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	82439	-0.914	69.229	8.193	0.642
	HA	57077	-2.52	17.870	4.245	0.444
	MB	54867	-14.040	5.48	1.352	0.280
	C	53158	0.037	187.2	177.718	3.847
	CA	72938	17.007	354.698	53.164	2.809
	CB	69130	-40.993	318.868	19.055	3.118
	N	78471	0.049	766	123.349	6.143
ARG	H	54962	0.011	178	8.242	1.071
	HA	39025	1.212	12.57	4.290	0.470
	HB2	35465	-4.78	27.530	1.790	0.312
	HB3	33543	-1.320	27.530	1.759	0.323
	HD2	31152	-6.44	5.0	3.107	0.266
	HD3	28375	-0.690	5.0	3.091	0.286
	HE	10571	1.150	116.661	7.453	2.879
	HG2	31730	-1.45	4.2	1.559	0.284
	HG3	29447	-1.298	5.47	1.539	0.298
	HH11	962	4.41	11.7	6.939	0.579
	HH12	735	4.41	10.727	6.881	0.544
	HH21	819	1.233	11.352	6.825	0.654
	HH22	670	1.233	60.1410	6.902	2.156
	C	33674	0.174	184.96	176.408	3.416
	CA	47468	8.369	358.124	56.787	3.391
	CB	44241	16.52	329.120	30.696	2.542
	CD	26796	18.9350	342.642	43.201	2.985
	CG	26556	12.17	328.290	27.262	3.087
	CZ	716	43.199	184.497	160.276	6.568
	N	50838	0.125	433.808	120.803	4.822
	NE	6672	-23.150	149.1080	90.172	13.836
	NH1	280	6.450	124.7890	78.595	13.417
	NH2	237	66.2	128.470	78.620	14.188
ASN	H	45076	0.008	20.4	8.326	0.650
	HA	32217	0.896	7.110	4.661	0.364
	HB2	30262	-0.773	8.883	2.799	0.335
	HB3	29215	-0.948	5.806	2.742	0.361
	HD21	22775	0.783	111.320	7.338	0.857
	HD22	22509	0.905	111.320	7.143	0.875
	C	28272	0.114	185.3000	175.212	3.630
	CA	39800	2.200	354.022	53.547	3.583
	CB	37705	1.9620	342.798	38.729	3.666
	CG	2566	0.000	185.503	176.381	7.294
	N	42180	0.041	426.314	118.928	5.198
	ND2	19686	21.038	1114.29	112.916	12.830
ASP	H	65168	-0.35	25.876	8.301	0.592
	HA	45200	-3.75	8.66	4.585	0.327
	HB2	42244	-5.2	37.4	2.717	0.516
	HB3	40596	-1.46	37.2	2.667	0.523
	HD2	16	1.160	12.30	5.292	2.806
	C	41556	0.106	184.14	176.359	3.639
	CA	57528	5.630	354.531	54.687	2.754
	CB	54529	9.7	341.273	40.893	2.594
	CG	880	2.637	188.215	177.802	15.792
	N	62378	0.061	428.093	120.694	4.694
CYS	H	22855	3.723	12.660	8.379	0.698
	HA	18760	-9.858	43.5	4.681	0.986
	HB2	18091	-39.82	363.580	3.141	6.457
	HB3	17625	-44.2	363.580	3.062	5.855
	HG	237	-1.830	10.700	2.013	1.361
	C	10995	1.000	187.591	174.772	3.512
	CA	16428	30.6688	82.3	58.030	3.456
	CB	15650	17.99	73.920	33.360	6.522
	N	18010	-147	628	120.446	18.633
GLN	H	46243	0.000	66.542	8.216	0.659
	HA	32385	0.403	7.43	4.265	0.433
	HB2	29500	-1.514	10.461	2.042	0.277
	HB3	28092	-1.4980	20.9	2.013	0.328
	HE21	20775	-3.41	23.893	7.217	0.500
	HE22	20654	1.025	113.695	7.036	0.890
	HG2	27555	-1.76	33.5990	2.313	0.340
	HG3	25572	-1.395	34.946	2.292	0.365
	C	29879	0.069	1755.998	176.331	9.835
	CA	41480	1.733	356.830	56.562	2.664
	CB	38862	1.843	328.286	29.194	2.552
	CD	2516	6.789	190.624	179.340	7.148
	CG	24383	2.097	333.032	33.810	2.595
	N	44217	0.000	418.059	119.954	4.219
	NE2	18694	33.9	412.160	111.881	3.019
GLU	H	84642	0.008	122.9	8.330	0.753
	HA	58976	0.433	8.02	4.241	0.414
	HB2	53448	-1.470	4.82	2.018	0.222
	HB3	50308	-1.633	4.08	1.994	0.227
	HE2	15	0.801	11.96	5.088	2.703
	HG2	49397	-0.674	4.69	2.263	0.223
	HG3	46004	-0.10	4.69	2.245	0.225
	C	54800	0.074	184.71	176.818	4.368
	CA	74961	1.056	360.826	57.329	3.316
	CB	70028	9.08	330.834	30.021	3.202
	CD	931	0.000	198.609	180.980	15.469
	CG	44109	6.16	337.230	36.143	2.993
	N	81297	0.044	422.043	120.706	4.754
GLY	H	81628	-15.3	121.881	8.326	0.773
	HA2	56242	-3.4	8.64	3.962	0.399
	HA3	53542	-3.936	7.69	3.887	0.407
	C	51845	1.000	189.533	173.833	3.486
	CA	72534	2.200	344.994	45.375	2.202
	N	76659	0.2	791	109.685	7.204
HIS	H	23335	-0.3	13.34	8.257	0.732
	HA	17058	0.676	11.38	4.616	0.562
	HB2	15925	-2.168	45.897	3.158	1.116
	HB3	15481	-6.2	38.5	3.097	1.070
	HD1	997	-15	86.5	10.038	8.650
	HD2	11334	-25.85	67.8	7.152	3.303
	HE1	8939	-26.6	134.811	7.827	2.562
	HE2	384	-15	76.4	11.107	7.937
	C	14481	1.000	184.204	175.121	4.799
	CA	20954	11.40	355.084	56.519	3.429
	CB	19670	17.80	329.046	30.327	3.209
	CD2	7320	7.19	159.946	119.919	5.744
	CE1	5757	8.198	166.282	137.242	5.783
	CG	221	60.973	139.83	131.301	7.140
	N	21757	0.2	427.146	119.653	5.293
	ND1	776	31.026	261.013	193.046	33.000
	NE2	713	17.0	257.572	181.202	20.691
ILE	H	56877	0.008	11.871	8.261	0.693
	HA	39796	-9.0	173.538	4.168	1.020
	HB	37520	-2.442	38.700	1.782	0.402
	HG12	34130	-10.1	5.56	1.263	0.454
	HG13	32827	-10.1	9.71	1.192	0.487
	MD	37516	-4.15	13.891	0.671	0.334
	MG	35874	-3.919	6.23	0.768	0.307
	C	36482	0	187.551	175.785	4.614
	CA	50579	20.877	362.184	61.617	3.383
	CB	47251	-34.477	339.785	38.588	2.963
	CD1	33563	2.7	314.600	13.513	3.534
	CG1	30174	8.0	329.288	27.756	3.387
	CG2	32048	0.79	317.615	17.614	3.290
	N	54274	0.0000	531	121.423	6.128
LEU	H	94175	-0.3	13.220	8.219	0.652
	HA	65580	0.000	119.411	4.304	0.649
	HB2	60322	-1.522	8.02	1.607	0.360
	HB3	57889	-1.79	8.39	1.523	0.377
	HG	53476	-2.08	5.7	1.502	0.348
	MD1	60929	-3.42	30.176	0.748	0.333
	MD2	58568	-3.42	24.504	0.727	0.361
	C	60507	0.071	189.78	176.982	3.748
	CA	83651	1.056	158.320	55.648	2.240
	CB	78273	7.439	93.180	42.255	2.022
	CD1	52737	0.683	120.700	24.680	2.061
	CD2	50309	0.280	116.300	24.117	2.144
	CG	46552	0.000	75.280	26.807	1.506
	N	89525	0.044	627	121.961	7.921
LYS	H	79523	0.002	64.423	8.174	0.671
	HA	56566	-0.118	32.650	4.258	0.457
	HB2	50979	-1.416	10.94	1.773	0.266
	HB3	48045	-3.038	9.43	1.745	0.283
	HD2	40991	-1.6800	119.620	1.607	0.653
	HD3	36698	-2.02	29.047	1.595	0.274
	HE2	40313	-0.493	42.02	2.910	0.291
	HE3	35468	-0.046	7.344	2.903	0.224
	HG2	46141	-1.654	6.7	1.362	0.272
	HG3	42521	-1.83	5.575	1.347	0.283
	C	48907	0.112	996.253	176.603	5.868
	CA	68307	1.155	359.222	56.947	3.247
	CB	63760	-26.686	332.988	32.795	2.970
	CD	37150	0.834	329.284	28.998	2.679
	CE	35805	-0.130	342.334	41.927	3.102
	CG	39429	12.109	325.487	24.964	3.188
	N	74033	0.041	427.245	121.035	4.744
	NZ	289	1.950	177.2	49.876	31.534
	QZ	1570	-10.9	10.506	7.332	1.060
MET	H	22324	-0.21	177	8.257	1.286
	HA	16150	-0.93	313.565	4.411	2.480
	HB2	14487	-27.312	33.750	2.023	0.590
	HB3	13671	-27.312	12.94	1.994	0.528
	HG2	13291	-33.86	32.7	2.373	1.485
	HG3	12584	-33.86	31.7	2.348	1.599
	ME	10188	-24.86	10.2000	1.769	1.591
	C	14696	2.200	183.25	176.193	3.376
	CA	20814	25.7283	85.327	56.146	2.296
	CB	19238	0.2	332.173	32.974	3.265
	CE	9156	0.000	317.645	17.256	4.328
	CG	11355	2.30	332.686	32.075	3.289
	N	21495	0.000	428.252	120.047	5.074
PHE	H	40631	-0.5	12.1759	8.337	0.733
	HA	28113	1.33	59.70	4.618	0.732
	HB2	26261	-0.463	7.979	2.992	0.381
	HB3	25615	-0.212	12.72	2.934	0.400
	HD1	22132	0.603	12.154	7.036	0.401
	HD2	18651	0.603	12.154	7.037	0.415
	HE1	19337	-2.838	14.080	7.061	0.457
	HE2	16473	0	12.9	7.058	0.452
	HZ	13568	-7.14	43.623	6.993	0.725
	C	25546	0.088	184.929	175.448	3.110
	CA	35556	4.917	363.618	58.107	3.871
	CB	33378	2.161	341.700	39.960	3.670
	CD1	13149	7.160	143.4500	131.173	6.029
	CD2	9374	7.160	138.7	131.329	4.513
	CE1	11456	0.000	149.609	130.318	5.874
	CE2	8147	7.472	149.609	130.540	3.963
	CG	374	7.229	152.844	137.496	10.775
	CZ	8584	7.351	165.611	129.010	4.237
	N	38374	0.067	422.843	120.388	5.536
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	32180	0.636	135.80	4.388	0.813
	HB2	29951	-1.501	5.63	2.070	0.370
	HB3	29077	-3.48	6.10	1.996	0.382
	HD2	27682	-6.56	7.67	3.636	0.450
	HD3	26726	-6.56	8.865	3.601	0.472
	HG2	26946	-2.35	7.395	1.918	0.342
	HG3	25043	-1.520	4.92	1.894	0.351
	C	27275	0	183.517	176.628	4.481
	CA	39156	0	363.087	63.332	3.681
	CB	36543	0	333.586	31.894	3.222
	CD	24187	1.155	350.648	50.347	3.260
	CG	24100	2.436	327.402	27.283	3.784
	N	1887	3.566	430	134.559	25.912
SER	H	68529	-15.3	13.130	8.277	0.603
	HA	49136	1.277	58.739	4.477	0.477
	HB2	45077	0.61	9.182	3.867	0.278
	HB3	41841	0.61	41.7	3.843	0.346
	HG	894	0.13	11.36	5.427	1.189
	C	44393	0.000	197.1	174.586	3.310
	CA	62352	4.331	361.278	58.698	2.834
	CB	57858	-939.2800	365.087	63.724	5.085
	N	64782	0.000	416.964	116.298	4.282
THR	H	61144	0.02	21.7	8.234	0.641
	HA	42957	0.87	7.468	4.451	0.479
	HB	39508	0.087	71.587	4.167	0.662
	HG1	1549	-1.783	11.01	5.227	1.400
	MG	39387	-12.1	16.3	1.138	0.280
	C	38505	4.780	185.918	174.455	4.153
	CA	53946	0.971	92.659	62.213	2.763
	CB	50119	-939.2800	629.206	69.592	5.758
	CG2	33265	7.177	175.6	21.591	1.914
	N	58057	0.0	402	115.410	6.401
TRP	H	13469	3.421	17.315	8.269	0.782
	HA	9515	2.043	11.414	4.680	0.536
	HB2	9019	0.42	5.35	3.179	0.351
	HB3	8775	-0.3776	7.972	3.116	0.373
	HD1	8071	1.880	10.75	7.129	0.364
	HE1	8923	-1.279	131.711	10.091	1.462
	HE3	7008	1.85	12.233	7.297	0.526
	HH2	6947	2.84	10.900	6.951	0.457
	HZ2	7572	2.63	10.81	7.265	0.414
	HZ3	6766	0.76	8.898	6.847	0.474
	C	8096	2.500	184.30	175.960	6.167
	CA	11363	2.966	362.099	57.715	4.881
	CB	10636	1.6	328.795	30.095	4.858
	CD1	5129	30.236	183.141	126.319	4.518
	CD2	179	1.578	155.174	126.995	13.382
	CE2	237	56.4176	177.710	137.569	9.710
	CE3	4286	-10.872	174.807	120.160	5.614
	CG	237	4.174	116.526	110.033	9.397
	CH2	4524	-6.333	160.818	123.524	5.092
	CZ2	4885	7.107	159.041	114.027	4.671
	CZ3	4319	-8.702	161.540	121.141	4.711
	N	12263	6.712	423.160	121.654	6.113
	NE1	7305	0.53	435.960	129.261	6.386
TYR	H	34689	0.02	12.34	8.295	0.741
	HA	24296	0.442	7.160	4.608	0.564
	HB2	22688	-21.230	23.28	2.898	0.468
	HB3	22172	-21.230	23.28	2.833	0.486
	HD1	19649	0.190	10.5	6.919	0.375
	HD2	16738	0.5522	10.499	6.915	0.380
	HE1	18638	0.08	11.8	6.690	0.311
	HE2	15975	0.43	11.7	6.690	0.322
	HH	435	-0.788	31	9.110	2.096
	C	21285	2.200	184.78	175.364	4.789
	CA	29707	2.200	357.681	58.149	3.122
	CB	27601	18.38	338.686	39.309	3.167
	CD1	11903	19.589	141.572	132.367	5.239
	CD2	8178	3.492	139.644	132.368	5.223
	CE1	11715	40.435	177.717	117.711	4.103
	CE2	8079	34.1221	154.10	117.767	3.391
	CG	351	7.113	175.115	128.486	10.384
	CZ	273	6.839	165.718	155.402	14.067
	N	32209	0.2	818	120.771	12.199
VAL	H	74892	-0.41	15.050	8.271	0.683
	HA	52413	-2.83	54.971	4.168	0.630
	HB	49000	-27.480	31.75	1.979	0.454
	MG1	49097	-27.2	24.20	0.820	0.335
	MG2	48156	-27.2	56.56	0.801	0.433
	C	48405	1	205.699	175.627	3.467
	CA	66648	20.668	362.057	62.495	3.208
	CB	61882	15.597025	331.747	32.723	2.308
	CG1	43004	-7.4	321.185	21.551	2.462
	CG2	41463	-5.648	320.420	21.350	2.561
	N	71860	0.2	529	121.153	7.478