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	95104	-0.914	131.25	8.193	0.844	165
	HA	62240	-2.52	17.870	4.244	0.441	1215
	MB	60325	-14.040	5.48	1.353	0.278	1089
	C	61396	0.037	187.2	177.748	3.660	41
	CA	84123	17.007	354.698	53.167	2.708	89
	CB	80091	-40.993	318.868	19.045	2.982	205
	N	91131	0.049	766	123.348	5.874	105
ARG	H	63180	0.011	178	8.240	1.020	43
	HA	42640	1.212	12.57	4.288	0.467	507
	HB2	38597	-4.78	27.530	1.790	0.309	501
	HB3	36510	-1.350	27.530	1.759	0.320	529
	HD2	33915	-6.44	5.0	3.107	0.266	673
	HD3	30936	-0.690	44.092	3.093	0.368	368
	HE	11476	1.150	116.661	7.447	2.770	7
	HG2	34483	-1.45	4.2	1.558	0.284	629
	HG3	32023	-1.298	5.47	1.540	0.298	667
	HH11	981	4.41	11.7	6.937	0.574	22
	HH12	746	4.41	10.727	6.882	0.541	18
	HH21	840	1.233	11.352	6.826	0.650	19
	HH22	691	1.233	60.1410	6.906	2.127	1
	C	38622	0.174	184.96	176.432	3.265	13
	CA	54695	8.369	358.124	56.783	3.260	61
	CB	50858	16.52	329.120	30.680	2.454	138
	CD	29508	18.9350	342.642	43.198	2.860	46
	CG	29244	1.0	328.290	27.252	2.967	51
	CZ	811	43.199	184.497	160.069	7.198	8
	N	58887	0.125	433.808	120.816	4.667	92
	NE	7166	-23.150	149.1080	89.991	13.601	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	51958	0.008	121.370	8.361	2.116	24
	HA	35003	0.896	7.110	4.661	0.361	479
	HB2	32763	-0.827	8.883	2.800	0.333	529
	HB3	31641	-0.948	5.806	2.744	0.356	527
	HD21	24531	0.687	111.320	7.336	0.838	52
	HD22	24252	0.905	111.320	7.145	0.853	110
	C	32569	0.114	185.3000	175.227	3.516	18
	CA	45833	2.200	354.022	53.545	3.405	31
	CB	43427	1.9620	342.798	38.724	3.472	48
	CG	2817	0.000	185.503	176.197	8.999	12
	N	49031	0.041	426.314	118.901	5.403	40
	ND2	21302	21.038	1114.29	112.883	12.360	12
ASP	H	75151	-0.35	25.876	8.298	0.585	631
	HA	49133	-3.75	8.66	4.583	0.325	721
	HB2	45733	-5.2	37.4	2.716	0.501	90
	HB3	43935	-1.46	37.2	2.666	0.508	113
	HD2	21	1.160	12.30	5.832	3.100
	C	47821	0.106	184.14	176.375	3.443	24
	CA	66121	5.630	354.531	54.689	2.663	73
	CB	62586	9.7	341.273	40.889	2.488	159
	CG	1046	2.637	188.215	177.214	18.195	14
	N	72369	0.061	428.093	120.700	4.579	104
CYS	H	25615	3.723	12.660	8.374	0.696	156
	HA	20372	-9.858	43.5	4.678	0.960	62
	HB2	19592	-39.82	363.580	3.128	6.207	43
	HB3	19099	-44.2	363.580	3.050	5.627	43
	HG	264	-1.830	10.700	2.067	1.384	5
	C	12296	1.000	187.591	174.770	3.385	10
	CA	18659	30.6688	90.374	58.006	3.495	24
	CB	17789	17.99	111.008	33.452	6.641	21
	N	20549	-147	628	120.376	17.509	82
GLN	H	53804	0.000	122.824	8.246	1.961	23
	HA	35272	0.000	7.43	4.263	0.430	591
	HB2	31979	-1.514	10.461	2.044	0.274	436
	HB3	30439	-1.4980	20.9	2.014	0.323	362
	HE21	22492	-3.41	23.893	7.219	0.503	197
	HE22	22370	0.000	113.695	7.036	0.864	32
	HG2	29825	-1.76	33.5990	2.314	0.333	348
	HG3	27679	-1.395	34.946	2.294	0.357	390
	C	34617	0.069	1755.998	176.346	9.161	13
	CA	47859	1.733	356.830	56.564	2.589	50
	CB	44845	1.843	328.286	29.186	2.465	144
	CD	2777	6.789	190.624	179.327	7.406	7
	CG	26779	2.097	333.032	33.808	2.497	43
	N	51766	0.000	418.059	119.948	4.523	94
	NE2	20296	33.9	412.160	111.869	2.959	66
GLU	H	96933	0.008	122.9	8.328	0.730	379
	HA	63965	0.433	8.02	4.240	0.411	1154
	HB2	57770	-1.470	4.82	2.018	0.221	822
	HB3	54400	-1.633	8.095	1.995	0.227	791
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	53302	-0.674	4.69	2.264	0.220	893
	HG3	49700	-0.10	4.69	2.245	0.223	799
	C	62767	0.074	184.71	176.851	4.134	40
	CA	85476	1.056	360.826	57.332	3.187	79
	CB	79878	9.08	330.834	30.007	3.055	131
	CD	1099	0.000	198.609	181.189	14.258	8
	CG	48172	6.16	337.230	36.144	2.882	67
	N	93652	0.044	422.043	120.722	4.593	124
GLY	H	94197	-15.3	121.881	8.326	0.753	888
	H1	2	8.373	8.677	8.525	0.215
	HA2	61111	-3.4	8.64	3.961	0.398	985
	HA3	58173	-3.936	43.9930	3.889	0.436	823
	C	59534	1.000	189.533	173.847	3.311	61
	CA	83546	2.200	344.994	45.374	2.162	181
	N	89161	0.2	791	109.655	6.805	230
HIS	H	26641	-0.3	13.34	8.253	0.727	279
	HA	18452	0.676	11.38	4.615	0.558	232
	HB2	17167	-2.168	45.897	3.157	1.094	130
	HB3	16675	-6.2	38.5	3.098	1.064	140
	HD1	1054	-15	86.5	9.921	8.436	23
	HD2	12070	-25.85	67.8	7.143	3.202	90
	HE1	9480	-26.6	134.811	7.837	2.491	64
	HE2	391	-15	76.4	11.080	7.872	11
	C	16491	1.000	184.204	175.144	4.546	15
	CA	23782	11.40	355.084	56.516	3.330	62
	CB	22312	13.496	329.046	30.320	3.107	65
	CD2	7911	7.19	159.946	119.905	5.569	54
	CE1	6192	8.198	166.282	137.264	5.595	57
	CG	282	18.669	139.83	131.298	9.347	3
	N	25032	0.2	427.146	119.676	5.171	44
	ND1	839	31.026	261.013	192.628	32.444	2
	NE2	762	17.0	257.572	180.931	20.314	20
ILE	H	65463	0.008	11.871	8.260	0.691	324
	HA	43268	-9.0	173.538	4.164	0.990	7
	HB	40628	-2.442	38.700	1.784	0.394	226
	HG12	36853	-10.1	5.56	1.263	0.450	286
	HG13	35461	-10.1	9.71	1.195	0.481	264
	MD	41506	-4.15	13.891	0.672	0.329	666
	MG	38987	-3.919	6.23	0.769	0.303	619
	C	41746	0	187.551	175.824	4.363	29
	CA	57918	20.877	362.184	61.637	3.306	64
	CB	53906	-34.477	339.785	38.566	2.855	90
	CD1	37609	2.7	314.600	13.497	3.388	114
	CG1	33134	8.0	329.288	27.762	3.270	148
	CG2	35228	0.79	317.615	17.601	3.159	118
	N	62851	0.0000	531	121.439	5.983	124
LEU	H	108395	-0.3	119.596	8.217	0.732	339
	HA	71311	0.000	119.411	4.301	0.635	77
	HB2	65442	-1.800	8.02	1.608	0.358	848
	HB3	62766	-1.79	1579.0	1.549	6.308	1
	HG	57655	-2.08	5.965	1.503	0.348	713
	MD1	67065	-3.42	30.176	0.747	0.329	1048
	MD2	64603	-3.42	24.504	0.727	0.355	827
	C	69324	0.071	189.78	177.009	3.564	30
	CA	95859	1.056	158.320	55.659	2.224	197
	CB	89498	7.439	93.180	42.232	2.001	592
	CD1	58789	0.683	120.700	24.666	2.020	221
	CD2	56233	0.280	116.300	24.128	2.105	176
	CG	51050	0.000	75.280	26.802	1.478	383
	N	103754	0.044	627	121.942	7.559	104
LYS	H	91492	0.002	123.7085	8.192	1.582	33
	HA	61632	-0.118	32.650	4.257	0.454	679
	HB2	55408	-1.416	10.94	1.775	0.265	894
	HB3	52245	-3.038	9.43	1.747	0.281	866
	HD2	44452	-1.6800	119.620	1.607	0.630	33
	HD3	39960	-2.02	29.047	1.596	0.269	590
	HE2	43731	-0.493	42.02	2.911	0.284	495
	HE3	38612	-0.046	7.344	2.904	0.221	808
	HG2	50053	-1.654	6.7	1.364	0.271	1021
	HG3	46261	-1.83	5.575	1.349	0.281	971
	C	56119	0.112	996.253	176.637	5.520	38
	CA	78136	1.155	359.222	56.961	3.133	75
	CB	72952	-26.686	332.988	32.779	2.840	106
	CD	40859	0.834	329.284	28.995	2.577	77
	CE	39384	-0.130	342.334	41.925	2.969	71
	CG	43392	12.109	325.487	24.959	3.053	96
	N	85869	0.041	427.245	121.028	4.846	122
	NZ	331	1.950	177.2	50.538	32.775	3
	QZ	1671	-10.9	10.506	7.338	1.031	44
MET	H	25653	-0.21	177	8.255	1.216	18
	HA	17578	-0.93	313.565	4.408	2.381	1
	HB2	15714	-27.312	33.750	2.025	0.573	89
	HB3	14807	-27.312	12.94	1.996	0.514	113
	HG2	14433	-33.86	32.7	2.379	1.429	46
	HG3	13660	-33.86	31.7	2.353	1.538	49
	ME	11224	-24.86	10.2000	1.779	1.520	88
	C	16995	2.200	183.25	176.215	3.222	5
	CA	23966	25.7283	85.327	56.152	2.282	59
	CB	22142	0.2	332.173	32.963	3.133	54
	CE	10228	0.000	317.645	17.248	4.127	55
	CG	12515	2.30	332.686	32.074	3.163	29
	N	24889	0.000	428.252	120.076	4.979	42
PHE	H	46352	-0.5	12.1759	8.333	0.728	285
	HA	30490	1.33	59.70	4.617	0.719	27
	HB2	28388	-0.463	7.979	2.993	0.380	388
	HB3	27662	-0.212	12.72	2.935	0.398	413
	HD1	23715	0.603	12.154	7.039	0.396	233
	HD2	20113	0.603	12.154	7.040	0.408	201
	HE1	20720	-2.838	14.080	7.064	0.448	174
	HE2	17769	0	12.9	7.063	0.442	163
	HZ	14466	-7.14	43.623	6.994	0.709	116
	C	29194	0.088	184.929	175.454	2.985	10
	CA	40552	4.917	363.618	58.114	3.734	40
	CB	38029	2.161	341.700	39.936	3.508	47
	CD1	14341	7.160	148.7280	131.192	5.857	70
	CD2	10130	7.160	140.309	131.335	4.477	35
	CE1	12498	0.000	149.609	130.345	5.696	61
	CE2	8818	7.472	149.609	130.549	3.945	38
	CG	447	7.229	156.3	137.360	11.322	4
	CZ	9277	7.351	165.611	129.036	4.098	33
	N	44069	0.067	422.843	120.399	5.434	65
PRO	H	5	8.160	8.995	8.598	0.354
	H2	5	8.070	9.673	8.756	0.710
	HA	34867	0.636	135.80	4.387	0.786	47
	HB2	32277	-1.501	5.63	2.070	0.370	566
	HB3	31355	-3.48	6.10	1.997	0.383	590
	HD2	29785	-6.56	7.67	3.637	0.444	441
	HD3	28762	-6.56	8.865	3.603	0.465	523
	HG2	28983	-2.35	7.395	1.919	0.340	698
	HG3	26968	-1.520	4.92	1.895	0.351	657
	C	31333	0	183.517	176.644	4.250	31
	CA	44720	0	363.087	63.334	3.525	82
	CB	41667	0	333.586	31.877	3.051	74
	CD	26381	1.155	350.648	50.345	3.140	63
	CG	26333	2.436	327.402	27.272	3.635	44
	N	2394	0.140	430	134.612	23.387	39
SER	H	78976	-15.3	116.95709	8.275	0.710	342
	HA	53175	1.277	58.739	4.475	0.470	465
	HB2	48551	0.61	9.182	3.868	0.277	763
	HB3	45116	0.61	41.7	3.844	0.340	527
	HG	979	0.13	11.36	5.420	1.182	24
	C	50976	0.000	197.1	174.591	3.237	35
	CA	71548	4.331	361.278	58.694	2.746	78
	CB	66376	-939.2800	365.087	63.727	4.791	174
	N	75246	0.000	416.964	116.291	4.179	228
THR	H	70182	0.02	21.7	8.227	0.637	595
	HA	46529	0.87	7.468	4.449	0.477	276
	HB	42573	0.087	71.587	4.169	0.643	84
	HG1	1725	-1.783	11.01	5.191	1.404	37
	MG	42555	-12.1	16.3	1.139	0.276	547
	C	44178	4.780	185.918	174.469	3.924	35
	CA	61823	0.971	92.659	62.211	2.748	115
	CB	57325	-939.2800	629.206	69.597	5.436	168
	CG2	36435	7.177	175.6	21.592	1.885	120
	N	67069	0.0	402	115.368	6.202	69
TRP	H	15302	3.421	17.315	8.264	0.781	107
	HA	10276	2.043	172.573	4.693	1.739	2
	HB2	9705	0.42	5.35	3.177	0.349	147
	HB3	9428	-0.3776	7.972	3.116	0.373	144
	HD1	8624	1.880	10.75	7.128	0.361	135
	HE1	9687	-1.279	131.711	10.098	1.413	45
	HE3	7490	1.85	12.233	7.300	0.519	135
	HH2	7428	2.84	10.900	6.956	0.450	118
	HZ2	8086	2.63	10.81	7.269	0.407	121
	HZ3	7213	0.76	8.898	6.852	0.466	94
	C	9210	2.500	184.30	176.005	5.823	12
	CA	12970	2.966	362.099	57.726	4.651	14
	CB	12037	1.6	328.795	30.058	4.622	23
	CD1	5535	30.236	183.141	126.344	4.378	23
	CD2	190	1.578	155.174	127.148	13.004	2
	CE2	259	56.4176	177.710	137.569	9.370	6
	CE3	4632	-10.872	174.807	120.202	5.419	29
	CG	269	4.174	129.700	110.249	8.964	2
	CH2	4889	-6.333	160.818	123.555	4.909	22
	CZ2	5273	7.107	159.041	114.062	4.507	31
	CZ3	4653	-8.702	161.540	121.178	4.559	22
	N	14029	6.712	423.160	121.631	5.886	14
	NE1	7959	0.53	435.960	129.276	6.143	35
TYR	H	39739	0.02	12.34	8.289	0.737	192
	HA	26231	0.442	7.160	4.608	0.561	215
	HB2	24377	-21.230	23.28	2.898	0.462	206
	HB3	23788	-21.230	23.28	2.834	0.479	250
	HD1	20977	0.190	10.5	6.921	0.370	247
	HD2	17967	0.5522	10.499	6.917	0.374	214
	HE1	19892	0.08	11.8	6.690	0.306	173
	HE2	17144	0.43	11.7	6.691	0.316	153
	HH	450	-0.788	31	9.071	2.107	5
	C	24385	2.200	184.78	175.395	4.525	22
	CA	33967	2.200	357.681	58.146	3.051	26
	CB	31508	18.38	338.686	39.289	3.058	51
	CD1	12895	19.40	141.572	132.375	5.268	67
	CD2	8844	3.492	139.644	132.386	5.210	50
	CE1	12675	40.435	182.764	117.743	4.009	111
	CE2	8718	34.1221	154.10	117.782	3.278	72
	CG	427	7.113	175.115	128.143	13.108	7
	CZ	304	6.839	165.718	155.606	13.345	3
	N	37227	0.2	818	120.706	11.454	37
VAL	H	85679	-0.41	120.980	8.268	0.780	202
	HA	56678	-2.83	54.971	4.166	0.625	128
	HB	52774	-27.480	31.75	1.980	0.444	412
	MG1	53633	-27.2	24.20	0.819	0.330	608
	MG2	52699	-27.2	56.56	0.802	0.424	278
	C	55308	1	205.699	175.650	3.307	29
	CA	76046	20.668	362.057	62.510	3.165	108
	CB	70497	15.597025	331.747	32.707	2.249	151
	CG1	47597	-7.4	321.185	21.537	2.381	91
	CG2	45984	-5.648	320.420	21.345	2.478	93
	N	82754	0.2	529	121.138	7.158	93