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	74937	-0.914	69.229	8.192	0.647
	HA	53778	-2.52	17.870	4.245	0.446
	MB	51626	-14.040	5.48	1.351	0.282
	C	48505	0.037	187.2	177.734	3.427
	CA	66413	17.007	354.698	53.168	2.878
	CB	62935	-40.993	318.868	19.064	3.216
	N	71001	0.049	766	123.340	6.352
ARG	H	49736	0.011	178	8.240	0.986
	HA	36631	1.212	12.57	4.291	0.473
	HB2	33331	-4.78	27.530	1.789	0.315
	HB3	31523	-1.126	27.530	1.757	0.327
	HD2	29325	-6.44	4.692	3.106	0.268
	HD3	26707	-0.690	4.788	3.089	0.290
	HE	10015	1.150	116.661	7.453	2.954
	HG2	29867	-1.45	4.2	1.558	0.286
	HG3	27704	-1.298	5.47	1.538	0.300
	HH11	927	4.41	10.675	6.928	0.551
	HH12	715	4.41	10.727	6.876	0.529
	HH21	788	1.233	11.352	6.826	0.664
	HH22	653	1.233	60.1410	6.899	2.179
	C	30659	0.174	184.96	176.406	3.233
	CA	42950	8.369	358.124	56.787	3.486
	CB	40008	17.736	329.120	30.708	2.599
	CD	25116	18.9350	342.642	43.196	3.076
	CG	24836	12.17	328.290	27.259	3.176
	CZ	686	43.199	184.497	160.271	6.679
	N	45795	0.125	433.808	120.794	4.868
	NE	6367	-23.150	149.1080	90.215	13.906
	NH1	254	6.450	124.7890	79.062	13.884
	NH2	221	66.2	128.470	78.965	14.537
ASN	H	41153	0.008	20.4	8.328	0.653
	HA	30436	0.896	7.110	4.661	0.365
	HB2	28640	-0.773	8.883	2.800	0.335
	HB3	27628	-0.948	5.137	2.742	0.362
	HD21	21692	0.783	111.320	7.338	0.872
	HD22	21436	0.905	111.320	7.145	0.889
	C	25913	0.114	185.3000	175.244	3.013
	CA	36326	2.200	354.022	53.559	3.706
	CB	34441	1.9620	342.798	38.737	3.800
	CG	2449	0.000	183.8	176.363	7.458
	N	38325	0.041	426.314	118.929	5.314
	ND2	18717	21.038	1114.29	112.929	13.148
ASP	H	59277	-0.35	25.876	8.300	0.596
	HA	42642	-3.75	8.66	4.586	0.329
	HB2	39920	-5.2	37.4	2.717	0.528
	HB3	38338	-1.46	37.2	2.667	0.535
	HD2	14	1.160	12.30	5.245	2.982
	C	37874	0.106	184.14	176.369	3.452
	CA	52370	5.630	354.531	54.691	2.817
	CB	49670	9.7	341.273	40.897	2.674
	CG	820	2.637	186.5	177.685	16.339
	N	56489	0.061	428.093	120.678	4.783
CYS	H	21034	3.723	12.660	8.376	0.700
	HA	17592	-9.858	43.5	4.680	1.009
	HB2	17007	-39.82	363.580	3.154	6.659
	HB3	16570	-44.2	363.580	3.074	6.038
	HG	220	-1.830	10.700	1.992	1.393
	C	10117	1.000	187.591	174.804	3.301
	CA	15002	30.6688	82.3	58.063	3.463
	CB	14282	17.99	73.920	33.233	6.451
	N	16418	-147	628	120.479	19.473
GLN	H	42007	0.006	66.542	8.216	0.665
	HA	30435	1.567	7.43	4.266	0.434
	HB2	27757	-1.514	10.461	2.042	0.280
	HB3	26418	-1.4980	20.9	2.013	0.332
	HE21	19705	-3.41	23.893	7.213	0.504
	HE22	19598	1.025	113.695	7.038	0.908
	HG2	25951	-1.76	33.5990	2.313	0.344
	HG3	24046	-1.395	34.946	2.292	0.370
	C	27265	0.069	1755.998	176.344	10.129
	CA	37708	1.733	356.830	56.564	2.705
	CB	35357	1.843	328.286	29.205	2.614
	CD	2364	6.789	183.54	179.320	7.364
	CG	22828	2.097	333.032	33.809	2.670
	N	39989	0.079	418.059	119.942	4.210
	NE2	17690	33.9	412.160	111.880	3.077
GLU	H	76737	0.008	122.9	8.331	0.769
	HA	55530	0.433	8.02	4.241	0.415
	HB2	50477	-1.470	4.82	2.017	0.223
	HB3	47469	-1.633	4.08	1.994	0.229
	HE2	15	0.801	11.96	5.088	2.703
	HG2	46698	-0.674	4.69	2.263	0.223
	HG3	43441	-0.10	4.69	2.244	0.227
	C	50071	0.074	184.71	176.832	3.994
	CA	68256	1.056	360.826	57.335	3.411
	CB	63817	9.08	330.834	30.026	3.311
	CD	854	0.000	198.609	180.746	16.118
	CG	41384	6.16	337.230	36.141	3.078
	N	73453	0.044	422.043	120.701	4.883
GLY	H	74315	-15.3	15.7	8.325	0.668
	HA2	52872	-3.4	8.64	3.961	0.401
	HA3	50448	-3.936	7.69	3.888	0.410
	C	47338	1.000	189.533	173.834	3.588
	CA	66099	2.200	344.994	45.379	2.271
	N	69475	0.2	791	109.711	7.446
HIS	H	21449	-0.3	13.34	8.259	0.738
	HA	16183	0.676	11.38	4.615	0.569
	HB2	15130	-2.168	45.897	3.162	1.142
	HB3	14715	-6.2	38.5	3.100	1.094
	HD1	971	-15	86.5	10.081	8.754
	HD2	10840	-25.85	67.8	7.160	3.376
	HE1	8585	-26.6	134.811	7.822	2.612
	HE2	366	-15	76.4	11.178	8.107
	C	13373	1.000	184.204	175.145	4.471
	CA	19248	11.40	355.084	56.534	3.508
	CB	18075	17.80	329.046	30.321	3.283
	CD2	6972	7.19	159.946	119.900	5.850
	CE1	5490	8.198	166.282	137.225	5.903
	CG	213	60.973	139.83	131.383	7.256
	N	19905	0.2	427.146	119.675	5.209
	ND1	729	31.026	261.013	192.890	33.604
	NE2	664	17.0	257.572	180.835	20.733
ILE	H	51694	0.008	11.871	8.265	0.695
	HA	37519	-9.0	173.538	4.170	1.042
	HB	35449	-2.442	38.700	1.781	0.408
	HG12	32289	-10.1	5.56	1.263	0.458
	HG13	31057	-10.1	9.71	1.190	0.491
	MD	34921	-4.15	13.891	0.669	0.338
	MG	33853	-3.919	6.23	0.767	0.309
	C	33431	0	187.551	175.808	4.307
	CA	46154	20.877	362.184	61.620	3.439
	CB	43190	-34.477	339.785	38.604	3.036
	CD1	30993	2.7	314.600	13.526	3.645
	CG1	28294	8.0	329.288	27.750	3.471
	CG2	30049	0.79	317.615	17.615	3.383
	N	49159	0.0000	531	121.443	6.224
LEU	H	85706	-0.3	13.220	8.219	0.655
	HA	61735	0.000	119.411	4.306	0.660
	HB2	56895	-1.522	8.02	1.606	0.362
	HB3	54580	-1.79	8.39	1.521	0.379
	HG	50602	-2.08	5.7	1.502	0.348
	MD1	57050	-3.42	30.176	0.748	0.336
	MD2	54880	-3.42	24.504	0.725	0.366
	C	55355	0.071	189.78	176.984	3.568
	CA	76294	1.056	158.320	55.649	2.247
	CB	71482	7.439	93.180	42.266	2.034
	CD1	49081	0.683	120.700	24.689	2.090
	CD2	46849	0.280	116.300	24.122	2.179
	CG	43728	0.000	75.280	26.808	1.533
	N	81248	0.044	627	121.977	8.220
LYS	H	72297	0.002	64.423	8.175	0.654
	HA	53296	-0.118	32.650	4.259	0.460
	HB2	48088	-1.416	10.94	1.772	0.268
	HB3	45302	-3.038	9.43	1.744	0.284
	HD2	38707	-1.6800	119.620	1.607	0.670
	HD3	34638	-2.02	29.047	1.594	0.277
	HE2	38118	-0.493	8.371	2.909	0.218
	HE3	33482	-0.046	7.344	2.902	0.225
	HG2	43538	-1.654	6.7	1.362	0.273
	HG3	40099	-1.83	5.575	1.347	0.284
	C	44677	0.112	996.253	176.600	5.924
	CA	62154	1.155	359.222	56.945	3.337
	CB	57999	-26.686	332.988	32.809	3.062
	CD	34849	0.834	329.284	28.995	2.752
	CE	33713	-0.130	342.334	41.922	3.190
	CG	36926	12.109	325.487	24.969	3.283
	N	66986	0.041	427.245	121.028	4.841
	NZ	270	1.950	177.2	47.750	29.445
	QZ	1491	-10.9	10.506	7.323	1.086
MET	H	20463	-0.21	177	8.259	1.330
	HA	15312	-0.93	313.565	4.413	2.545
	HB2	13775	-27.312	33.750	2.022	0.600
	HB3	12988	-27.312	12.94	1.993	0.537
	HG2	12646	-33.86	32.7	2.370	1.520
	HG3	11957	-33.86	31.7	2.344	1.638
	ME	9635	-24.86	10.2000	1.762	1.634
	C	13538	2.200	183.25	176.190	3.245
	CA	19089	25.7283	85.327	56.138	2.305
	CB	17669	0.2	332.173	32.974	3.351
	CE	8620	8.90	317.645	17.267	4.429
	CG	10720	2.30	332.686	32.072	3.373
	N	19642	0.2	428.252	120.066	5.132
PHE	H	37149	-0.5	12.1759	8.338	0.734
	HA	26624	1.45	59.70	4.620	0.741
	HB2	24910	0.159	7.979	2.991	0.382
	HB3	24303	-0.212	12.72	2.934	0.404
	HD1	21155	0.603	12.154	7.035	0.406
	HD2	17750	0.603	12.154	7.035	0.420
	HE1	18515	-2.838	14.080	7.059	0.463
	HE2	15705	0.136	12.9	7.057	0.456
	HZ	13040	-7.14	43.623	6.993	0.733
	C	23586	0.088	184.929	175.453	3.186
	CA	32571	4.917	363.618	58.114	3.969
	CB	30660	2.161	341.700	39.978	3.779
	CD1	12502	7.160	143.4500	131.150	6.176
	CD2	8959	7.160	138.7	131.317	4.608
	CE1	10911	0.000	144.992	130.295	6.007
	CE2	7792	7.472	139.70	130.527	4.039
	CG	364	7.229	152.844	137.502	10.920
	CZ	8189	7.351	139.132	128.990	4.308
	N	34987	0.067	422.843	120.403	5.623
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	30351	0.636	135.80	4.387	0.833
	HB2	28303	-1.501	5.63	2.068	0.373
	HB3	27470	-3.48	6.10	1.995	0.384
	HD2	26235	-6.56	7.67	3.633	0.456
	HD3	25343	-6.56	8.865	3.599	0.478
	HG2	25537	-2.35	7.395	1.916	0.346
	HG3	23715	-1.520	4.92	1.892	0.354
	C	24878	0	183.517	176.644	4.282
	CA	35867	0	363.087	63.333	3.820
	CB	33576	0	333.586	31.895	3.341
	CD	22696	1.155	350.648	50.339	3.358
	CG	22611	2.436	327.402	27.286	3.896
	N	1560	3.566	430	135.839	27.663
SER	H	62557	-15.3	13.130	8.277	0.606
	HA	46441	1.277	58.739	4.478	0.483
	HB2	42602	0.61	9.182	3.867	0.280
	HB3	39538	0.61	7.770	3.841	0.294
	HG	823	0.13	11.36	5.442	1.215
	C	40648	0.000	197.1	174.592	3.198
	CA	56886	4.331	361.278	58.703	2.886
	CB	52864	-939.2800	365.087	63.715	5.296
	N	58817	0.000	416.964	116.296	4.349
THR	H	55730	0.02	21.7	8.236	0.642
	HA	40661	0.87	7.468	4.453	0.481
	HB	37490	0.087	68.14	4.165	0.579
	HG1	1463	-1.783	11.01	5.237	1.411
	MG	37323	-12.1	16.3	1.137	0.284
	C	35345	4.780	185.918	174.467	4.012
	CA	49240	0.971	92.659	62.214	2.780
	CB	45823	-939.2800	629.206	69.590	5.987
	CG2	31215	7.177	175.6	21.592	1.944
	N	52660	0.0	402	115.430	6.529
TRP	H	12424	3.421	17.315	8.270	0.783
	HA	9033	2.243	11.414	4.681	0.536
	HB2	8570	0.42	5.35	3.178	0.350
	HB3	8337	-0.3776	7.972	3.117	0.372
	HD1	7688	1.880	10.75	7.128	0.366
	HE1	8426	-1.279	131.711	10.090	1.498
	HE3	6682	1.85	11.362	7.295	0.525
	HH2	6629	2.84	10.900	6.949	0.462
	HZ2	7225	2.63	10.81	7.264	0.418
	HZ3	6455	0.76	8.898	6.844	0.479
	C	7500	2.500	184.30	176.088	4.570
	CA	10422	2.966	362.099	57.731	5.041
	CB	9792	1.6	328.795	30.117	5.029
	CD1	4855	30.236	158.329	126.287	4.553
	CD2	171	1.578	155.174	126.841	13.672
	CE2	226	56.4176	177.710	137.562	9.938
	CE3	4055	-10.872	174.807	120.114	5.717
	CG	231	4.174	116.526	110.016	9.515
	CH2	4283	-6.333	160.818	123.494	5.219
	CZ2	4625	7.107	144.030	113.991	4.737
	CZ3	4086	-8.702	161.540	121.102	4.777
	N	11257	6.712	423.160	121.683	6.257
	NE1	6886	0.53	435.960	129.264	6.552
TYR	H	31826	0.02	12.34	8.298	0.740
	HA	23023	0.442	7.160	4.611	0.565
	HB2	21542	-21.230	23.28	2.897	0.474
	HB3	21057	-21.230	23.28	2.834	0.490
	HD1	18758	0.190	9.39	6.918	0.377
	HD2	15914	0.5522	10.499	6.914	0.383
	HE1	17802	0.08	11.8	6.689	0.312
	HE2	15204	0.43	11.7	6.688	0.321
	HH	422	-0.788	31	9.079	2.114
	C	19555	2.200	184.78	175.379	4.477
	CA	27228	2.200	357.681	58.152	3.164
	CB	25329	18.38	338.686	39.319	3.183
	CD1	11301	19.589	141.572	132.354	5.334
	CD2	7764	3.492	139.644	132.354	5.306
	CE1	11130	40.435	177.717	117.698	4.120
	CE2	7672	34.1221	154.10	117.749	3.342
	CG	332	7.113	175.115	128.471	10.663
	CZ	265	6.839	165.718	155.368	14.275
	N	29392	0.2	818	120.810	12.705
VAL	H	68042	-0.41	15.050	8.275	0.685
	HA	49473	-2.83	54.971	4.167	0.635
	HB	46363	-27.480	31.75	1.977	0.459
	MG1	46165	-27.2	24.20	0.820	0.339
	MG2	45358	-27.2	56.56	0.800	0.441
	C	44314	1	205.699	175.649	3.023
	CA	60755	20.668	362.057	62.507	3.230
	CB	56437	15.597025	331.747	32.732	2.344
	CG1	40105	-7.4	321.185	21.556	2.513
	CG2	38746	-5.648	320.420	21.348	2.611
	N	65045	0.2	529	121.185	7.711