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	88033	-0.914	69.229	8.193	0.640	497
	HA	59437	-2.52	17.870	4.245	0.443	1142
	MB	57353	-14.040	5.48	1.352	0.280	1032
	C	56803	0.037	187.2	177.732	3.757	40
	CA	77997	17.007	354.698	53.164	2.762	89
	CB	74048	-40.993	318.868	19.049	3.050	201
	N	84087	0.049	766	123.352	5.998	93
ARG	H	58552	0.011	178	8.241	1.047	36
	HA	40708	1.212	12.57	4.289	0.468	477
	HB2	36939	-4.78	27.530	1.790	0.310	475
	HB3	34958	-1.320	27.530	1.759	0.322	506
	HD2	32446	-6.44	5.0	3.107	0.266	643
	HD3	29583	-0.690	5.0	3.091	0.285	621
	HE	11000	1.150	116.661	7.448	2.825	7
	HG2	33010	-1.45	4.2	1.558	0.284	599
	HG3	30643	-1.298	5.47	1.539	0.298	632
	HH11	970	4.41	11.7	6.939	0.577	22
	HH12	737	4.41	10.727	6.882	0.544	17
	HH21	836	1.233	11.352	6.826	0.651	19
	HH22	683	1.233	60.1410	6.907	2.139	1
	C	35682	0.174	184.96	176.414	3.352	13
	CA	50527	8.369	358.124	56.779	3.333	57
	CB	47063	16.52	329.120	30.692	2.507	126
	CD	28063	18.9350	342.642	43.200	2.926	46
	CG	27812	12.17	328.290	27.257	3.028	42
	CZ	750	43.199	184.497	160.133	7.410	8
	N	54363	0.125	433.808	120.818	4.752	83
	NE	6903	-23.150	149.1080	90.086	13.727	53
	NH1	282	6.450	124.7890	78.832	13.708	6
	NH2	245	66.2	128.470	78.595	14.121	7
ASN	H	48223	0.008	121.370	8.331	0.970	131
	HA	33455	0.896	7.110	4.661	0.362	466
	HB2	31366	-0.827	8.883	2.800	0.334	495
	HB3	30299	-0.948	5.806	2.742	0.359	509
	HD21	23579	0.783	111.320	7.337	0.848	48
	HD22	23311	0.905	111.320	7.144	0.865	110
	C	30119	0.114	185.3000	175.218	3.545	17
	CA	42469	2.200	354.022	53.545	3.500	28
	CB	40271	1.9620	342.798	38.724	3.579	45
	CG	2708	0.000	185.503	176.236	8.730	11
	N	45335	0.041	426.314	118.933	5.109	29
	ND2	20435	21.038	1114.29	112.903	12.599	11
ASP	H	69754	-0.35	25.876	8.300	0.590	578
	HA	47053	-3.75	8.66	4.584	0.326	687
	HB2	43875	-5.2	37.4	2.716	0.509	76
	HB3	42175	-1.46	37.2	2.667	0.516	104
	HD2	18	1.160	12.30	5.991	3.334
	C	44334	0.106	184.14	176.363	3.547	24
	CA	61370	5.630	354.531	54.690	2.710	67
	CB	58145	9.7	341.273	40.893	2.552	147
	CG	976	2.637	188.215	177.232	17.972	13
	N	66966	0.061	428.093	120.696	4.630	98
CYS	H	24140	3.723	12.660	8.380	0.695	149
	HA	19609	-9.858	43.5	4.679	0.974	59
	HB2	18875	-39.82	363.580	3.134	6.324	41
	HB3	18403	-44.2	363.580	3.055	5.732	43
	HG	255	-1.830	10.700	2.027	1.351	4
	C	11585	1.000	187.591	174.771	3.455	10
	CA	17443	30.6688	90.374	58.018	3.497	24
	CB	16628	17.99	111.008	33.412	6.614	20
	N	19179	-147	628	120.429	18.086	82
GLN	H	49586	0.000	66.542	8.217	0.652	231
	HA	33666	0.403	7.43	4.265	0.432	556
	HB2	30597	-1.514	10.461	2.043	0.276	418
	HB3	29160	-1.4980	20.9	2.013	0.326	354
	HE21	21557	-3.41	23.893	7.220	0.497	191
	HE22	21443	1.025	113.695	7.035	0.877	30
	HG2	28580	-1.76	33.5990	2.313	0.337	335
	HG3	26554	-1.395	34.946	2.293	0.361	362
	C	31836	0.069	1755.998	176.338	9.539	13
	CA	44164	1.733	356.830	56.559	2.630	47
	CB	41385	1.843	328.286	29.193	2.523	127
	CD	2639	6.789	190.624	179.303	7.592	7
	CG	25429	2.097	333.032	33.806	2.553	41
	N	47572	0.000	418.059	119.969	4.170	127
	NE2	19431	33.9	412.160	111.882	2.979	60
GLU	H	90258	0.008	122.9	8.330	0.741	327
	HA	61331	0.433	8.02	4.241	0.413	1085
	HB2	55531	-1.470	4.82	2.018	0.222	787
	HB3	52286	-1.633	8.095	1.994	0.228	758
	HE2	18	0.801	11.96	4.709	2.604
	HG2	51290	-0.674	4.69	2.264	0.222	842
	HG3	47806	-0.10	4.69	2.245	0.224	774
	C	58373	0.074	184.71	176.831	4.259	40
	CA	79666	1.056	360.826	57.326	3.257	75
	CB	74453	9.08	330.834	30.015	3.137	119
	CD	1031	0.000	198.609	181.111	14.713	8
	CG	46051	6.16	337.230	36.142	2.939	65
	N	86937	0.044	422.043	120.720	4.677	114
GLY	H	87244	-15.3	121.881	8.327	0.763	761
	HA2	58601	-3.4	8.64	3.961	0.398	952
	HA3	55813	-3.936	43.9930	3.888	0.439	779
	C	55076	1.000	189.533	173.836	3.407	55
	CA	77390	2.200	344.994	45.377	2.208	169
	N	82221	0.2	791	109.676	7.017	201
HIS	H	24839	-0.3	13.34	8.257	0.732	263
	HA	17744	0.676	11.38	4.616	0.564	230
	HB2	16547	-2.168	45.897	3.159	1.113	129
	HB3	16093	-6.2	38.5	3.099	1.082	139
	HD1	1022	-15	86.5	9.976	8.556	23
	HD2	11696	-25.85	67.8	7.147	3.252	90
	HE1	9199	-26.6	134.811	7.833	2.527	63
	HE2	389	-15	76.4	11.096	7.889	11
	C	15358	1.000	184.204	175.135	4.682	15
	CA	22222	11.40	355.084	56.518	3.394	62
	CB	20845	13.496	329.046	30.323	3.174	60
	CD2	7597	7.19	159.946	119.909	5.664	50
	CE1	5952	8.198	166.282	137.247	5.695	55
	CG	268	18.669	139.83	131.182	9.549	3
	N	23246	0.2	427.146	119.667	5.236	41
	ND1	816	31.026	261.013	193.109	32.573	2
	NE2	754	17.0	257.572	180.840	20.342	20
ILE	H	60720	0.008	11.871	8.263	0.692	298
	HA	41414	-9.0	173.538	4.166	1.005	7
	HB	38990	-2.442	38.700	1.783	0.398	212
	HG12	35433	-10.1	5.56	1.263	0.453	272
	HG13	34087	-10.1	9.71	1.192	0.484	252
	MD	39477	-4.15	13.891	0.671	0.332	628
	MG	37331	-3.919	6.23	0.768	0.305	594
	C	38779	0	187.551	175.804	4.499	29
	CA	53800	20.877	362.184	61.626	3.350	63
	CB	50187	-34.477	339.785	38.580	2.915	83
	CD1	35573	2.7	314.600	13.501	3.460	110
	CG1	31630	8.0	329.288	27.755	3.328	138
	CG2	33552	0.79	317.615	17.605	3.227	101
	N	58100	0.0000	531	121.420	6.022	89
LEU	H	100652	-0.3	119.596	8.219	0.740	306
	HA	68299	0.000	119.411	4.303	0.643	72
	HB2	62780	-1.522	8.02	1.608	0.360	808
	HB3	60255	-1.79	8.39	1.523	0.376	869
	HG	55578	-2.08	5.7	1.502	0.348	678
	MD1	63929	-3.42	30.176	0.748	0.331	983
	MD2	61421	-3.42	24.504	0.728	0.358	780
	C	64401	0.071	189.78	176.993	3.663	29
	CA	89124	1.056	158.320	55.656	2.233	190
	CB	83328	7.439	93.180	42.245	2.016	541
	CD1	55699	0.683	120.700	24.672	2.041	209
	CD2	53122	0.280	116.300	24.118	2.124	164
	CG	48779	0.000	75.280	26.805	1.491	359
	N	95972	0.044	627	121.950	7.726	72
LYS	H	85213	0.002	64.423	8.175	0.667	503
	HA	59076	-0.118	32.650	4.258	0.457	644
	HB2	53184	-1.416	10.94	1.774	0.266	865
	HB3	50138	-3.038	9.43	1.746	0.283	832
	HD2	42719	-1.6800	119.620	1.607	0.641	30
	HD3	38335	-2.02	29.047	1.595	0.272	561
	HE2	41992	-0.493	42.02	2.910	0.288	466
	HE3	37018	-0.046	7.344	2.903	0.223	789
	HG2	48103	-1.654	6.7	1.363	0.272	987
	HG3	44396	-1.83	5.575	1.348	0.282	939
	C	52164	0.112	996.253	176.618	5.702	38
	CA	72807	1.155	359.222	56.951	3.193	71
	CB	67974	-26.686	332.988	32.788	2.910	96
	CD	38981	0.834	329.284	28.996	2.630	75
	CE	37590	-0.130	342.334	41.926	3.033	68
	CG	41377	12.109	325.487	24.960	3.120	96
	N	79632	0.041	427.245	121.037	4.679	125
	NZ	304	1.950	177.2	51.755	32.982	2
	QZ	1636	-10.9	10.506	7.338	1.041	44
MET	H	23724	-0.21	177	8.258	1.255	15
	HA	16783	-0.93	313.565	4.410	2.435	1
	HB2	15045	-27.312	33.750	2.024	0.582	85
	HB3	14192	-27.312	12.94	1.995	0.521	106
	HG2	13816	-33.86	32.7	2.377	1.458	44
	HG3	13078	-33.86	31.7	2.351	1.570	48
	ME	10673	-24.86	10.2000	1.774	1.556	81
	C	15647	2.200	183.25	176.198	3.313	5
	CA	22107	25.7283	85.327	56.145	2.290	59
	CB	20445	0.2	332.173	32.972	3.208	49
	CE	9684	0.000	317.645	17.249	4.234	54
	CG	11911	2.30	332.686	32.071	3.232	28
	N	22940	0.000	428.252	120.062	4.983	36
PHE	H	43323	-0.5	12.1759	8.336	0.731	266
	HA	29257	1.33	59.70	4.618	0.725	24
	HB2	27291	-0.463	7.979	2.993	0.380	378
	HB3	26616	-0.212	12.72	2.935	0.400	390
	HD1	22926	0.603	12.154	7.038	0.398	224
	HD2	19401	0.603	12.154	7.039	0.411	195
	HE1	20029	-2.838	14.080	7.062	0.452	168
	HE2	17143	0	12.9	7.060	0.447	159
	HZ	14023	-7.14	43.623	6.993	0.717	115
	C	27137	0.088	184.929	175.445	3.056	9
	CA	37805	4.917	363.618	58.104	3.805	36
	CB	35485	2.161	341.700	39.954	3.596	45
	CD1	13760	7.160	143.4500	131.176	5.973	70
	CD2	9768	7.160	140.309	131.328	4.554	35
	CE1	11989	0.000	149.609	130.321	5.811	61
	CE2	8502	7.472	149.609	130.532	4.012	35
	CG	427	7.229	156.3	137.316	11.577	4
	CZ	8910	7.351	165.611	129.018	4.170	32
	N	41042	0.067	422.843	120.393	5.444	51
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	33423	0.636	135.80	4.387	0.801	44
	HB2	31063	-1.501	5.63	2.070	0.371	541
	HB3	30170	-3.48	6.10	1.996	0.383	568
	HD2	28758	-6.56	7.67	3.636	0.447	426
	HD3	27764	-6.56	8.865	3.602	0.467	502
	HG2	27962	-2.35	7.395	1.918	0.341	668
	HG3	26008	-1.520	4.92	1.894	0.351	630
	C	29033	0	183.517	176.635	4.360	30
	CA	41609	0	363.087	63.332	3.592	80
	CB	38791	0	333.586	31.887	3.145	71
	CD	25281	1.155	350.648	50.344	3.200	61
	CG	25176	2.436	327.402	27.275	3.711	44
	N	2092	3.566	430	134.606	24.650	37
SER	H	73163	-15.3	116.95709	8.277	0.722	301
	HA	50959	1.277	58.739	4.477	0.475	426
	HB2	46702	0.61	9.182	3.867	0.278	728
	HB3	43409	0.61	41.7	3.843	0.343	503
	HG	930	0.13	11.36	5.436	1.202	23
	C	47144	0.000	197.1	174.588	3.238	32
	CA	66351	4.331	361.278	58.693	2.795	70
	CB	61563	-939.2800	365.087	63.723	4.957	171
	N	69445	0.000	416.964	116.291	4.246	196
THR	H	65255	0.02	21.7	8.232	0.639	551
	HA	44710	0.87	7.468	4.451	0.479	265
	HB	41059	0.087	71.587	4.168	0.653	80
	HG1	1646	-1.783	11.01	5.215	1.395	39
	MG	40998	-12.1	16.3	1.138	0.278	521
	C	41033	4.780	185.918	174.458	4.045	35
	CA	57472	0.971	92.659	62.212	2.759	106
	CB	53370	-939.2800	629.206	69.588	5.612	164
	CG2	34838	7.177	175.6	21.590	1.913	113
	N	62145	0.0	402	115.400	6.309	64
TRP	H	14291	3.421	17.315	8.269	0.781	92
	HA	9865	2.043	11.414	4.678	0.533	77
	HB2	9342	0.42	5.35	3.178	0.350	143
	HB3	9080	-0.3776	7.972	3.115	0.372	137
	HD1	8329	1.880	10.75	7.128	0.364	128
	HE1	9257	-1.279	131.711	10.094	1.442	38
	HE3	7230	1.85	12.233	7.299	0.524	129
	HH2	7174	2.84	10.900	6.953	0.454	111
	HZ2	7815	2.63	10.81	7.267	0.411	115
	HZ3	6969	0.76	8.898	6.849	0.471	93
	C	8579	2.500	184.30	175.979	6.011	12
	CA	12058	2.966	362.099	57.713	4.778	12
	CB	11247	1.6	328.795	30.085	4.758	23
	CD1	5306	30.236	183.141	126.330	4.459	23
	CD2	187	1.578	155.174	127.124	13.106	2
	CE2	248	56.4176	177.710	137.538	9.569	6
	CE3	4432	-10.872	174.807	120.175	5.532	29
	CG	260	4.174	116.526	110.120	8.994	2
	CH2	4682	-6.333	160.818	123.540	5.010	22
	CZ2	5056	7.107	159.041	114.042	4.598	30
	CZ3	4456	-8.702	161.540	121.152	4.650	22
	N	13058	6.712	423.160	121.652	6.008	13
	NE1	7586	0.53	435.960	129.269	6.278	32
TYR	H	37045	0.02	12.34	8.292	0.740	182
	HA	25237	0.442	7.160	4.609	0.562	210
	HB2	23528	-21.230	23.28	2.898	0.465	197
	HB3	22994	-21.230	23.28	2.834	0.482	238
	HD1	20331	0.190	10.5	6.920	0.373	239
	HD2	17379	0.5522	10.499	6.916	0.377	213
	HE1	19283	0.08	11.8	6.690	0.309	162
	HE2	16583	0.43	11.7	6.690	0.319	148
	HH	442	-0.788	31	9.103	2.096	5
	C	22596	2.200	184.78	175.374	4.672	22
	CA	31575	2.200	357.681	58.142	3.093	25
	CB	29330	18.38	338.686	39.302	3.122	43
	CD1	12421	19.589	141.572	132.368	5.266	66
	CD2	8533	3.492	139.644	132.369	5.300	49
	CE1	12199	40.435	182.764	117.733	4.082	110
	CE2	8408	34.1221	154.10	117.775	3.334	69
	CG	397	7.113	175.115	128.323	12.376	6
	CZ	289	6.839	165.718	155.531	13.683	3
	N	34549	0.2	818	120.736	11.826	35
VAL	H	79744	-0.41	120.980	8.271	0.789	170
	HA	54437	-2.83	54.971	4.168	0.628	127
	HB	50841	-27.480	31.75	1.980	0.449	393
	MG1	51278	-27.2	24.20	0.819	0.332	571
	MG2	50280	-27.2	56.56	0.801	0.430	252
	C	51391	1	205.699	175.633	3.396	28
	CA	70824	20.668	362.057	62.497	3.191	102
	CB	65750	15.597025	331.747	32.715	2.284	143
	CG1	45236	-7.4	321.185	21.543	2.424	90
	CG2	43598	-5.648	320.420	21.343	2.521	92
	N	76732	0.2	529	121.144	7.326	83