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	98443	-0.914	131.25	8.193	0.835	184
	HA	63586	-2.52	17.870	4.244	0.441	1247
	MB	61577	-14.040	5.48	1.352	0.277	1123
	C	63674	0.037	187.2	177.752	3.612	44
	CA	86974	17.007	354.698	53.163	2.686	91
	CB	82725	-40.993	318.868	19.037	2.950	210
	N	94408	0.049	766	123.347	5.803	108
ARG	H	65017	0.011	178	8.240	1.011	44
	HA	43455	1.212	12.57	4.287	0.466	523
	HB2	39302	-4.78	27.530	1.789	0.308	513
	HB3	37147	-1.350	27.530	1.760	0.319	537
	HD2	34495	-6.44	5.0	3.107	0.265	688
	HD3	31442	-0.690	44.092	3.093	0.366	376
	HE	11649	1.150	116.661	7.445	2.750	7
	HG2	35073	-1.45	4.2	1.558	0.283	647
	HG3	32567	-1.298	5.47	1.540	0.298	677
	HH11	986	4.41	11.7	6.935	0.572	22
	HH12	752	4.41	10.727	6.881	0.539	18
	HH21	845	1.233	11.352	6.827	0.649	19
	HH22	695	1.233	60.1410	6.907	2.121	1
	C	39889	0.174	184.96	176.429	3.231	13
	CA	56346	8.369	358.124	56.777	3.235	63
	CB	52353	16.52	329.120	30.676	2.436	143
	CD	30073	18.9350	342.642	43.197	2.836	47
	CG	29816	1.0	328.290	27.251	2.944	54
	CZ	841	43.199	184.497	160.064	7.095	9
	N	60713	0.125	433.808	120.824	4.638	96
	NE	7257	-23.150	149.1080	89.981	13.572	55
	NH1	292	6.450	124.7890	79.111	13.771	6
	NH2	252	66.2	128.470	79.000	14.238	7
ASN	H	53674	0.008	121.370	8.361	2.085	24
	HA	35752	0.896	7.110	4.661	0.361	490
	HB2	33428	-0.827	8.883	2.799	0.334	527
	HB3	32273	-0.948	5.806	2.744	0.355	537
	HD21	24951	0.687	111.320	7.335	0.834	52
	HD22	24651	0.905	111.320	7.146	0.849	112
	C	33700	0.114	187.551	175.227	3.471	20
	CA	47290	2.200	354.022	53.539	3.368	34
	CB	44790	1.9620	342.798	38.717	3.431	49
	CG	2884	0.000	185.503	176.209	8.896	12
	N	50711	0.041	426.314	118.913	5.355	40
	ND2	21635	21.038	1114.29	112.880	12.268	12
ASP	H	77340	-0.35	25.876	8.297	0.584	648
	HA	50066	-3.75	8.66	4.583	0.324	735
	HB2	46547	-5.2	37.4	2.716	0.498	97
	HB3	44700	-1.46	37.2	2.666	0.505	114
	HD2	21	1.160	12.30	5.832	3.100
	C	49324	0.106	184.14	176.370	3.413	26
	CA	68044	5.630	354.531	54.682	2.646	73
	CB	64402	9.7	341.273	40.884	2.468	162
	CG	1095	2.637	188.215	177.264	17.793	14
	N	74516	0.061	428.093	120.708	4.553	110
CYS	H	26222	3.723	12.660	8.374	0.695	159
	HA	20678	-9.858	43.5	4.677	0.955	66
	HB2	19876	-39.82	363.580	3.125	6.163	43
	HB3	19383	-44.2	363.580	3.047	5.586	43
	HG	279	-1.830	10.700	2.073	1.417	6
	C	12655	1.000	187.591	174.761	3.356	10
	CA	19156	30.6688	90.374	58.002	3.497	24
	CB	18248	17.99	111.008	33.448	6.645	21
	N	21128	-147	628	120.366	17.281	82
GLN	H	56036	0.000	122.824	8.244	1.924	23
	HA	36024	0.000	7.43	4.263	0.429	598
	HB2	32612	-1.514	10.461	2.043	0.273	446
	HB3	31007	-1.4980	20.9	2.014	0.322	372
	HE21	22981	-3.41	23.893	7.221	0.501	198
	HE22	22707	0.000	113.695	7.037	0.859	33
	HG2	30367	-1.76	33.5990	2.314	0.332	359
	HG3	28175	-1.395	34.946	2.294	0.356	399
	C	36213	0.069	1755.998	176.349	8.964	13
	CA	49745	1.733	356.830	56.561	2.566	52
	CB	46371	1.843	328.286	29.178	2.441	147
	CD	2849	6.789	190.624	179.329	7.316	7
	CG	27325	2.097	333.032	33.807	2.475	43
	N	53949	0.000	418.059	119.956	4.472	104
	NE2	20727	33.9	412.160	111.874	2.933	69
GLU	H	100025	0.008	122.9	8.328	0.725	407
	HA	65267	0.433	8.02	4.241	0.411	1180
	HB2	58867	-1.470	4.82	2.018	0.221	836
	HB3	55400	-1.633	8.095	1.995	0.227	802
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	54245	-0.674	4.69	2.264	0.220	904
	HG3	50555	-0.10	4.69	2.246	0.222	819
	C	64894	0.074	184.71	176.848	4.080	40
	CA	88185	1.056	360.826	57.327	3.157	80
	CB	82379	9.08	330.834	30.001	3.021	133
	CD	1164	0.000	198.609	181.179	13.877	8
	CG	49115	6.16	337.230	36.143	2.860	69
	N	96709	0.044	422.043	120.733	4.554	133
GLY	H	97604	-15.3	121.881	8.327	0.748	944
	H1	2	8.373	8.677	8.525	0.215
	HA2	62490	-3.4	8.64	3.960	0.396	1015
	HA3	59442	-3.936	43.9930	3.890	0.434	833
	C	61877	1.000	189.533	173.848	3.263	66
	CA	86553	2.200	344.994	45.372	2.137	183
	N	92539	0.2	791	109.646	6.708	242
HIS	H	27551	-0.3	13.34	8.253	0.727	285
	HA	18780	0.676	11.38	4.615	0.556	236
	HB2	17448	-2.168	45.897	3.155	1.086	132
	HB3	16941	-6.2	38.5	3.098	1.057	140
	HD1	1069	-15	86.5	9.892	8.382	24
	HD2	12220	-25.85	67.8	7.141	3.183	90
	HE1	9604	-26.6	134.811	7.838	2.475	67
	HE2	396	-15	76.4	11.075	7.824	11
	C	16995	1.000	184.204	175.146	4.490	15
	CA	24429	11.40	355.084	56.511	3.303	62
	CB	22900	13.496	329.046	30.316	3.084	69
	CD2	8025	7.19	159.946	119.906	5.539	57
	CE1	6282	8.198	166.282	137.266	5.559	58
	CG	299	18.669	139.83	131.426	9.124	3
	N	25939	0.2	427.146	119.688	5.144	44
	ND1	848	31.026	261.013	192.362	32.806	2
	NE2	771	17.0	257.572	180.964	20.298	20
ILE	H	67486	0.008	11.871	8.258	0.690	335
	HA	44044	-9.0	173.538	4.163	0.984	7
	HB	41341	-2.442	38.700	1.784	0.392	236
	HG12	37468	-10.1	5.56	1.263	0.449	294
	HG13	36038	-10.1	9.71	1.195	0.481	268
	MD	42412	-4.15	13.891	0.673	0.328	682
	MG	39656	-3.919	6.23	0.769	0.303	629
	C	43116	0	187.551	175.833	4.307	29
	CA	59651	20.877	362.184	61.641	3.289	65
	CB	55447	-34.477	339.785	38.559	2.832	90
	CD1	38537	1.358	314.600	13.495	3.355	116
	CG1	33793	8.0	329.288	27.767	3.246	155
	CG2	35943	0.79	317.615	17.603	3.183	113
	N	64876	0.0000	531	121.438	5.932	128
LEU	H	112017	-0.3	119.596	8.217	0.729	366
	HA	72644	0.000	119.411	4.301	0.632	81
	HB2	66585	-1.800	8.02	1.607	0.358	868
	HB3	63866	-1.79	1579.0	1.549	6.253	1
	HG	58600	-2.08	5.965	1.503	0.348	728
	MD1	68407	-3.42	30.176	0.747	0.328	1077
	MD2	65899	-3.42	24.504	0.727	0.353	849
	C	71700	0.071	189.78	177.015	3.521	30
	CA	98907	1.056	158.320	55.659	2.220	204
	CB	92155	7.439	93.180	42.225	1.993	615
	CD1	60061	0.683	120.700	24.660	2.011	225
	CD2	57450	0.280	116.300	24.130	2.096	180
	CG	51973	0.000	75.280	26.802	1.471	391
	N	107308	0.044	627	121.936	7.465	106
LYS	H	94450	0.002	123.7085	8.192	1.561	33
	HA	62931	-0.118	32.650	4.256	0.452	697
	HB2	56498	-1.416	10.94	1.774	0.264	928
	HB3	53280	-3.038	9.43	1.748	0.280	884
	HD2	45253	-1.6800	119.620	1.608	0.625	35
	HD3	40738	-2.02	29.047	1.596	0.272	585
	HE2	44595	-0.493	42.02	2.911	0.283	513
	HE3	39357	-0.046	7.344	2.904	0.220	834
	HG2	50981	-1.654	8.362	1.364	0.272	1023
	HG3	47151	-1.83	5.575	1.349	0.280	987
	C	57992	0.112	996.253	176.637	5.440	38
	CA	80615	1.155	359.222	56.959	3.106	77
	CB	75224	-26.686	332.988	32.774	2.816	111
	CD	41667	0.834	329.284	28.995	2.557	80
	CE	40171	-0.130	342.334	41.925	2.942	72
	CG	44296	12.109	325.487	24.956	3.026	98
	N	88721	0.041	427.245	121.038	4.811	126
	NZ	335	1.950	177.2	50.382	32.612	3
	QZ	1745	-10.9	10.506	7.352	1.012	44
MET	H	26554	-0.21	177	8.254	1.199	18
	HA	17961	-0.93	313.565	4.409	2.356	1
	HB2	16036	-27.312	33.750	2.025	0.569	91
	HB3	15090	-27.312	12.94	1.996	0.511	116
	HG2	14725	-33.86	32.7	2.379	1.416	47
	HG3	13923	-33.86	31.7	2.354	1.524	49
	ME	11511	-24.86	10.2000	1.782	1.501	89
	C	17648	2.200	183.25	176.214	3.187	5
	CA	24816	25.7283	85.327	56.145	2.276	59
	CB	22896	0.2	332.173	32.958	3.104	56
	CE	10502	0.000	317.645	17.245	4.075	55
	CG	12801	2.30	332.686	32.068	3.139	32
	N	25797	0.000	428.252	120.085	4.929	43
PHE	H	47898	-0.5	12.1759	8.333	0.729	294
	HA	31171	1.33	59.70	4.616	0.716	28
	HB2	28980	-0.463	7.979	2.993	0.380	395
	HB3	28259	-0.212	12.72	2.935	0.398	414
	HD1	24141	0.603	12.154	7.039	0.394	242
	HD2	20483	0.603	12.154	7.040	0.406	205
	HE1	21065	-2.838	14.080	7.065	0.446	180
	HE2	18085	0	12.9	7.063	0.440	166
	HZ	14699	-7.14	43.623	6.995	0.705	121
	C	30171	0.088	184.929	175.450	2.958	10
	CA	41871	4.917	363.618	58.111	3.703	40
	CB	39264	2.161	341.700	39.925	3.471	50
	CD1	14639	7.160	148.7280	131.198	5.799	71
	CD2	10325	7.160	140.309	131.337	4.438	35
	CE1	12723	0.000	149.609	130.339	5.755	62
	CE2	8977	7.307	149.609	130.536	4.129	33
	CG	484	7.229	156.3	137.445	10.895	4
	CZ	9461	7.351	165.611	129.030	4.133	34
	N	45577	0.067	422.843	120.390	5.390	65
PRO	H	8	7.808	8.995	8.389	0.408
	H2	5	8.070	9.673	8.756	0.710
	HA	35571	0.636	135.80	4.386	0.780	48
	HB2	32883	-1.501	5.63	2.069	0.369	580
	HB3	31913	-3.48	6.10	1.997	0.382	597
	HD2	30305	-6.56	7.67	3.637	0.443	453
	HD3	29247	-6.56	8.353	3.603	0.463	539
	HG2	29468	-2.35	7.395	1.919	0.339	715
	HG3	27424	-1.520	4.92	1.896	0.349	664
	C	32575	0	183.517	176.653	4.177	31
	CA	46253	0	363.087	63.332	3.476	86
	CB	43052	0	333.586	31.875	3.017	77
	CD	26947	1.155	350.648	50.344	3.110	63
	CG	26904	2.436	327.402	27.270	3.600	44
	N	2578	0.140	430	134.670	22.601	39
SER	H	81656	-15.3	116.95709	8.275	0.705	358
	HA	54238	1.277	58.739	4.475	0.469	478
	HB2	49504	0.61	9.182	3.868	0.276	777
	HB3	46011	0.61	41.7	3.845	0.338	544
	HG	1010	0.13	11.36	5.414	1.190	24
	C	52787	0.000	197.1	174.590	3.195	37
	CA	73907	4.331	361.278	58.691	2.725	80
	CB	68502	-939.2800	365.087	63.727	4.721	174
	N	77940	0.000	416.964	116.292	4.147	242
THR	H	72559	0.02	21.7	8.225	0.635	616
	HA	47468	0.87	7.468	4.449	0.476	290
	HB	43346	0.087	71.587	4.169	0.639	89
	HG1	1757	-1.783	11.01	5.180	1.426	31
	MG	43342	-12.1	16.3	1.139	0.275	556
	C	45821	4.780	185.918	174.466	3.865	35
	CA	63919	0.971	92.659	62.210	2.740	119
	CB	59226	-939.2800	629.206	69.596	5.358	170
	CG2	37194	7.177	175.6	21.592	1.872	123
	N	69428	0.0	402	115.362	6.153	70
TRP	H	15763	3.421	17.315	8.266	0.781	109
	HA	10469	2.043	172.573	4.691	1.725	2
	HB2	9867	0.42	5.35	3.177	0.348	149
	HB3	9585	-0.3776	7.972	3.116	0.372	145
	HD1	8750	1.880	10.75	7.129	0.360	138
	HE1	9851	-1.279	131.711	10.098	1.403	47
	HE3	7590	1.85	12.233	7.301	0.517	135
	HH2	7531	2.84	10.900	6.957	0.448	121
	HZ2	8191	2.63	10.81	7.270	0.405	122
	HZ3	7308	0.76	8.898	6.853	0.464	95
	C	9520	2.500	184.30	176.017	5.740	12
	CA	13374	2.966	362.099	57.737	4.600	14
	CB	12375	1.6	328.795	30.046	4.571	23
	CD1	5630	30.236	183.141	126.348	4.348	23
	CD2	195	1.578	155.174	127.167	12.841	2
	CE2	268	56.4176	177.710	137.504	9.276	6
	CE3	4708	-10.872	174.807	120.211	5.382	29
	CG	279	4.174	129.700	110.283	8.807	3
	CH2	4971	-6.333	160.818	123.562	4.871	22
	CZ2	5361	7.107	159.041	114.073	4.477	32
	CZ3	4727	-8.702	161.540	121.183	4.525	22
	N	14480	6.712	423.160	121.632	5.827	14
	NE1	8096	0.53	435.960	129.274	6.096	35
TYR	H	41031	0.02	12.34	8.287	0.735	200
	HA	26704	0.442	7.160	4.608	0.560	220
	HB2	24791	-21.230	23.28	2.898	0.460	207
	HB3	24206	-21.230	23.28	2.834	0.477	256
	HD1	21292	0.190	10.5	6.921	0.369	250
	HD2	18245	0.5522	10.499	6.917	0.372	216
	HE1	20182	0.08	11.8	6.691	0.305	179
	HE2	17410	0.43	11.7	6.691	0.315	154
	HH	473	-0.788	31	9.062	2.078	5
	C	25273	2.200	184.78	175.402	4.461	22
	CA	35049	2.200	357.681	58.144	3.032	26
	CB	32492	18.38	338.686	39.280	3.032	54
	CD1	13124	19.40	141.572	132.375	5.264	68
	CD2	9010	3.492	139.644	132.384	5.223	51
	CE1	12892	40.435	182.764	117.742	3.978	112
	CE2	8896	34.1221	154.10	117.782	3.252	73
	CG	461	7.113	175.115	128.226	12.641	7
	CZ	334	6.839	165.718	155.817	12.757	3
	N	38500	0.2	818	120.691	11.285	37
VAL	H	88247	-0.41	120.980	8.267	0.776	214
	HA	57769	-2.83	54.971	4.166	0.624	129
	HB	53698	-27.480	31.75	1.980	0.441	420
	MG1	54680	-27.2	24.20	0.819	0.329	625
	MG2	53782	-27.2	56.56	0.802	0.422	293
	C	57166	1	205.699	175.654	3.270	29
	CA	78360	-17.046	362.057	62.509	3.166	110
	CB	72608	15.597025	331.747	32.700	2.235	156
	CG1	48679	-7.4	321.185	21.535	2.363	93
	CG2	47074	-5.648	320.420	21.346	2.460	95
	N	85329	0.2	529	121.134	7.086	93