875	0.403	7.43	4.266	0.434
	HB2	28120	-1.514	10.461	2.043	0.279
	HB3	26777	-1.4980	20.9	2.013	0.331
	HE21	19993	-3.41	23.893	7.215	0.502
	HE22	19884	1.025	113.695	7.037	0.903
	HG2	26307	-1.76	33.5990	2.313	0.343
	HG3	24395	-1.395	34.946	2.293	0.368
	C	27831	0.069	1755.998	176.348	10.029
	CA	38529	1.733	356.830	56.566	2.693
	CB	36109	1.843	328.286	29.208	2.598
	CD	2395	6.789	183.54	179.327	7.317
	CG	23183	2.097	333.032	33.812	2.651
	N	40879	0.000	418.059	119.941	4.278
	NE2	17962	33.9	412.160	111.881	3.061
GLU	H	78312	0.008	122.9	8.331	0.765
	HA	56215	0.433	8.02	4.241	0.414
	HB2	51047	-1.470	4.82	2.017	0.223
	HB3	48024	-1.633	4.08	1.994	0.229
	HE2	15	0.801	11.96	5.088	2.703
	HG2	47238	-0.674	4.69	2.263	0.223
	HG3	43957	-0.10	4.69	2.244	0.226
	C	50985	0.074	184.71	176.839	3.965
	CA	69570	1.056	360.826	57.337	3.390
	CB	65037	9.08	330.834	30.026	3.288
	CD	857	0.000	198.609	180.752	16.091
	CG	41914	6.16	337.230	36.144	3.060
	N	75015	0.044	422.043	120.707	4.856
GLY	H	76045	-15.3	15.7	8.326	0.666
	HA2	53770	-3.4	8.64	3.962	0.400
	HA3	51153	-3.936	7.69	3.888	0.409
	C	48407	1.000	189.533	173.836	3.554
	CA	67606	2.200	344.994	45.381	2.253
	N	71165	0.2	791	109.711	7.375
HIS	H	21895	-0.3	13.34	8.258	0.737
	HA	16382	0.676	11.38	4.615	0.567
	HB2	15309	-2.168	45.897	3.162	1.136
	HB3	14887	-6.2	38.5	3.100	1.088
	HD1	976	-15	86.5	10.076	8.733
	HD2	10974	-25.85	67.8	7.158	3.355
	HE1	8674	-26.6	134.811	7.824	2.600
	HE2	374	-15	76.4	11.124	8.031
	C	13589	1.000	184.204	175.148	4.443
	CA	19655	11.40	355.084	56.533	3.489
	CB	18447	17.80	329.046	30.327	3.264
	CD2	7054	7.19	159.946	119.912	5.829
	CE1	5555	8.198	166.282	137.238	5.871
	CG	213	60.973	139.83	131.383	7.256
	N	20327	0.2	427.146	119.673	5.190
	ND1	744	31.026	261.013	192.674	33.354
	NE2	679	17.0	257.572	181.202	20.883
ILE	H	52746	0.008	11.871	8.264	0.695
	HA	37946	-9.0	173.538	4.169	1.038
	HB	35839	-2.442	38.700	1.781	0.407
	HG12	32658	-10.1	5.56	1.263	0.458
	HG13	31416	-10.1	9.71	1.191	0.490
	MD	35463	-4.15	13.891	0.670	0.337
	MG	34247	-3.919	6.23	0.768	0.308
	C	34034	0	187.551	175.812	4.276
	CA	47115	20.877	362.184	61.624	3.427
	CB	44057	-34.477	339.785	38.601	3.020
	CD1	31530	2.7	314.600	13.525	3.621
	CG1	28673	8.0	329.288	27.757	3.454
	CG2	30440	0.79	317.615	17.616	3.364
	N	50194	0.0000	531	121.440	6.188
LEU	H	87408	-0.3	13.220	8.219	0.654
	HA	62526	0.000	119.411	4.305	0.658
	HB2	57579	-1.522	8.02	1.606	0.362
	HB3	55249	-1.79	8.39	1.521	0.378
	HG	51211	-2.08	5.7	1.502	0.348
	MD1	57773	-3.42	30.176	0.748	0.335
	MD2	55551	-3.42	24.504	0.725	0.365
	C	56341	0.071	189.78	176.989	3.544
	CA	77810	1.056	158.320	55.650	2.245
	CB	72834	7.439	93.180	42.267	2.028
	CD1	49776	0.683	120.700	24.690	2.086
	CD2	47481	0.280	116.300	24.121	2.172
	CG	44308	0.000	75.280	26.811	1.527
	N	82895	0.044	627	121.976	8.154
LYS	H	73656	0.002	64.423	8.174	0.653
	HA	53926	-0.118	32.650	4.259	0.459
	HB2	48629	-1.416	10.94	1.773	0.268
	HB3	45843	-3.038	9.43	1.745	0.284
	HD2	39153	-1.6800	119.620	1.606	0.667
	HD3	35082	-2.02	29.047	1.594	0.276
	HE2	38540	-0.493	42.02	2.910	0.295
	HE3	33914	-0.046	7.344	2.902	0.224
	HG2	44048	-1.654	6.7	1.362	0.273
	HG3	40602	-1.83	5.575	1.347	0.284
	C	45437	0.112	996.253	176.606	5.879
	CA	63313	1.155	359.222	56.949	3.318
	CB	59074	-26.686	332.988	32.807	3.042
	CD	35312	0.834	329.284	28.997	2.736
	CE	34129	-0.130	342.334	41.925	3.172
	CG	37414	12.109	325.487	24.971	3.264
	N	68300	0.041	427.245	121.030	4.820
	NZ	271	1.950	177.2	48.042	29.780
	QZ	1509	-10.9	10.506	7.326	1.080
MET	H	20905	-0.21	177	8.257	1.319
	HA	15502	-0.93	313.565	4.412	2.530
	HB2	13932	-27.312	33.750	2.022	0.598
	HB3	13138	-27.312	12.94	1.993	0.535
	HG2	12800	-33.86	32.7	2.371	1.512
	HG3	12106	-33.86	31.7	2.344	1.628
	ME	9805	-24.86	10.2000	1.764	1.620
	C	13815	2.200	183.25	176.202	3.224
	CA	19510	25.7283	85.327	56.147	2.304
	CB	18031	0.2	332.173	32.974	3.328
	CE	8786	8.90	317.645	17.257	4.394
	CG	10867	2.30	332.686	32.077	3.352
	N	20082	0.000	428.252	120.057	5.171
PHE	H	37945	-0.5	12.1759	8.337	0.733
	HA	26955	1.45	59.70	4.618	0.739
	HB2	25201	0.159	7.979	2.991	0.382
	HB3	24586	-0.212	12.72	2.934	0.402
	HD1	21406	0.603	12.154	7.035	0.405
	HD2	17967	0.603	12.154	7.036	0.419
	HE1	18726	-2.838	14.080	7.060	0.462
	HE2	15888	0	12.9	7.057	0.457
	HZ	13195	-7.14	43.623	6.993	0.733
	C	23992	0.088	184.929	175.455	3.170
	CA	33247	4.917	363.618	58.120	3.947
	CB	31271	2.161	341.700	39.974	3.753
	CD1	12668	7.160	143.4500	131.158	6.136
	CD2	9039	7.160	138.7	131.318	4.588
	CE1	11055	0.000	144.992	130.302	5.970
	CE2	7863	7.472	139.70	130.528	4.022
	CG	365	7.229	152.844	137.506	10.905
	CZ	8305	7.351	139.132	128.995	4.281
	N	35754	0.067	422.843	120.400	5.588
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	30788	0.636	135.80	4.388	0.828
	HB2	28698	-1.501	5.63	2.069	0.372
	HB3	27863	-3.48	6.10	1.996	0.384
	HD2	26618	-6.56	7.67	3.634	0.454
	HD3	25707	-6.56	8.865	3.599	0.477
	HG2	25909	-2.35	7.395	1.917	0.344
	HG3	24081	-1.520	4.92	1.893	0.352
	C	25399	0	183.517	176.644	4.337
	CA	36610	0	363.087	63.336	3.786
	CB	34264	0	333.586	31.900	3.311
	CD	23077	1.155	350.648	50.344	3.332
	CG	22996	2.436	327.402	27.284	3.866
	N	1683	3.566	430	134.417	27.383
SER	H	63796	-15.3	13.130	8.277	0.606
	HA	47004	1.277	58.739	4.478	0.481
	HB2	43111	0.61	9.182	3.867	0.280
	HB3	40006	0.61	41.7	3.842	0.349
	HG	842	0.13	11.36	5.437	1.210
	C	41367	0.000	197.1	174.596	3.178
	CA	58019	4.331	361.278	58.704	2.872
	CB	53891	-939.2800	365.087	63.717	5.253
	N	60023	0.000	416.964	116.297	4.336
THR	H	56805	0.02	21.7	8.235	0.642
	HA	41124	0.87	7.468	4.452	0.481
	HB	37891	0.087	68.14	4.165	0.577
	HG1	1491	-1.783	11.01	5.235	1.410
	MG	37757	-12.1	16.3	1.138	0.283
	C	35920	4.780	185.918	174.474	3.984
	CA	50162	0.971	92.659	62.220	2.777
	CB	46665	-939.2800	629.206	69.594	5.937
	CG2	31627	7.177	175.6	21.595	1.936
	N	53716	0.0	402	115.427	6.495
TRP	H	12666	3.421	17.315	8.268	0.782
	HA	9138	2.043	11.414	4.680	0.537
	HB2	8666	0.42	5.35	3.179	0.350
	HB3	8432	-0.3776	7.972	3.117	0.372
	HD1	7777	1.880	10.75	7.129	0.365
	HE1	8551	-1.279	131.711	10.088	1.490
	HE3	6757	1.85	11.362	7.295	0.524
	HH2	6704	2.84	10.900	6.950	0.461
	HZ2	7305	2.63	10.81	7.265	0.416
	HZ3	6526	0.76	8.898	6.845	0.478
	C	7608	2.500	184.30	176.089	4.542
	CA	10626	2.966	362.099	57.731	5.003
	CB	9975	1.6	328.795	30.114	4.990
	CD1	4907	30.236	158.329	126.295	4.532
	CD2	171	1.578	155.174	126.841	13.672
	CE2	228	56.4176	177.710	137.574	9.895
	CE3	4102	-10.872	174.807	120.124	5.687
	CG	231	4.174	116.526	110.016	9.515
	CH2	4328	-6.333	160.818	123.505	5.193
	CZ2	4672	7.107	144.030	113.998	4.715
	CZ3	4127	-8.702	161.540	121.108	4.755
	N	11480	6.712	423.160	121.674	6.219
	NE1	6990	0.53	435.960	129.264	6.507
TYR	H	32419	0.02	12.34	8.297	0.740
	HA	23275	0.442	7.160	4.610	0.565
	HB2	21777	-21.230	23.28	2.897	0.472
	HB3	21288	-21.230	23.28	2.834	0.489
	HD1	18961	0.190	10.5	6.918	0.377
	HD2	16090	0.5522	10.499	6.914	0.382
	HE1	17995	0.08	11.8	6.690	0.313
	HE2	15373	0.43	11.7	6.690	0.325
	HH	427	-0.788	31	9.088	2.105
	C	19866	2.200	184.78	175.386	4.449
	CA	27753	2.200	357.681	58.155	3.155
	CB	25798	18.38	338.686	39.315	3.168
	CD1	11423	19.589	141.572	132.354	5.340
	CD2	7816	3.492	139.644	132.351	5.336
	CE1	11255	40.435	177.717	117.700	4.142
	CE2	7730	34.1221	154.10	117.745	3.411
	CG	332	7.113	175.115	128.471	10.663
	CZ	265	6.839	165.718	155.368	14.275
	N	29969	0.2	818	120.797	12.594
VAL	H	69524	-0.41	15.050	8.273	0.683
	HA	50157	-2.83	54.971	4.167	0.633
	HB	47010	-27.480	31.75	1.978	0.457
	MG1	46731	-27.2	24.20	0.820	0.338
	MG2	45883	-27.2	56.56	0.800	0.440
	C	45150	1	205.699	175.653	3.005
	CA	62021	20.668	362.057	62.507	3.223
	CB	57619	15.597025	331.747	32.734	2.332
	CG1	40637	-7.4	321.185	21.559	2.502
	CG2	39226	-5.648	320.420	21.350	2.600
	N	66514	0.2	529	121.172	7.651