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	75291	-0.914	69.229	8.192	0.647
	HA	53940	-2.52	17.870	4.245	0.445
	MB	51767	-14.040	5.48	1.351	0.281
	C	48738	0.037	187.2	177.737	3.421
	CA	66752	17.007	354.698	53.169	2.874
	CB	63262	-40.993	318.868	19.064	3.209
	N	71355	0.049	766	123.342	6.340
ARG	H	50018	0.011	178	8.240	0.984
	HA	36734	1.212	12.57	4.290	0.473
	HB2	33422	-4.78	27.530	1.790	0.315
	HB3	31600	-1.126	27.530	1.757	0.327
	HD2	29414	-6.44	4.692	3.106	0.268
	HD3	26785	-0.690	4.788	3.089	0.290
	HE	10048	1.150	116.661	7.453	2.950
	HG2	29952	-1.45	4.2	1.559	0.286
	HG3	27778	-1.298	5.47	1.538	0.300
	HH11	926	4.41	10.675	6.928	0.552
	HH12	714	4.41	10.727	6.875	0.530
	HH21	788	1.233	11.352	6.826	0.664
	HH22	653	1.233	60.1410	6.899	2.179
	C	30811	0.174	184.96	176.412	3.228
	CA	43210	8.369	358.124	56.793	3.480
	CB	40267	17.736	329.120	30.706	2.593
	CD	25203	18.9350	342.642	43.197	3.071
	CG	24927	12.17	328.290	27.260	3.171
	CZ	686	43.199	184.497	160.271	6.679
	N	46068	0.125	433.808	120.792	4.858
	NE	6375	-23.150	149.1080	90.213	13.902
	NH1	254	6.450	124.7890	79.062	13.884
	NH2	221	66.2	128.470	78.965	14.537
ASN	H	41343	0.008	20.4	8.328	0.653
	HA	30473	0.896	7.110	4.661	0.365
	HB2	28672	-0.773	8.883	2.800	0.335
	HB3	27657	-0.948	5.137	2.742	0.362
	HD21	21717	0.783	111.320	7.338	0.872
	HD22	21461	0.905	111.320	7.144	0.889
	C	26000	0.114	185.3000	175.244	3.010
	CA	36497	2.200	354.022	53.558	3.699
	CB	34606	1.9620	342.798	38.736	3.792
	CG	2442	0.000	183.8	176.361	7.468
	N	38514	0.041	426.314	118.926	5.309
	ND2	18737	21.038	1114.29	112.930	13.142
ASP	H	59576	-0.35	25.876	8.301	0.595
	HA	42760	-3.75	8.66	4.586	0.329
	HB2	40029	-5.2	37.4	2.717	0.527
	HB3	38443	-1.46	37.2	2.667	0.535
	HD2	14	1.160	12.30	5.245	2.982
	C	38070	0.106	184.14	176.370	3.445
	CA	52653	5.630	354.531	54.691	2.813
	CB	49947	9.7	341.273	40.895	2.669
	CG	820	2.637	186.5	177.685	16.339
	N	56778	0.061	428.093	120.678	4.778
CYS	H	21108	3.723	12.660	8.377	0.700
	HA	17641	-9.858	43.5	4.680	1.008
	HB2	17046	-39.82	363.580	3.154	6.651
	HB3	16607	-44.2	363.580	3.073	6.031
	HG	220	-1.830	10.700	1.992	1.393
	C	10145	1.000	187.591	174.804	3.298
	CA	15062	30.6688	82.3	58.060	3.461
	CB	14340	17.99	73.920	33.237	6.452
	N	16483	-147	628	120.475	19.437
GLN	H	42186	0.006	66.542	8.216	0.664
	HA	30514	1.567	7.43	4.266	0.434
	HB2	27820	-1.514	10.461	2.042	0.280
	HB3	26475	-1.4980	20.9	2.013	0.331
	HE21	19744	-3.41	23.893	7.214	0.503
	HE22	19636	1.025	113.695	7.038	0.908
	HG2	26020	-1.76	33.5990	2.313	0.344
	HG3	24110	-1.395	34.946	2.292	0.370
	C	27386	0.069	1755.998	176.345	10.108
	CA	37877	1.733	356.830	56.564	2.703
	CB	35520	1.843	328.286	29.205	2.609
	CD	2359	6.789	183.54	179.319	7.371
	CG	22905	2.097	333.032	33.809	2.666
	N	40166	0.079	418.059	119.942	4.205
	NE2	17728	33.9	412.160	111.881	3.074
GLU	H	77100	0.008	122.9	8.330	0.768
	HA	55676	0.433	8.02	4.241	0.414
	HB2	50590	-1.470	4.82	2.018	0.223
	HB3	47575	-1.633	4.08	1.994	0.229
	HE2	15	0.801	11.96	5.088	2.703
	HG2	46813	-0.674	4.69	2.264	0.223
	HG3	43538	-0.10	4.69	2.244	0.226
	C	50282	0.074	184.71	176.834	3.987
	CA	68581	1.056	360.826	57.337	3.406
	CB	64130	9.08	330.834	30.025	3.305
	CD	854	0.000	198.609	180.746	16.118
	CG	41503	6.16	337.230	36.142	3.074
	N	73810	0.044	422.043	120.701	4.877
GLY	H	74917	-15.3	15.7	8.325	0.667
	HA2	53240	-3.4	8.64	3.961	0.400
	HA3	50631	-3.936	7.69	3.889	0.410
	C	47781	1.000	189.533	173.834	3.573
	CA	66665	2.200	344.994	45.378	2.264
	N	70072	0.2	791	109.713	7.419
HIS	H	21542	-0.3	13.34	8.258	0.738
	HA	16212	0.676	11.38	4.615	0.569
	HB2	15154	-2.168	45.897	3.162	1.141
	HB3	14736	-6.2	38.5	3.100	1.093
	HD1	971	-15	86.5	10.081	8.754
	HD2	10853	-25.85	67.8	7.160	3.374
	HE1	8593	-26.6	134.811	7.822	2.611
	HE2	366	-15	76.4	11.178	8.107
	C	13420	1.000	184.204	175.147	4.465
	CA	19329	11.40	355.084	56.535	3.505
	CB	18149	17.80	329.046	30.318	3.278
	CD2	6984	7.19	159.946	119.903	5.846
	CE1	5497	8.198	166.282	137.227	5.900
	CG	213	60.973	139.83	131.383	7.256
	N	19996	0.2	427.146	119.670	5.203
	ND1	729	31.026	261.013	192.890	33.604
	NE2	664	17.0	257.572	180.835	20.733
ILE	H	51945	0.008	11.871	8.264	0.695
	HA	37595	-9.0	173.538	4.170	1.042
	HB	35515	-2.442	38.700	1.781	0.408
	HG12	32350	-10.1	5.56	1.263	0.458
	HG13	31114	-10.1	9.71	1.191	0.491
	MD	35032	-4.15	13.891	0.669	0.338
	MG	33920	-3.919	6.23	0.767	0.309
	C	33586	0	187.551	175.808	4.300
	CA	46385	20.877	362.184	61.620	3.437
	CB	43404	-34.477	339.785	38.602	3.032
	CD1	31107	2.7	314.600	13.523	3.641
	CG1	28366	8.0	329.288	27.751	3.468
	CG2	30125	0.79	317.615	17.615	3.379
	N	49407	0.0000	531	121.440	6.218
LEU	H	86077	-0.3	13.220	8.219	0.654
	HA	61908	0.000	119.411	4.305	0.660
	HB2	57044	-1.522	8.02	1.606	0.362
	HB3	54717	-1.79	8.39	1.521	0.379
	HG	50722	-2.08	5.7	1.502	0.348
	MD1	57204	-3.42	30.176	0.748	0.336
	MD2	55020	-3.42	24.504	0.725	0.366
	C	55580	0.071	189.78	176.987	3.562
	CA	76639	1.056	158.320	55.651	2.246
	CB	71802	7.439	93.180	42.266	2.032
	CD1	49241	0.683	120.700	24.688	2.089
	CD2	46998	0.280	116.300	24.121	2.178
	CG	43863	0.000	75.280	26.808	1.532
	N	81611	0.044	627	121.976	8.204
LYS	H	72627	0.002	64.423	8.175	0.654
	HA	53416	-0.118	32.650	4.259	0.460
	HB2	48190	-1.416	10.94	1.773	0.268
	HB3	45389	-3.038	9.43	1.745	0.284
	HD2	38775	-1.6800	119.620	1.607	0.670
	HD3	34700	-2.02	29.047	1.594	0.277
	HE2	38183	-0.493	8.371	2.909	0.218
	HE3	33538	-0.046	7.344	2.902	0.225
	HG2	43623	-1.654	6.7	1.362	0.273
	HG3	40176	-1.83	5.575	1.347	0.284
	C	44870	0.112	996.253	176.601	5.913
	CA	62454	1.155	359.222	56.945	3.332
	CB	58283	-26.686	332.988	32.809	3.057
	CD	34929	0.834	329.284	28.995	2.750
	CE	33777	-0.130	342.334	41.923	3.187
	CG	37014	12.109	325.487	24.969	3.280
	N	67311	0.041	427.245	121.030	4.836
	NZ	270	1.950	177.2	47.750	29.445
	QZ	1500	-10.9	10.506	7.324	1.083
MET	H	20578	-0.21	177	8.257	1.327
	HA	15355	-0.93	313.565	4.413	2.541
	HB2	13808	-27.312	33.750	2.021	0.600
	HB3	13016	-27.312	12.94	1.993	0.536
	HG2	12680	-33.86	32.7	2.371	1.518
	HG3	11990	-33.86	31.7	2.344	1.636
	ME	9658	-24.86	10.2000	1.762	1.632
	C	13623	2.200	183.25	176.194	3.239
	CA	19201	25.7283	85.327	56.143	2.305
	CB	17771	0.2	332.173	32.974	3.344
	CE	8643	8.90	317.645	17.267	4.423
	CG	10757	2.30	332.686	32.074	3.368
	N	19758	0.2	428.252	120.062	5.125
PHE	H	37359	-0.5	12.1759	8.337	0.734
	HA	26694	1.45	59.70	4.619	0.741
	HB2	24979	0.159	7.979	2.991	0.382
	HB3	24367	-0.212	12.72	2.934	0.403
	HD1	21209	0.603	12.154	7.035	0.405
	HD2	17799	0.603	12.154	7.035	0.420
	HE1	18565	-2.838	14.080	7.060	0.463
	HE2	15750	0.136	12.9	7.057	0.455
	HZ	13082	-7.14	43.623	6.993	0.732
	C	23693	0.088	184.929	175.455	3.183
	CA	32747	4.917	363.618	58.117	3.964
	CB	30824	2.161	341.700	39.976	3.772
	CD1	12540	7.160	143.4500	131.151	6.166
	CD2	8984	7.160	138.7	131.316	4.602
	CE1	10947	0.000	144.992	130.296	5.998
	CE2	7820	7.472	139.70	130.526	4.033
	CG	365	7.229	152.844	137.506	10.905
	CZ	8223	7.351	139.132	128.990	4.300
	N	35190	0.067	422.843	120.398	5.612
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	30493	0.636	135.80	4.388	0.832
	HB2	28432	-1.501	5.63	2.069	0.373
	HB3	27597	-3.48	6.10	1.996	0.384
	HD2	26361	-6.56	7.67	3.634	0.455
	HD3	25468	-6.56	8.865	3.599	0.478
	HG2	25663	-2.35	7.395	1.917	0.345
	HG3	23836	-1.520	4.92	1.893	0.353
	C	25035	0	183.517	176.640	4.366
	CA	36086	0	363.087	63.334	3.809
	CB	33787	0	333.586	31.899	3.332
	CD	22833	1.155	350.648	50.340	3.349
	CG	22757	2.436	327.402	27.282	3.885
	N	1644	3.566	430	134.347	27.704
SER	H	62869	-15.3	13.13	8.277	0.606
	HA	46553	1.277	58.739	4.478	0.482
	HB2	42713	0.61	9.182	3.867	0.280
	HB3	39623	0.61	41.7	3.842	0.350
	HG	829	0.13	11.36	5.436	1.214
	C	40852	0.000	197.1	174.594	3.193
	CA	57182	4.331	361.278	58.704	2.882
	CB	53143	-939.2800	365.087	63.716	5.284
	N	59126	0.000	416.964	116.298	4.343
THR	H	55988	0.02	21.7	8.236	0.642
	HA	40765	0.87	7.468	4.452	0.481
	HB	37567	0.087	68.14	4.165	0.579
	HG1	1468	-1.783	11.01	5.233	1.410
	MG	37406	-12.1	16.3	1.138	0.284
	C	35496	4.780	185.918	174.470	4.005
	CA	49472	0.971	92.659	62.215	2.779
	CB	46043	-939.2800	629.206	69.591	5.975
	CG2	31313	7.177	175.6	21.592	1.942
	N	52916	0.0	402	115.426	6.519
TRP	H	12479	3.421	17.315	8.270	0.783
	HA	9057	2.243	11.414	4.680	0.536
	HB2	8595	0.42	5.35	3.178	0.350
	HB3	8362	-0.3776	7.972	3.117	0.372
	HD1	7712	1.880	10.75	7.129	0.366
	HE1	8457	-1.279	131.711	10.090	1.496
	HE3	6700	1.85	11.362	7.295	0.525
	HH2	6648	2.84	10.900	6.949	0.462
	HZ2	7244	2.63	10.81	7.264	0.418
	HZ3	6472	0.76	8.898	6.844	0.479
	C	7523	2.500	184.30	176.088	4.564
	CA	10465	2.966	362.099	57.733	5.034
	CB	9831	1.6	328.795	30.115	5.022
	CD1	4865	30.236	158.329	126.289	4.548
	CD2	171	1.578	155.174	126.841	13.672
	CE2	226	56.4176	177.710	137.562	9.938
	CE3	4065	-10.872	174.807	120.117	5.711
	CG	231	4.174	116.526	110.016	9.515
	CH2	4293	-6.333	160.818	123.497	5.213
	CZ2	4635	7.107	144.030	113.992	4.732
	CZ3	4095	-8.702	161.540	121.102	4.772
	N	11304	6.712	423.160	121.679	6.248
	NE1	6909	0.53	435.960	129.265	6.542
TYR	H	31958	0.02	12.34	8.298	0.740
	HA	23076	0.442	7.160	4.611	0.565
	HB2	21594	-21.230	23.28	2.897	0.473
	HB3	21107	-21.230	23.28	2.834	0.490
	HD1	18792	0.190	9.39	6.918	0.377
	HD2	15945	0.5522	10.499	6.914	0.382
	HE1	17838	0.08	11.8	6.689	0.311
	HE2	15237	0.43	11.7	6.689	0.321
	HH	426	-0.788	31	9.086	2.107
	C	19643	2.200	184.78	175.380	4.469
	CA	27349	2.200	357.681	58.153	3.162
	CB	25449	18.38	338.686	39.315	3.179
	CD1	11327	19.589	141.572	132.355	5.328
	CD2	7776	3.492	139.644	132.355	5.302
	CE1	11158	40.435	177.717	117.699	4.115
	CE2	7686	34.1221	154.10	117.751	3.342
	CG	332	7.113	175.115	128.471	10.663
	CZ	265	6.839	165.718	155.368	14.275
	N	29521	0.2	818	120.807	12.680
VAL	H	68454	-0.41	15.050	8.274	0.684
	HA	49721	-2.83	54.971	4.167	0.634
	HB	46605	-27.480	31.75	1.978	0.458
	MG1	46272	-27.2	24.20	0.820	0.338
	MG2	45455	-27.2	56.56	0.800	0.441
	C	44608	1	205.699	175.649	3.016
	CA	61153	20.668	362.057	62.506	3.227
	CB	56820	15.597025	331.747	32.733	2.338
	CG1	40208	-7.4	321.185	21.556	2.512
	CG2	38845	-5.648	320.420	21.348	2.609
	N	65454	0.2	529	121.183	7.692