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	81369	-0.914	69.229	8.192	0.643
	HA	56590	-2.52	17.870	4.245	0.444
	MB	54382	-14.040	5.48	1.351	0.280
	C	52497	0.037	187.2	177.717	3.863
	CA	71988	17.007	354.698	53.170	2.826
	CB	68191	-40.993	318.868	19.055	3.130
	N	77426	0.049	766	123.343	6.164
ARG	H	54200	0.011	178	8.240	0.959
	HA	38638	1.212	12.57	4.290	0.471
	HB2	35148	-4.78	27.530	1.790	0.312
	HB3	33243	-1.320	27.530	1.759	0.324
	HD2	30904	-6.44	5.0	3.106	0.267
	HD3	28146	-0.690	5.0	3.091	0.287
	HE	10518	1.150	116.661	7.453	2.886
	HG2	31475	-1.45	4.2	1.559	0.284
	HG3	29210	-1.298	5.47	1.539	0.299
	HH11	958	4.41	11.7	6.939	0.579
	HH12	734	4.41	10.727	6.881	0.545
	HH21	818	1.233	11.352	6.825	0.655
	HH22	670	1.233	60.1410	6.902	2.156
	C	33219	0.174	184.96	176.408	3.431
	CA	46779	8.369	358.124	56.792	3.406
	CB	43586	16.52	329.120	30.696	2.551
	CD	26546	18.9350	342.642	43.199	2.998
	CG	26296	12.17	328.290	27.261	3.101
	CZ	711	43.199	184.497	160.274	6.589
	N	50087	0.125	433.808	120.808	4.769
	NE	6640	-23.150	149.1080	90.184	13.854
	NH1	273	6.450	124.7890	78.761	13.545
	NH2	235	66.2	128.470	78.660	14.238
ASN	H	44588	0.008	20.4	8.326	0.651
	HA	32011	0.896	7.110	4.661	0.364
	HB2	30085	-0.773	8.883	2.800	0.334
	HB3	29041	-0.948	5.806	2.742	0.361
	HD21	22669	0.783	111.320	7.338	0.859
	HD22	22401	0.905	111.320	7.144	0.876
	C	27961	0.114	185.3000	175.211	3.645
	CA	39355	2.200	354.022	53.548	3.598
	CB	37272	1.9620	342.798	38.731	3.683
	CG	2562	0.000	183.8	176.375	7.296
	N	41701	0.041	426.314	118.924	5.214
	ND2	19585	21.038	1114.29	112.919	12.862
ASP	H	64392	-0.35	25.876	8.300	0.593
	HA	44885	-3.75	8.66	4.585	0.327
	HB2	41988	-5.2	37.4	2.717	0.517
	HB3	40350	-1.46	37.2	2.667	0.524
	HD2	16	1.160	12.30	5.292	2.806
	C	41077	0.106	184.14	176.359	3.656
	CA	56851	5.630	354.531	54.689	2.766
	CB	53869	9.7	341.273	40.893	2.605
	CG	875	2.637	186.5	177.764	15.828
	N	61603	0.061	428.093	120.691	4.704
CYS	H	22647	3.723	12.660	8.379	0.698
	HA	18638	-9.858	43.5	4.680	0.988
	HB2	17994	-39.82	363.580	3.142	6.475
	HB3	17531	-44.2	363.580	3.063	5.871
	HG	236	-1.830	10.700	2.015	1.364
	C	10905	1.000	187.591	174.772	3.524
	CA	16259	30.6688	82.3	58.037	3.458
	CB	15484	17.99	73.920	33.340	6.502
	N	17833	-147	628	120.444	18.720
GLN	H	45746	0.000	66.542	8.216	0.661
	HA	32143	0.403	7.43	4.265	0.434
	HB2	29298	-1.514	10.461	2.042	0.278
	HB3	27892	-1.4980	20.9	2.012	0.329
	HE21	20647	-3.41	23.893	7.217	0.501
	HE22	20525	1.025	113.695	7.037	0.892
	HG2	27378	-1.76	33.5990	2.313	0.341
	HG3	25397	-1.395	34.946	2.292	0.365
	C	29574	0.069	1755.998	176.329	9.883
	CA	41028	1.733	356.830	56.566	2.668
	CB	38424	1.843	328.286	29.195	2.559
	CD	2514	6.789	183.929	179.334	7.147
	CG	24187	2.097	333.032	33.809	2.604
	N	43724	0.000	418.059	119.952	4.227
	NE2	18571	33.9	412.160	111.880	3.026
GLU	H	83620	0.008	122.9	8.330	0.755
	HA	58569	0.433	8.02	4.241	0.414
	HB2	53155	-1.470	4.82	2.018	0.222
	HB3	50015	-1.633	4.08	1.994	0.228
	HE2	15	0.801	11.96	5.088	2.703
	HG2	49162	-0.674	4.69	2.263	0.223
	HG3	45771	-0.10	4.69	2.245	0.225
	C	54126	0.074	184.71	176.818	4.390
	CA	74037	1.056	360.826	57.330	3.328
	CB	69144	9.08	330.834	30.020	3.217
	CD	924	0.000	198.609	180.919	15.511
	CG	43827	6.16	337.230	36.141	3.002
	N	80276	0.044	422.043	120.705	4.769
GLY	H	80588	-15.3	15.7	8.325	0.664
	HA2	55782	-3.4	8.64	3.962	0.399
	HA3	53102	-3.936	7.69	3.887	0.407
	C	51237	1.000	189.533	173.835	3.502
	CA	71612	2.200	344.994	45.377	2.210
	N	75646	0.2	791	109.698	7.204
HIS	H	23081	-0.3	13.34	8.258	0.733
	HA	16940	0.676	11.38	4.616	0.563
	HB2	15824	-2.168	45.897	3.159	1.119
	HB3	15383	-6.2	38.5	3.097	1.073
	HD1	992	-15	86.5	10.049	8.670
	HD2	11284	-25.85	67.8	7.153	3.310
	HE1	8907	-26.6	134.811	7.827	2.567
	HE2	384	-15	76.4	11.107	7.937
	C	14301	1.000	185.512	175.123	4.824
	CA	20712	11.40	355.084	56.524	3.441
	CB	19435	17.80	329.046	30.327	3.222
	CD2	7290	7.19	159.946	119.915	5.751
	CE1	5739	8.198	166.282	137.240	5.792
	CG	220	60.973	139.83	131.311	7.155
	N	21490	0.2	427.146	119.673	5.194
	ND1	776	31.026	261.013	193.046	33.000
	NE2	713	17.0	257.572	181.202	20.691
ILE	H	56186	0.008	11.871	8.261	0.694
	HA	39497	-9.0	173.538	4.168	1.023
	HB	37255	-2.442	38.700	1.782	0.403
	HG12	33915	-10.1	5.56	1.263	0.455
	HG13	32622	-10.1	9.71	1.192	0.487
	MD	37222	-4.15	13.891	0.670	0.335
	MG	35594	-3.919	6.23	0.768	0.307
	C	36039	0	187.551	175.790	4.588
	CA	49963	20.877	362.184	61.619	3.391
	CB	46654	-34.477	339.785	38.589	2.974
	CD1	33280	2.7	314.600	13.513	3.545
	CG1	29950	8.0	329.288	27.755	3.397
	CG2	31786	0.79	317.615	17.614	3.302
	N	53592	0.0000	531	121.430	6.097
LEU	H	92968	-0.3	13.220	8.218	0.652
	HA	65057	0.000	119.411	4.304	0.651
	HB2	59875	-1.522	8.02	1.607	0.361
	HB3	57462	-1.79	8.39	1.522	0.377
	HG	53134	-2.08	5.7	1.502	0.348
	MD1	60432	-3.42	30.176	0.748	0.333
	MD2	58084	-3.42	24.504	0.726	0.362
	C	59731	0.071	189.78	176.982	3.765
	CA	82549	1.056	158.320	55.652	2.243
	CB	77218	7.439	93.180	42.254	2.023
	CD1	52255	0.683	120.700	24.678	2.065
	CD2	49845	0.280	116.300	24.117	2.148
	CG	46205	0.000	75.280	26.807	1.510
	N	88352	0.044	627	121.962	7.954
LYS	H	78527	0.002	64.423	8.174	0.671
	HA	56179	-0.118	32.650	4.258	0.457
	HB2	50646	-1.416	10.94	1.773	0.267
	HB3	47735	-3.038	9.43	1.745	0.283
	HD2	40749	-1.6800	119.620	1.607	0.655
	HD3	36479	-2.02	29.047	1.595	0.274
	HE2	40081	-0.493	42.02	2.910	0.291
	HE3	35265	-0.046	7.344	2.902	0.224
	HG2	45870	-1.654	6.7	1.362	0.272
	HG3	42272	-1.83	5.575	1.347	0.283
	C	48289	0.112	996.253	176.602	5.901
	CA	67395	1.155	359.222	56.948	3.260
	CB	62871	-26.686	332.988	32.796	2.983
	CD	36891	0.834	329.284	28.997	2.688
	CE	35559	-0.130	342.334	41.926	3.113
	CG	39156	12.109	325.487	24.964	3.198
	N	73071	0.041	427.245	121.037	4.750
	NZ	289	1.950	177.2	49.876	31.534
	QZ	1564	-10.9	10.506	7.332	1.062
MET	H	22086	-0.21	177	8.257	1.291
	HA	16041	-0.93	313.565	4.411	2.488
	HB2	14395	-27.312	33.750	2.022	0.592
	HB3	13580	-27.312	12.94	1.994	0.529
	HG2	13219	-33.86	32.7	2.373	1.489
	HG3	12508	-33.86	31.7	2.347	1.603
	ME	10122	-24.86	10.2000	1.767	1.596
	C	14536	2.200	183.25	176.194	3.388
	CA	20582	25.7283	85.327	56.147	2.297
	CB	19013	0.2	332.173	32.971	3.278
	CE	9090	0.000	317.645	17.257	4.343
	CG	11284	2.30	332.686	32.073	3.299
	N	21259	0.000	428.252	120.049	5.089
PHE	H	40186	-0.5	12.1759	8.338	0.733
	HA	27923	1.33	59.70	4.618	0.733
	HB2	26098	-0.463	7.979	2.992	0.381
	HB3	25454	-0.212	12.72	2.934	0.401
	HD1	22000	0.603	12.154	7.036	0.402
	HD2	18528	0.603	12.154	7.036	0.416
	HE1	19232	-2.838	14.080	7.060	0.458
	HE2	16375	0	12.9	7.058	0.453
	HZ	13521	-7.14	43.623	6.993	0.726
	C	25282	0.088	184.929	175.449	3.121
	CA	35187	4.917	363.618	58.109	3.885
	CB	33027	2.161	341.700	39.962	3.683
	CD1	13080	7.160	143.4500	131.171	6.044
	CD2	9323	7.160	138.7	131.327	4.524
	CE1	11403	0.000	149.609	130.315	5.886
	CE2	8109	7.472	149.609	130.537	3.972
	CG	374	7.229	152.844	137.496	10.775
	CZ	8554	7.351	165.611	129.008	4.242
	N	37947	0.067	422.843	120.403	5.516
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	31910	0.636	135.80	4.387	0.816
	HB2	29707	-1.501	5.63	2.069	0.371
	HB3	28834	-3.48	6.10	1.996	0.383
	HD2	27498	-6.56	7.67	3.635	0.450
	HD3	26542	-6.56	8.865	3.601	0.472
	HG2	26777	-2.35	7.395	1.918	0.342
	HG3	24883	-1.520	4.92	1.894	0.351
	C	26908	0	183.517	176.628	4.508
	CA	38665	0	363.087	63.330	3.702
	CB	36078	0	333.586	31.894	3.239
	CD	23998	1.155	350.648	50.346	3.273
	CG	23908	2.436	327.402	27.281	3.798
	N	1858	3.566	430	134.564	26.102
SER	H	67801	-15.3	13.13	8.276	0.603
	HA	48816	1.277	58.739	4.477	0.478
	HB2	44811	0.61	9.182	3.867	0.278
	HB3	41591	0.61	41.7	3.843	0.346
	HG	884	0.13	11.36	5.428	1.195
	C	43901	0.000	197.1	174.586	3.324
	CA	61675	4.331	361.278	58.698	2.843
	CB	57220	-939.2800	365.087	63.722	5.111
	N	64062	0.000	416.964	116.298	4.284
THR	H	60433	0.02	21.7	8.234	0.641
	HA	42646	0.87	7.468	4.451	0.480
	HB	39249	0.087	71.587	4.166	0.664
	HG1	1545	-1.783	11.01	5.228	1.401
	MG	39079	-12.1	16.3	1.138	0.281
	C	38096	4.780	185.918	174.456	4.173
	CA	53308	0.971	92.659	62.212	2.769
	CB	49497	-939.2800	629.206	69.591	5.787
	CG2	32974	7.177	175.6	21.590	1.920
	N	57360	0.0	402	115.417	6.400
TRP	H	13332	3.421	17.315	8.268	0.783
	HA	9450	2.043	11.414	4.679	0.536
	HB2	8961	0.42	5.35	3.180	0.350
	HB3	8718	-0.3776	7.972	3.118	0.371
	HD1	8021	1.880	10.75	7.128	0.365
	HE1	8851	-1.279	131.711	10.091	1.468
	HE3	6962	1.85	11.362	7.297	0.520
	HH2	6906	2.84	10.900	6.951	0.458
	HZ2	7525	2.63	10.81	7.265	0.415
	HZ3	6726	0.76	8.898	6.847	0.475
	C	8023	2.500	184.30	175.959	6.193
	CA	11243	2.966	362.099	57.721	4.900
	CB	10518	1.6	328.795	30.096	4.882
	CD1	5104	30.236	183.141	126.317	4.526
	CD2	178	1.578	155.174	126.993	13.420
	CE2	236	56.4176	177.710	137.583	9.728
	CE3	4264	-10.872	174.807	120.157	5.627
	CG	237	4.174	116.526	110.033	9.397
	CH2	4501	-6.333	160.818	123.524	5.103
	CZ2	4861	7.107	159.041	114.026	4.682
	CZ3	4299	-8.702	161.540	121.142	4.721
	N	12139	6.712	423.160	121.652	6.129
	NE1	7252	0.53	435.960	129.267	6.398
TYR	H	34306	0.02	12.34	8.296	0.742
	HA	24116	0.442	7.160	4.609	0.564
	HB2	22543	-21.230	23.28	2.898	0.469
	HB3	22029	-21.230	23.28	2.833	0.487
	HD1	19533	0.190	10.5	6.919	0.375
	HD2	16625	0.5522	10.499	6.915	0.380
	HE1	18526	0.08	11.8	6.690	0.311
	HE2	15870	0.43	11.7	6.690	0.322
	HH	435	-0.788	31	9.110	2.096
	C	21045	2.200	184.78	175.362	4.812
	CA	29366	2.200	357.681	58.150	3.127
	CB	27264	18.38	338.686	39.306	3.123
	CD1	11820	19.589	141.572	132.362	5.256
	CD2	8108	3.492	139.644	132.361	5.245
	CE1	11636	40.435	177.717	117.708	4.117
	CE2	8013	34.1221	154.10	117.764	3.404
	CG	351	7.113	175.115	128.486	10.384
	CZ	273	6.839	165.718	155.402	14.067
	N	31833	0.2	818	120.779	12.264
VAL	H	73899	-0.41	15.050	8.271	0.683
	HA	52026	-2.83	54.971	4.168	0.631
	HB	48666	-27.480	31.75	1.978	0.455
	MG1	48670	-27.2	24.20	0.820	0.336
	MG2	47735	-27.2	56.56	0.801	0.435
	C	47789	1	205.699	175.628	3.480
	CA	65749	20.668	362.057	62.496	3.211
	CB	61005	15.597025	331.747	32.723	2.315
	CG1	42584	-7.4	321.185	21.551	2.471
	CG2	41047	-5.648	320.420	21.349	2.570
	N	70873	0.2	529	121.156	7.491