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	93038	-0.914	131.25	8.193	0.848	156
	HA	61250	-2.52	17.870	4.245	0.442	1179
	MB	59274	-14.040	5.48	1.352	0.278	1073
	C	59959	0.037	187.2	177.743	3.685	40
	CA	82281	17.007	354.698	53.164	2.724	89
	CB	78218	-40.993	318.868	19.044	3.005	205
	N	89117	0.049	766	123.350	5.919	104
ARG	H	61823	0.011	178	8.240	1.028	40
	HA	42023	1.212	12.57	4.289	0.467	495
	HB2	38039	-4.78	27.530	1.789	0.309	494
	HB3	36001	-1.350	27.530	1.759	0.321	522
	HD2	33418	-6.44	5.0	3.107	0.266	667
	HD3	30489	-0.690	44.092	3.093	0.370	362
	HE	11337	1.150	116.661	7.447	2.785	7
	HG2	33994	-1.45	4.2	1.558	0.284	622
	HG3	31573	-1.298	5.47	1.539	0.298	656
	HH11	979	4.41	11.7	6.938	0.574	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	37816	0.174	184.96	176.423	3.287	13
	CA	53506	8.369	358.124	56.779	3.279	59
	CB	49753	16.52	329.120	30.685	2.469	130
	CD	28997	18.9350	342.642	43.199	2.883	46
	CG	28746	12.17	328.290	27.255	2.984	49
	CZ	799	43.199	184.497	160.080	7.249	8
	N	57543	0.125	433.808	120.818	4.690	90
	NE	7079	-23.150	149.1080	90.003	13.626	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	50993	0.008	121.370	8.363	2.134	24
	HA	34552	0.896	7.110	4.660	0.361	477
	HB2	32366	-0.827	8.883	2.799	0.333	519
	HB3	31250	-0.948	5.806	2.744	0.357	525
	HD21	24254	0.687	111.320	7.336	0.842	52
	HD22	23977	0.905	111.320	7.146	0.857	110
	C	31976	0.114	185.3000	175.222	3.540	18
	CA	45016	2.200	354.022	53.543	3.427	30
	CB	42639	1.9620	342.798	38.721	3.498	48
	CG	2786	0.000	185.503	176.189	9.048	12
	N	48096	0.041	426.314	118.897	5.430	40
	ND2	21046	21.038	1114.29	112.884	12.433	12
ASP	H	73543	-0.35	25.876	8.298	0.587	610
	HA	48409	-3.75	8.66	4.584	0.325	717
	HB2	45080	-5.2	37.4	2.716	0.504	84
	HB3	43308	-1.46	37.2	2.666	0.511	112
	HD2	21	1.160	12.30	5.832	3.100
	C	46813	0.106	184.14	176.370	3.472	24
	CA	64726	5.630	354.531	54.686	2.676	71
	CB	61268	9.7	341.273	40.890	2.506	155
	CG	1025	2.637	188.215	177.161	18.377	14
	N	70766	0.061	428.093	120.701	4.578	102
CYS	H	25174	3.723	12.660	8.375	0.697	155
	HA	20103	-9.858	43.5	4.679	0.965	59
	HB2	19332	-39.82	363.580	3.130	6.249	42
	HB3	18849	-44.2	363.580	3.052	5.664	43
	HG	261	-1.830	10.700	2.057	1.362	4
	C	12139	1.000	187.591	174.768	3.399	10
	CA	18352	30.6688	90.374	58.006	3.497	24
	CB	17501	17.99	111.008	33.452	6.650	21
	N	20170	-147	628	120.384	17.662	82
GLN	H	52557	0.000	122.824	8.247	1.983	23
	HA	34715	0.000	7.43	4.264	0.432	567
	HB2	31514	-1.514	10.461	2.043	0.275	428
	HB3	30010	-1.4980	20.9	2.014	0.324	362
	HE21	22223	-3.41	23.893	7.218	0.503	195
	HE22	22101	0.000	113.695	7.036	0.868	32
	HG2	29381	-1.76	33.5990	2.314	0.335	343
	HG3	27290	-1.395	34.946	2.294	0.358	381
	C	33775	0.069	1755.998	176.341	9.270	13
	CA	46735	1.733	356.830	56.559	2.601	48
	CB	43761	1.843	328.286	29.190	2.485	139
	CD	2743	6.789	190.624	179.325	7.451	7
	CG	26281	2.097	333.032	33.808	2.517	42
	N	50524	0.000	418.059	119.944	4.547	92
	NE2	20033	33.9	412.160	111.870	2.971	65
GLU	H	95038	0.008	122.9	8.328	0.733	364
	HA	63051	0.433	8.02	4.241	0.412	1136
	HB2	56970	-1.470	4.82	2.018	0.221	818
	HB3	53641	-1.633	8.095	1.995	0.227	785
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	52575	-0.674	4.69	2.264	0.221	879
	HG3	49018	-0.10	4.69	2.245	0.223	793
	C	61532	0.074	184.71	176.843	4.167	40
	CA	83785	1.056	360.826	57.328	3.207	77
	CB	78288	9.08	330.834	30.008	3.078	129
	CD	1075	0.000	198.609	181.150	14.414	8
	CG	47400	6.16	337.230	36.144	2.902	66
	N	91749	0.044	422.043	120.718	4.615	122
GLY	H	92194	-15.3	121.881	8.325	0.756	850
	H1	1	8.677	8.677	8.677
	HA2	60310	-3.4	8.64	3.961	0.398	972
	HA3	57410	-3.936	43.9930	3.889	0.437	797
	C	58337	1.000	189.533	173.844	3.334	58
	CA	81812	2.200	344.994	45.372	2.167	171
	N	87182	0.2	791	109.661	6.861	221
HIS	H	26107	-0.3	13.34	8.253	0.729	272
	HA	18259	0.676	11.38	4.616	0.560	231
	HB2	16992	-2.168	45.897	3.157	1.099	130
	HB3	16510	-6.2	38.5	3.099	1.069	140
	HD1	1050	-15	86.5	9.934	8.446	23
	HD2	11947	-25.85	67.8	7.145	3.218	90
	HE1	9374	-26.6	134.811	7.836	2.504	64
	HE2	391	-15	76.4	11.080	7.872	11
	C	16198	1.000	184.204	175.142	4.580	15
	CA	23381	11.40	355.084	56.516	3.346	62
	CB	21932	13.496	329.046	30.319	3.122	65
	CD2	7803	7.19	159.946	119.909	5.602	53
	CE1	6100	8.198	166.282	137.253	5.635	56
	CG	275	18.669	139.83	131.245	9.452	3
	N	24506	0.2	427.146	119.670	5.194	44
	ND1	833	31.026	261.013	192.582	32.464	2
	NE2	755	17.0	257.572	180.854	20.332	20
ILE	H	64209	0.008	11.871	8.261	0.691	321
	HA	42735	-9.0	173.538	4.165	0.994	7
	HB	40150	-2.442	38.700	1.784	0.395	224
	HG12	36442	-10.1	5.56	1.263	0.450	281
	HG13	35051	-10.1	9.71	1.195	0.482	259
	MD	40889	-4.15	13.891	0.672	0.329	655
	MG	38523	-3.919	6.23	0.769	0.304	607
	C	40975	0	187.551	175.818	4.397	29
	CA	56859	20.877	362.184	61.631	3.317	64
	CB	52913	-34.477	339.785	38.567	2.871	89
	CD1	36988	2.7	314.600	13.498	3.412	113
	CG1	32670	8.0	329.288	27.760	3.287	144
	CG2	34735	0.79	317.615	17.602	3.178	111
	N	61597	0.0000	531	121.445	6.001	119
LEU	H	106135	-0.3	119.596	8.217	0.733	334
	HA	70295	0.000	119.411	4.302	0.638	75
	HB2	64529	-1.800	8.02	1.607	0.359	837
	HB3	61903	-1.79	8.39	1.524	0.376	894
	HG	56934	-2.08	5.965	1.502	0.349	701
	MD1	66052	-3.42	30.176	0.747	0.330	1034
	MD2	63551	-3.42	24.504	0.727	0.356	807
	C	67942	0.071	189.78	177.001	3.590	30
	CA	93955	1.056	158.320	55.656	2.228	194
	CB	87714	7.439	93.180	42.235	2.004	578
	CD1	57794	0.683	120.700	24.667	2.026	216
	CD2	55219	0.280	116.300	24.128	2.112	176
	CG	50229	0.000	75.280	26.804	1.483	373
	N	101521	0.044	627	121.949	7.620	102
LYS	H	89722	0.002	123.7085	8.193	1.596	32
	HA	60710	-0.118	32.650	4.257	0.455	665
	HB2	54566	-1.416	10.94	1.774	0.265	889
	HB3	51444	-3.038	9.43	1.747	0.282	858
	HD2	43771	-1.6800	119.620	1.607	0.634	32
	HD3	39306	-2.02	29.047	1.596	0.270	581
	HE2	43061	-0.493	42.02	2.911	0.286	486
	HE3	37971	-0.046	7.344	2.903	0.222	798
	HG2	49304	-1.654	6.7	1.363	0.271	1006
	HG3	45529	-1.83	5.575	1.348	0.282	958
	C	55000	0.112	996.253	176.628	5.569	38
	CA	76600	1.155	359.222	56.953	3.150	74
	CB	71480	-26.686	332.988	32.781	2.861	104
	CD	40147	0.834	329.284	28.995	2.597	76
	CE	38720	-0.130	342.334	41.925	2.993	71
	CG	42642	12.109	325.487	24.959	3.077	96
	N	84130	0.041	427.245	121.030	4.870	117
	NZ	327	1.950	177.2	50.737	32.926	3
	QZ	1660	-10.9	10.506	7.338	1.034	44
MET	H	25114	-0.21	177	8.254	1.227	18
	HA	17304	-0.93	313.565	4.410	2.399	1
	HB2	15465	-27.312	33.750	2.025	0.576	86
	HB3	14578	-27.312	12.94	1.996	0.516	111
	HG2	14195	-33.86	32.7	2.379	1.440	44
	HG3	13428	-33.86	31.7	2.353	1.550	49
	ME	10995	-24.86	10.2000	1.777	1.535	87
	C	16598	2.200	183.25	176.202	3.247	5
	CA	23434	25.7283	85.327	56.142	2.282	59
	CB	21642	0.2	332.173	32.968	3.156	53
	CE	10002	0.000	317.645	17.248	4.171	55
	CG	12287	2.30	332.686	32.070	3.189	28
	N	24352	0.000	428.252	120.079	5.014	42
PHE	H	45516	-0.5	12.1759	8.333	0.728	281
	HA	30122	1.33	59.70	4.618	0.721	25
	HB2	28071	-0.463	7.979	2.992	0.381	383
	HB3	27358	-0.212	12.72	2.935	0.399	405
	HD1	23471	0.603	12.154	7.038	0.397	231
	HD2	19879	0.603	12.154	7.040	0.409	201
	HE1	20492	-2.838	14.080	7.064	0.449	171
	HE2	17549	0	12.9	7.062	0.444	162
	HZ	14317	-7.14	43.623	6.994	0.712	115
	C	28682	0.088	184.929	175.452	3.001	9
	CA	39843	4.917	363.618	58.111	3.750	38
	CB	37362	2.161	341.700	39.939	3.529	46
	CD1	14154	7.160	148.7280	131.190	5.894	70
	CD2	10030	7.160	140.309	131.336	4.497	35
	CE1	12320	0.000	149.609	130.339	5.736	61
	CE2	8719	7.472	149.609	130.546	3.965	38
	CG	437	7.229	156.3	137.324	11.447	4
	CZ	9153	7.351	165.611	129.033	4.122	33
	N	43243	0.067	422.843	120.394	5.454	64
PRO	H	5	8.160	8.995	8.598	0.354
	H2	5	8.070	9.673	8.756	0.710
	HA	34432	0.636	135.80	4.387	0.791	45
	HB2	31904	-1.501	5.63	2.069	0.371	554
	HB3	30995	-3.48	6.10	1.997	0.384	585
	HD2	29481	-6.56	7.67	3.637	0.445	440
	HD3	28471	-6.56	8.865	3.603	0.466	518
	HG2	28673	-2.35	7.395	1.919	0.341	689
	HG3	26683	-1.520	4.92	1.895	0.351	651
	C	30676	0	183.517	176.640	4.292	31
	CA	43849	0	363.087	63.333	3.556	81
	CB	40866	0	333.586	31.878	3.078	74
	CD	26065	1.155	350.648	50.343	3.158	63
	CG	25984	2.436	327.402	27.271	3.658	44
	N	2283	0.140	430	134.565	23.907	39
SER	H	77317	-15.3	116.95709	8.275	0.713	331
	HA	52449	1.277	58.739	4.476	0.472	454
	HB2	47945	0.61	9.182	3.867	0.277	757
	HB3	44554	0.61	41.7	3.844	0.341	522
	HG	969	0.13	11.36	5.422	1.186	23
	C	49890	0.000	197.1	174.586	3.265	35
	CA	70082	4.331	361.278	58.692	2.759	76
	CB	65018	-939.2800	365.087	63.726	4.837	174
	N	73603	0.000	416.964	116.291	4.194	219
THR	H	68785	0.02	21.7	8.229	0.637	585
	HA	45945	0.87	7.468	4.450	0.478	270
	HB	42098	0.087	71.587	4.168	0.646	84
	HG1	1692	-1.783	11.01	5.210	1.388	41
	MG	42012	-12.1	16.3	1.139	0.277	532
	C	43283	4.780	185.918	174.464	3.957	35
	CA	60614	0.971	92.659	62.209	2.753	113
	CB	56199	-939.2800	629.206	69.593	5.482	166
	CG2	35859	7.177	175.6	21.589	1.897	117
	N	65687	0.0	402	115.384	6.229	67
TRP	H	15026	3.421	17.315	8.267	0.780	98
	HA	10169	2.043	172.573	4.694	1.748	2
	HB2	9612	0.42	5.35	3.178	0.349	146
	HB3	9339	-0.3776	7.972	3.116	0.373	141
	HD1	8551	1.880	10.75	7.128	0.362	134
	HE1	9560	-1.279	131.711	10.098	1.421	43
	HE3	7427	1.85	12.233	7.300	0.520	132
	HH2	7366	2.84	10.900	6.955	0.451	118
	HZ2	8020	2.63	10.81	7.269	0.408	119
	HZ3	7151	0.76	8.898	6.852	0.467	94
	C	9044	2.500	184.30	175.994	5.871	12
	CA	12735	2.966	362.099	57.722	4.682	14
	CB	11847	1.6	328.795	30.067	4.654	23
	CD1	5471	30.236	183.141	126.345	4.400	23
	CD2	189	1.578	155.174	127.137	13.037	2
	CE2	257	56.4176	177.710	137.569	9.406	6
	CE3	4574	-10.872	174.807	120.191	5.450	29
	CG	267	4.174	129.700	110.247	8.997	2
	CH2	4834	-6.333	160.818	123.558	4.935	22
	CZ2	5215	7.107	159.041	114.058	4.530	30
	CZ3	4600	-8.702	161.540	121.174	4.584	22
	N	13754	6.712	423.160	121.649	5.915	14
	NE1	7832	0.53	435.960	129.280	6.187	35
TYR	H	38848	0.02	12.34	8.289	0.737	187
	HA	25903	0.442	7.160	4.610	0.562	212
	HB2	24108	-21.230	23.28	2.898	0.462	201
	HB3	23534	-21.230	23.28	2.834	0.480	248
	HD1	20765	0.190	10.5	6.920	0.371	242
	HD2	17775	0.5522	10.499	6.917	0.375	213
	HE1	19677	0.08	11.8	6.690	0.307	167
	HE2	16950	0.43	11.7	6.691	0.317	150
	HH	447	-0.788	31	9.085	2.097	5
	C	23836	2.200	184.78	175.387	4.569	22
	CA	33246	2.200	357.681	58.143	3.064	26
	CB	30836	18.38	338.686	39.293	3.077	48
	CD1	12720	19.40	141.572	132.372	5.302	66
	CD2	8749	3.492	139.644	132.384	5.237	50
	CE1	12486	40.435	182.764	117.741	4.037	110
	CE2	8613	34.1221	154.10	117.780	3.296	71
	CG	418	7.113	175.115	128.119	13.241	7
	CZ	302	6.839	165.718	155.592	13.388	3
	N	36335	0.2	818	120.712	11.572	36
VAL	H	84094	-0.41	120.980	8.269	0.782	192
	HA	55971	-2.83	54.971	4.167	0.626	128
	HB	52167	-27.480	31.75	1.980	0.445	409
	MG1	52880	-27.2	24.20	0.818	0.331	596
	MG2	51880	-27.2	56.56	0.801	0.426	273
	C	54256	1	205.699	175.643	3.329	29
	CA	74598	20.668	362.057	62.504	3.171	107
	CB	69203	15.597025	331.747	32.709	2.258	149
	CG1	46829	-7.4	321.185	21.535	2.394	91
	CG2	45162	-5.648	320.420	21.345	2.491	92
	N	81162	0.2	529	121.144	7.199	90