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	92327	-0.914	131.25	8.193	0.850	150
	HA	60991	-2.52	17.870	4.245	0.442	1174
	MB	59031	-14.040	5.48	1.352	0.278	1072
	C	59477	0.037	187.2	177.738	3.695	40
	CA	81637	17.007	354.698	53.161	2.730	89
	CB	77631	-40.993	318.868	19.047	3.013	204
	N	88418	0.049	766	123.352	5.934	104
ARG	H	61383	0.011	178	8.241	1.031	39
	HA	41822	1.212	12.57	4.289	0.468	489
	HB2	37877	-4.78	27.530	1.789	0.309	491
	HB3	35863	-1.320	27.530	1.759	0.321	520
	HD2	33261	-6.44	5.0	3.107	0.266	665
	HD3	30363	-0.690	44.092	3.093	0.370	361
	HE	11279	1.150	116.661	7.448	2.792	7
	HG2	33838	-1.45	4.2	1.558	0.284	619
	HG3	31436	-1.298	5.47	1.539	0.298	654
	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	37548	0.174	184.96	176.420	3.295	13
	CA	53091	8.369	358.124	56.777	3.286	59
	CB	49375	16.52	329.120	30.686	2.475	128
	CD	28860	18.9350	342.642	43.199	2.889	46
	CG	28612	12.17	328.290	27.256	2.990	48
	CZ	798	43.199	184.497	160.082	7.254	8
	N	57140	0.125	433.808	120.820	4.696	88
	NE	7060	-23.150	149.1080	89.997	13.619	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	50561	0.008	121.370	8.364	2.143	24
	HA	34397	0.896	7.110	4.660	0.361	476
	HB2	32222	-0.827	8.883	2.799	0.334	510
	HB3	31116	-0.948	5.806	2.743	0.358	522
	HD21	24175	0.687	111.320	7.335	0.843	52
	HD22	23899	0.905	111.320	7.146	0.858	110
	C	31698	0.114	185.3000	175.219	3.552	18
	CA	44607	2.200	354.022	53.543	3.438	29
	CB	42263	1.9620	342.798	38.722	3.510	47
	CG	2785	0.000	185.503	176.189	9.049	12
	N	47666	0.041	426.314	118.900	5.440	40
	ND2	20979	21.038	1114.29	112.884	12.453	12
ASP	H	72964	-0.35	25.876	8.298	0.588	604
	HA	48215	-3.75	8.66	4.584	0.326	700
	HB2	44907	-5.2	37.4	2.716	0.504	84
	HB3	43150	-1.46	37.2	2.666	0.512	110
	HD2	21	1.160	12.30	5.832	3.100
	C	46469	0.106	184.14	176.368	3.482	24
	CA	64227	5.630	354.531	54.687	2.680	70
	CB	60824	9.7	341.273	40.891	2.513	155
	CG	1025	2.637	188.215	177.161	18.377	14
	N	70200	0.061	428.093	120.700	4.586	102
CYS	H	25029	3.723	12.660	8.376	0.697	155
	HA	20016	-9.858	43.5	4.679	0.967	59
	HB2	19249	-39.82	363.580	3.130	6.262	42
	HB3	18769	-44.2	363.580	3.052	5.676	43
	HG	259	-1.830	10.700	2.035	1.346	4
	C	12070	1.000	187.591	174.770	3.406	10
	CA	18215	30.6688	90.374	58.006	3.502	23
	CB	17367	17.99	111.008	33.442	6.644	21
	N	20032	-147	628	120.398	17.719	82
GLN	H	52101	0.000	122.824	8.248	1.991	23
	HA	34547	0.000	7.43	4.264	0.432	567
	HB2	31367	-1.514	10.461	2.043	0.275	428
	HB3	29887	-1.4980	20.9	2.013	0.324	362
	HE21	22146	-3.41	23.893	7.218	0.504	194
	HE22	22023	0.000	113.695	7.036	0.869	31
	HG2	29250	-1.76	33.5990	2.314	0.335	342
	HG3	27181	-1.395	34.946	2.293	0.359	378
	C	33481	0.069	1755.998	176.339	9.309	13
	CA	46305	1.733	356.830	56.557	2.605	48
	CB	43385	1.843	328.286	29.192	2.492	139
	CD	2742	6.789	190.624	179.324	7.452	7
	CG	26149	2.097	333.032	33.807	2.523	42
	N	50078	0.000	418.059	119.943	4.556	86
	NE2	19971	33.9	412.160	111.871	2.975	65
GLU	H	94322	0.008	122.9	8.329	0.734	360
	HA	62842	0.433	8.02	4.241	0.412	1136
	HB2	56808	-1.470	4.82	2.018	0.221	816
	HB3	53497	-1.633	8.095	1.995	0.228	776
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	52434	-0.674	4.69	2.264	0.221	876
	HG3	48889	-0.10	4.69	2.245	0.223	791
	C	61115	0.074	184.71	176.841	4.179	40
	CA	83185	1.056	360.826	57.327	3.214	77
	CB	77766	9.08	330.834	30.011	3.086	126
	CD	1075	0.000	198.609	181.150	14.414	8
	CG	47249	6.16	337.230	36.144	2.907	66
	N	91032	0.044	422.043	120.721	4.624	121
GLY	H	91491	-15.3	121.881	8.326	0.756	838
	H1	1	8.677	8.677	8.677
	HA2	60004	-3.4	8.64	3.961	0.398	967
	HA3	57121	-3.936	43.9930	3.888	0.437	802
	C	57918	1.000	189.533	173.843	3.343	58
	CA	81138	2.200	344.994	45.374	2.173	171
	N	86524	0.2	791	109.663	6.881	215
HIS	H	25911	-0.3	13.34	8.253	0.730	271
	HA	18184	0.676	11.38	4.616	0.560	231
	HB2	16926	-2.168	45.897	3.157	1.101	130
	HB3	16452	-6.2	38.5	3.099	1.071	140
	HD1	1049	-15	86.5	9.937	8.450	23
	HD2	11898	-25.85	67.8	7.145	3.225	90
	HE1	9340	-26.6	134.811	7.835	2.509	63
	HE2	391	-15	76.4	11.080	7.872	11
	C	16063	1.000	184.204	175.140	4.596	15
	CA	23188	11.40	355.084	56.517	3.353	62
	CB	21763	13.496	329.046	30.321	3.129	65
	CD2	7764	7.19	159.946	119.910	5.614	53
	CE1	6070	8.198	166.282	137.250	5.648	55
	CG	275	18.669	139.83	131.245	9.452	3
	N	24310	0.2	427.146	119.667	5.204	44
	ND1	832	31.026	261.013	192.608	32.475	2
	NE2	755	17.0	257.572	180.854	20.332	20
ILE	H	63740	0.008	11.871	8.261	0.691	314
	HA	42573	-9.0	173.538	4.165	0.996	7
	HB	40001	-2.442	38.700	1.783	0.395	222
	HG12	36319	-10.1	5.56	1.263	0.451	277
	HG13	34944	-10.1	9.71	1.194	0.482	259
	MD	40724	-4.15	13.891	0.672	0.330	652
	MG	38395	-3.919	6.23	0.769	0.304	607
	C	40686	0	187.551	175.815	4.410	29
	CA	56437	20.877	362.184	61.629	3.322	64
	CB	52556	-34.477	339.785	38.570	2.875	89
	CD1	36807	2.7	314.600	13.501	3.418	113
	CG1	32539	8.0	329.288	27.761	3.292	143
	CG2	34604	0.79	317.615	17.603	3.184	111
	N	61132	0.0000	531	121.447	6.013	119
LEU	H	105291	-0.3	119.596	8.217	0.734	333
	HA	69973	0.000	119.411	4.302	0.639	73
	HB2	64258	-1.800	8.02	1.607	0.359	833
	HB3	61658	-1.79	8.39	1.524	0.376	892
	HG	56715	-2.08	5.965	1.502	0.349	695
	MD1	65733	-3.42	30.176	0.747	0.330	1027
	MD2	63265	-3.42	24.504	0.727	0.356	804
	C	67360	0.071	189.78	177.001	3.601	29
	CA	93158	1.056	158.320	55.657	2.228	194
	CB	86997	7.439	93.180	42.237	2.005	568
	CD1	57503	0.683	120.700	24.667	2.028	215
	CD2	54952	0.280	116.300	24.129	2.114	176
	CG	49991	0.000	75.280	26.805	1.484	372
	N	100694	0.044	627	121.949	7.643	102
LYS	H	89061	0.002	64.423	8.175	0.663	542
	HA	60502	-0.118	32.650	4.257	0.455	661
	HB2	54376	-1.416	10.94	1.774	0.266	878
	HB3	51299	-3.038	9.43	1.746	0.282	854
	HD2	43624	-1.6800	119.620	1.607	0.635	32
	HD3	39207	-2.02	29.047	1.596	0.270	580
	HE2	42918	-0.493	42.02	2.911	0.286	485
	HE3	37874	-0.046	7.344	2.903	0.222	796
	HG2	49130	-1.654	6.7	1.363	0.272	1002
	HG3	45394	-1.83	5.575	1.348	0.282	956
	C	54577	0.112	996.253	176.625	5.588	38
	CA	76004	1.155	359.222	56.952	3.156	74
	CB	70953	-26.686	332.988	32.784	2.867	103
	CD	39992	0.834	329.284	28.995	2.601	75
	CE	38572	-0.130	342.334	41.925	2.999	71
	CG	42473	12.109	325.487	24.959	3.083	96
	N	83494	0.041	427.245	121.051	4.637	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	24887	-0.21	177	8.255	1.232	18
	HA	17226	-0.93	313.565	4.410	2.404	1
	HB2	15399	-27.312	33.750	2.024	0.577	85
	HB3	14524	-27.312	12.94	1.995	0.517	111
	HG2	14131	-33.86	32.7	2.378	1.443	44
	HG3	13371	-33.86	31.7	2.353	1.553	49
	ME	10952	-24.86	10.2000	1.776	1.537	87
	C	16456	2.200	183.25	176.200	3.257	5
	CA	23218	25.7283	85.327	56.139	2.282	59
	CB	21460	0.2	332.173	32.970	3.162	53
	CE	9958	0.000	317.645	17.249	4.180	55
	CG	12226	2.30	332.686	32.070	3.196	28
	N	24122	0.000	428.252	120.079	5.028	42
PHE	H	45181	-0.5	12.1759	8.334	0.729	278
	HA	29995	1.33	59.70	4.618	0.721	25
	HB2	27959	-0.463	7.979	2.992	0.381	382
	HB3	27254	-0.212	12.72	2.935	0.399	404
	HD1	23390	0.603	12.154	7.038	0.397	231
	HD2	19821	0.603	12.154	7.039	0.409	201
	HE1	20422	-2.838	14.080	7.063	0.449	171
	HE2	17504	0	12.9	7.061	0.444	162
	HZ	14267	-7.14	43.623	6.993	0.713	115
	C	28445	0.088	184.929	175.450	3.009	9
	CA	39523	4.917	363.618	58.107	3.758	37
	CB	37090	2.161	341.700	39.942	3.538	46
	CD1	14087	7.160	148.7280	131.188	5.907	70
	CD2	9984	7.160	140.309	131.336	4.507	35
	CE1	12260	0.000	149.609	130.335	5.749	61
	CE2	8683	7.472	149.609	130.544	3.972	38
	CG	437	7.229	156.3	137.324	11.447	4
	CZ	9106	7.351	165.611	129.030	4.132	33
	N	42904	0.067	422.843	120.398	5.465	64
PRO	H	5	8.160	8.995	8.598	0.354
	H2	5	8.070	9.673	8.756	0.710
	HA	34263	0.636	135.80	4.387	0.792	45
	HB2	31755	-1.501	5.63	2.069	0.371	553
	HB3	30852	-3.48	6.10	1.997	0.383	579
	HD2	29344	-6.56	7.67	3.636	0.446	435
	HD3	28338	-6.56	8.865	3.603	0.467	511
	HG2	28546	-2.35	7.395	1.918	0.341	686
	HG3	26579	-1.520	4.92	1.895	0.351	646
	C	30475	0	183.517	176.641	4.304	31
	CA	43559	0	363.087	63.333	3.565	81
	CB	40589	0	333.586	31.880	3.087	74
	CD	25925	1.155	350.648	50.343	3.165	63
	CG	25845	2.436	327.402	27.272	3.667	44
	N	2260	0.140	430	134.540	24.027	39
SER	H	76795	-15.3	116.95709	8.275	0.714	329
	HA	52266	1.277	58.739	4.476	0.473	445
	HB2	47784	0.61	9.182	3.867	0.277	757
	HB3	44413	0.61	41.7	3.844	0.341	522
	HG	969	0.13	11.36	5.422	1.186	23
	C	49537	0.000	197.1	174.585	3.273	34
	CA	69584	4.331	361.278	58.691	2.763	76
	CB	64588	-939.2800	365.087	63.726	4.852	174
	N	73087	0.000	416.964	116.291	4.199	217
THR	H	68248	0.02	21.7	8.229	0.637	582
	HA	45780	0.87	7.468	4.450	0.478	270
	HB	41958	0.087	71.587	4.168	0.647	84
	HG1	1689	-1.783	11.01	5.209	1.389	41
	MG	41867	-12.1	16.3	1.139	0.277	530
	C	42966	4.780	185.918	174.461	3.969	35
	CA	60139	0.971	92.659	62.209	2.752	113
	CB	55796	-939.2800	629.206	69.591	5.500	165
	CG2	35733	7.177	175.6	21.590	1.899	116
	N	65152	0.0	402	115.386	6.242	67
TRP	H	14945	3.421	17.315	8.267	0.780	98
	HA	10130	2.043	172.573	4.694	1.751	2
	HB2	9579	0.42	5.35	3.178	0.349	146
	HB3	9308	-0.3776	7.972	3.115	0.373	140
	HD1	8520	1.880	10.75	7.128	0.362	134
	HE1	9524	-1.279	131.711	10.097	1.424	42
	HE3	7404	1.85	12.233	7.300	0.520	132
	HH2	7343	2.84	10.900	6.955	0.452	114
	HZ2	7995	2.63	10.81	7.269	0.408	119
	HZ3	7130	0.76	8.898	6.852	0.468	94
	C	9001	2.500	184.30	175.993	5.883	12
	CA	12662	2.966	362.099	57.720	4.692	14
	CB	11786	1.6	328.795	30.070	4.665	23
	CD1	5446	30.236	183.141	126.342	4.408	23
	CD2	189	1.578	155.174	127.137	13.037	2
	CE2	257	56.4176	177.710	137.569	9.406	6
	CE3	4558	-10.872	174.807	120.189	5.459	29
	CG	267	4.174	129.700	110.247	8.997	2
	CH2	4813	-6.333	160.818	123.554	4.945	22
	CZ2	5194	7.107	159.041	114.056	4.539	30
	CZ3	4585	-8.702	161.540	121.171	4.591	22
	N	13683	6.712	423.160	121.645	5.923	14
	NE1	7806	0.53	435.960	129.279	6.197	34
TYR	H	38579	0.02	12.34	8.290	0.738	185
	HA	25787	0.442	7.160	4.610	0.562	211
	HB2	24009	-21.230	23.28	2.898	0.463	199
	HB3	23446	-21.230	23.28	2.834	0.480	247
	HD1	20691	0.190	10.5	6.920	0.371	242
	HD2	17708	0.5522	10.499	6.917	0.375	213
	HE1	19606	0.08	11.8	6.690	0.307	167
	HE2	16886	0.43	11.7	6.690	0.317	149
	HH	446	-0.788	31	9.095	2.089	5
	C	23674	2.200	184.78	175.382	4.582	22
	CA	32988	2.200	357.681	58.140	3.066	26
	CB	30608	18.38	338.686	39.296	3.085	48
	CD1	12665	19.40	141.572	132.370	5.313	65
	CD2	8703	3.492	139.644	132.382	5.250	50
	CE1	12432	40.435	182.764	117.740	4.045	110
	CE2	8568	34.1221	154.10	117.780	3.304	71
	CG	418	7.113	175.115	128.119	13.241	7
	CZ	302	6.839	165.718	155.592	13.388	3
	N	36079	0.2	818	120.719	11.609	36
VAL	H	83455	-0.41	120.980	8.269	0.783	190
	HA	55746	-2.83	54.971	4.167	0.626	128
	HB	51987	-27.480	31.75	1.980	0.446	408
	MG1	52650	-27.2	24.20	0.818	0.332	589
	MG2	51675	-27.2	56.56	0.801	0.427	268
	C	53810	1	205.699	175.641	3.339	28
	CA	74011	20.668	362.057	62.502	3.174	107
	CB	68681	15.597025	331.747	32.710	2.261	149
	CG1	46614	-7.4	321.185	21.538	2.398	91
	CG2	44964	-5.648	320.420	21.345	2.495	92
	N	80521	0.2	529	121.145	7.217	89