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	Shift Outliers
ALA	H	92215	-0.914	131.25	8.193	0.851	150
	HA	60920	-2.52	17.870	4.245	0.442	1174
	MB	58959	-14.040	5.48	1.352	0.279	1063
	C	59427	0.037	187.2	177.738	3.696	40
	CA	81521	17.007	354.698	53.161	2.731	89
	CB	77520	-40.993	318.868	19.047	3.015	204
	N	88303	0.049	766	123.352	5.937	104
ARG	H	61267	0.011	178	8.240	1.031	39
	HA	41755	1.212	12.57	4.289	0.468	489
	HB2	37820	-4.78	27.530	1.789	0.309	490
	HB3	35810	-1.320	27.530	1.759	0.321	520
	HD2	33208	-6.44	5.0	3.107	0.266	664
	HD3	30319	-0.690	44.092	3.093	0.370	361
	HE	11271	1.150	116.661	7.448	2.793	7
	HG2	33784	-1.45	4.2	1.558	0.284	618
	HG3	31386	-1.298	5.47	1.539	0.299	652
	HH11	978	4.41	11.7	6.938	0.575	22
	HH12	745	4.41	10.727	6.882	0.542	18
	HH21	839	1.233	11.352	6.826	0.651	19
	HH22	690	1.233	60.1410	6.906	2.129	1
	C	37494	0.174	184.96	176.422	3.296	13
	CA	52974	8.369	358.124	56.778	3.288	59
	CB	49271	16.52	329.120	30.688	2.476	127
	CD	28811	18.9350	342.642	43.198	2.892	46
	CG	28563	12.17	328.290	27.255	2.993	48
	CZ	793	43.199	184.497	160.085	7.276	8
	N	57026	0.125	433.808	120.819	4.699	87
	NE	7052	-23.150	149.1080	90.004	13.625	54
	NH1	290	6.450	124.7890	79.158	13.807	6
	NH2	252	66.2	128.470	79.000	14.238	7
ASN	H	50481	0.008	121.370	8.364	2.144	24
	HA	34361	0.896	7.110	4.660	0.361	476
	HB2	32186	-0.827	8.883	2.799	0.334	510
	HB3	31080	-0.948	5.806	2.743	0.358	522
	HD21	24148	0.687	111.320	7.335	0.843	52
	HD22	23872	0.905	111.320	7.145	0.858	110
	C	31651	0.114	185.3000	175.221	3.554	18
	CA	44512	2.200	354.022	53.544	3.440	29
	CB	42169	1.9620	342.798	38.722	3.513	47
	CG	2771	0.000	185.503	176.193	9.072	12
	N	47572	0.041	426.314	118.898	5.444	40
	ND2	20945	21.038	1114.29	112.886	12.463	12
ASP	H	72825	-0.35	25.876	8.298	0.588	604
	HA	48142	-3.75	8.66	4.584	0.326	700
	HB2	44834	-5.2	37.4	2.716	0.505	82
	HB3	43077	-1.46	37.2	2.666	0.512	110
	HD2	21	1.160	12.30	5.832	3.100
	C	46376	0.106	184.14	176.369	3.484	24
	CA	64076	5.630	354.531	54.687	2.681	70
	CB	60679	9.7	341.273	40.892	2.515	155
	CG	1017	2.637	188.215	177.134	18.446	14
	N	70053	0.061	428.093	120.700	4.588	101
CYS	H	24987	3.723	12.660	8.376	0.698	154
	HA	19998	-9.858	43.5	4.680	0.967	59
	HB2	19231	-39.82	363.580	3.130	6.265	42
	HB3	18751	-44.2	363.580	3.052	5.679	43
	HG	259	-1.830	10.700	2.035	1.346	4
	C	12035	1.000	187.591	174.773	3.409	10
	CA	18161	30.6688	90.374	58.008	3.500	24
	CB	17318	17.99	111.008	33.435	6.637	21
	N	19984	-147	628	120.402	17.739	82
GLN	H	52025	0.000	122.824	8.248	1.992	23
	HA	34495	0.000	7.43	4.264	0.432	567
	HB2	31321	-1.514	10.461	2.043	0.275	428
	HB3	29841	-1.4980	20.9	2.013	0.324	362
	HE21	22103	-3.41	23.893	7.218	0.504	192
	HE22	21980	0.000	113.695	7.036	0.870	31
	HG2	29206	-1.76	33.5990	2.314	0.335	342
	HG3	27138	-1.395	34.946	2.293	0.359	378
	C	33432	0.069	1755.998	176.341	9.316	13
	CA	46203	1.733	356.830	56.558	2.606	48
	CB	43288	1.843	328.286	29.191	2.492	138
	CD	2723	6.789	190.624	179.330	7.478	7
	CG	26089	2.097	333.032	33.807	2.525	42
	N	49985	0.000	418.059	119.943	4.559	86
	NE2	19917	33.9	412.160	111.875	2.975	65
GLU	H	94174	0.008	122.9	8.329	0.734	360
	HA	62753	0.433	8.02	4.241	0.412	1136
	HB2	56724	-1.470	4.82	2.018	0.221	815
	HB3	53418	-1.633	8.095	1.994	0.228	770
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	52369	-0.674	4.69	2.264	0.221	876
	HG3	48827	-0.10	4.69	2.245	0.223	790
	C	61038	0.074	184.71	176.841	4.181	40
	CA	83032	1.056	360.826	57.327	3.216	77
	CB	77620	9.08	330.834	30.011	3.088	124
	CD	1065	0.000	198.609	181.155	14.480	8
	CG	47179	6.16	337.230	36.144	2.909	66
	N	90876	0.044	422.043	120.721	4.627	120
GLY	H	91313	-15.3	121.881	8.326	0.756	836
	H1	1	8.677	8.677	8.677
	HA2	59936	-3.4	8.64	3.961	0.398	967
	HA3	57058	-3.936	43.9930	3.888	0.437	802
	C	57777	1.000	189.533	173.846	3.346	58
	CA	80934	2.200	344.994	45.376	2.174	171
	N	86343	0.2	791	109.664	6.888	215
HIS	H	25876	-0.3	13.34	8.253	0.730	271
	HA	18166	0.676	11.38	4.616	0.560	231
	HB2	16908	-2.168	45.897	3.157	1.102	129
	HB3	16434	-6.2	38.5	3.099	1.071	140
	HD1	1048	-15	86.5	9.939	8.453	23
	HD2	11880	-25.85	67.8	7.146	3.227	90
	HE1	9325	-26.6	134.811	7.835	2.511	63
	HE2	391	-15	76.4	11.080	7.872	11
	C	16039	1.000	184.204	175.141	4.599	15
	CA	23146	11.40	355.084	56.517	3.354	62
	CB	21724	13.496	329.046	30.320	3.131	65
	CD2	7742	7.19	159.946	119.910	5.621	53
	CE1	6053	8.198	166.282	137.248	5.655	55
	CG	270	18.669	139.83	131.217	9.524	3
	N	24271	0.2	427.146	119.666	5.205	44
	ND1	831	31.026	261.013	192.601	32.495	2
	NE2	754	17.0	257.572	180.840	20.342	20
ILE	H	63653	0.008	11.871	8.261	0.691	314
	HA	42518	-9.0	173.538	4.166	0.996	7
	HB	39948	-2.442	38.700	1.783	0.395	222
	HG12	36272	-10.1	5.56	1.263	0.451	277
	HG13	34901	-10.1	9.71	1.194	0.482	259
	MD	40677	-4.15	13.891	0.672	0.330	652
	MG	38349	-3.919	6.23	0.769	0.304	607
	C	40644	0	187.551	175.815	4.412	29
	CA	56346	20.877	362.184	61.628	3.323	64
	CB	52474	-34.477	339.785	38.570	2.877	89
	CD1	36757	2.7	314.600	13.500	3.420	113
	CG1	32491	8.0	329.288	27.760	3.294	143
	CG2	34554	0.79	317.615	17.603	3.186	111
	N	61043	0.0000	531	121.448	6.016	119
LEU	H	105149	-0.3	119.596	8.217	0.735	326
	HA	69882	0.000	119.411	4.302	0.639	73
	HB2	64167	-1.800	8.02	1.607	0.359	829
	HB3	61567	-1.79	8.39	1.523	0.376	889
	HG	56643	-2.08	5.965	1.502	0.348	696
	MD1	65655	-3.42	30.176	0.747	0.330	1021
	MD2	63187	-3.42	24.504	0.727	0.356	802
	C	67292	0.071	189.78	177.001	3.603	29
	CA	93010	1.056	158.320	55.656	2.229	193
	CB	86856	7.439	93.180	42.238	2.006	564
	CD1	57427	0.683	120.700	24.667	2.029	215
	CD2	54876	0.280	116.300	24.128	2.115	175
	CG	49920	0.000	75.280	26.805	1.485	369
	N	100552	0.044	627	121.950	7.648	102
LYS	H	88937	0.002	64.423	8.175	0.663	539
	HA	60430	-0.118	32.650	4.258	0.455	660
	HB2	54304	-1.416	10.94	1.774	0.266	878
	HB3	51230	-3.038	9.43	1.746	0.282	854
	HD2	43574	-1.6800	119.620	1.607	0.635	32
	HD3	39166	-2.02	29.047	1.595	0.270	579
	HE2	42862	-0.493	42.02	2.911	0.286	485
	HE3	37832	-0.046	7.344	2.903	0.222	796
	HG2	49071	-1.654	6.7	1.363	0.272	1001
	HG3	45339	-1.83	5.575	1.348	0.282	956
	C	54519	0.112	996.253	176.625	5.590	38
	CA	75874	1.155	359.222	56.951	3.157	74
	CB	70833	-26.686	332.988	32.785	2.869	103
	CD	39933	0.834	329.284	28.995	2.603	75
	CE	38508	-0.130	342.334	41.925	3.001	71
	CG	42405	12.109	325.487	24.959	3.085	96
	N	83363	0.041	427.245	121.051	4.639	135
	NZ	327	1.950	177.2	50.737	32.926	3
	QZ	1658	-10.9	10.506	7.338	1.035	44
MET	H	24832	-0.21	177	8.256	1.233	18
	HA	17193	-0.93	313.565	4.410	2.407	1
	HB2	15371	-27.312	33.750	2.024	0.577	85
	HB3	14496	-27.312	12.94	1.995	0.517	111
	HG2	14110	-33.86	32.7	2.378	1.444	44
	HG3	13350	-33.86	31.7	2.353	1.554	49
	ME	10928	-24.86	10.2000	1.776	1.539	87
	C	16423	2.200	183.25	176.201	3.259	5
	CA	23157	25.7283	85.327	56.140	2.283	59
	CB	21406	0.2	332.173	32.971	3.165	53
	CE	9932	0.000	317.645	17.248	4.185	55
	CG	12200	2.30	332.686	32.070	3.199	28
	N	24062	0.000	428.252	120.080	5.033	42
PHE	H	45112	-0.5	12.1759	8.334	0.729	278
	HA	29957	1.33	59.70	4.618	0.721	25
	HB2	27920	-0.463	7.979	2.992	0.381	382
	HB3	27216	-0.212	12.72	2.934	0.399	404
	HD1	23360	0.603	12.154	7.038	0.397	231
	HD2	19791	0.603	12.154	7.039	0.409	201
	HE1	20404	-2.838	14.080	7.063	0.450	171
	HE2	17486	0	12.9	7.061	0.444	162
	HZ	14255	-7.14	43.623	6.993	0.713	115
	C	28398	0.088	184.929	175.451	3.011	9
	CA	39448	4.917	363.618	58.107	3.760	37
	CB	37015	2.161	341.700	39.944	3.540	46
	CD1	14056	7.160	148.7280	131.188	5.914	70
	CD2	9956	7.160	140.309	131.335	4.513	35
	CE1	12244	0.000	149.609	130.334	5.752	61
	CE2	8668	7.472	149.609	130.543	3.975	38
	CG	433	7.229	156.3	137.317	11.500	4
	CZ	9095	7.351	165.611	129.029	4.135	33
	N	42830	0.067	422.843	120.398	5.467	64
PRO	H	5	8.160	8.995	8.598	0.354
	H2	5	8.070	9.673	8.756	0.710
	HA	34221	0.636	135.80	4.387	0.793	45
	HB2	31715	-1.501	5.63	2.069	0.371	553
	HB3	30813	-3.48	6.10	1.997	0.383	579
	HD2	29311	-6.56	7.67	3.636	0.446	434
	HD3	28306	-6.56	8.865	3.602	0.467	511
	HG2	28512	-2.35	7.395	1.918	0.341	685
	HG3	26549	-1.520	4.92	1.894	0.351	645
	C	30402	0	183.517	176.642	4.309	31
	CA	43464	0	363.087	63.334	3.569	81
	CB	40505	0	333.586	31.880	3.090	74
	CD	25894	1.155	350.648	50.343	3.167	63
	CG	25812	2.436	327.402	27.272	3.669	44
	N	2248	0.140	430	134.539	24.088	39
SER	H	76655	-15.3	116.95709	8.275	0.715	324
	HA	52205	1.277	58.739	4.476	0.473	445
	HB2	47723	0.61	9.182	3.867	0.277	754
	HB3	44359	0.61	41.7	3.844	0.341	519
	HG	968	0.13	11.36	5.422	1.187	23
	C	49447	0.000	197.1	174.586	3.275	34
	CA	69429	4.331	361.278	58.693	2.764	76
	CB	64445	-939.2800	365.087	63.727	4.857	174
	N	72941	0.000	416.964	116.289	4.201	217
THR	H	68156	0.02	21.7	8.229	0.637	582
	HA	45739	0.87	7.468	4.451	0.478	269
	HB	41918	0.087	71.587	4.168	0.647	84
	HG1	1688	-1.783	11.01	5.209	1.389	41
	MG	41832	-12.1	16.3	1.138	0.277	529
	C	42910	4.780	185.918	174.461	3.971	35
	CA	60039	0.971	92.659	62.209	2.753	113
	CB	55705	-939.2800	629.206	69.591	5.504	165
	CG2	35697	7.177	175.6	21.590	1.900	116
	N	65061	0.0	402	115.386	6.244	67
TRP	H	14932	3.421	17.315	8.267	0.780	98
	HA	10120	2.043	172.573	4.694	1.752	2
	HB2	9569	0.42	5.35	3.178	0.349	146
	HB3	9298	-0.3776	7.972	3.115	0.373	140
	HD1	8510	1.880	10.75	7.128	0.362	134
	HE1	9514	-1.279	131.711	10.097	1.424	42
	HE3	7394	1.85	12.233	7.300	0.521	132
	HH2	7334	2.84	10.900	6.955	0.452	114
	HZ2	7985	2.63	10.81	7.269	0.408	119
	HZ3	7123	0.76	8.898	6.852	0.468	94
	C	8994	2.500	184.30	175.993	5.886	12
	CA	12648	2.966	362.099	57.720	4.695	14
	CB	11773	1.6	328.795	30.070	4.667	23
	CD1	5437	30.236	183.141	126.343	4.412	23
	CD2	189	1.578	155.174	127.137	13.037	2
	CE2	257	56.4176	177.710	137.569	9.406	6
	CE3	4549	-10.872	174.807	120.187	5.464	29
	CG	267	4.174	129.700	110.247	8.997	2
	CH2	4804	-6.333	160.818	123.553	4.949	22
	CZ2	5185	7.107	159.041	114.056	4.543	30
	CZ3	4578	-8.702	161.540	121.168	4.594	22
	N	13670	6.712	423.160	121.645	5.925	14
	NE1	7796	0.53	435.960	129.280	6.201	34
TYR	H	38532	0.02	12.34	8.290	0.738	185
	HA	25766	0.442	7.160	4.610	0.562	211
	HB2	23989	-21.230	23.28	2.898	0.463	199
	HB3	23428	-21.230	23.28	2.834	0.481	246
	HD1	20674	0.190	10.5	6.920	0.371	242
	HD2	17691	0.5522	10.499	6.917	0.375	213
	HE1	19589	0.08	11.8	6.690	0.307	167
	HE2	16869	0.43	11.7	6.690	0.318	149
	HH	446	-0.788	31	9.095	2.089	5
	C	23629	2.200	184.78	175.383	4.586	22
	CA	32933	2.200	357.681	58.141	3.067	26
	CB	30555	18.38	338.686	39.296	3.086	48
	CD1	12648	19.40	141.572	132.369	5.317	65
	CD2	8689	3.492	139.644	132.381	5.254	50
	CE1	12410	40.435	182.764	117.739	4.049	110
	CE2	8559	34.1221	154.10	117.780	3.306	71
	CG	413	7.113	175.115	128.106	13.320	7
	CZ	299	6.839	165.718	155.580	13.454	3
	N	36027	0.2	818	120.721	11.616	36
VAL	H	83356	-0.41	120.980	8.269	0.783	190
	HA	55697	-2.83	54.971	4.167	0.626	128
	HB	51940	-27.480	31.75	1.979	0.446	408
	MG1	52609	-27.2	24.20	0.818	0.332	589
	MG2	51638	-27.2	56.56	0.801	0.427	268
	C	53744	1	205.699	175.642	3.341	28
	CA	73891	20.668	362.057	62.503	3.175	107
	CB	68566	15.597025	331.747	32.710	2.261	149
	CG1	46555	-7.4	321.185	21.538	2.398	91
	CG2	44905	-5.648	320.420	21.344	2.497	92
	N	80400	0.2	529	121.145	7.221	89