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	92469	-0.914	131.25	8.193	0.850	150
	HA	61077	-2.52	17.870	4.244	0.442	1178
	MB	59118	-14.040	5.48	1.352	0.279	1064
	C	59579	0.037	187.2	177.740	3.692	40
	CA	81780	17.007	354.698	53.162	2.729	89
	CB	77760	-40.993	318.868	19.046	3.011	204
	N	88557	0.049	766	123.351	5.931	104
ARG	H	61449	0.011	178	8.241	1.030	39
	HA	41864	1.212	12.57	4.289	0.468	489
	HB2	37915	-4.78	27.530	1.789	0.310	490
	HB3	35902	-1.350	27.530	1.759	0.321	522
	HD2	33298	-6.44	5.0	3.107	0.267	662
	HD3	30397	-0.690	44.092	3.093	0.370	362
	HE	11279	1.150	116.661	7.448	2.792	7
	HG2	33876	-1.45	4.2	1.558	0.284	621
	HG3	31472	-1.298	5.47	1.539	0.299	653
	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	37596	0.174	184.96	176.421	3.294	13
	CA	53163	8.369	358.124	56.776	3.286	59
	CB	49433	16.52	329.120	30.686	2.474	128
	CD	28901	18.9350	342.642	43.198	2.888	46
	CG	28652	12.17	328.290	27.255	2.989	48
	CZ	798	43.199	184.497	160.082	7.254	8
	N	57206	0.125	433.808	120.820	4.694	89
	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	50628	0.008	121.370	8.364	2.142	24
	HA	34436	0.896	7.110	4.660	0.361	476
	HB2	32261	-0.827	8.883	2.799	0.334	511
	HB3	31151	-0.948	5.806	2.743	0.358	522
	HD21	24188	0.687	111.320	7.335	0.843	52
	HD22	23912	0.905	111.320	7.146	0.858	110
	C	31746	0.114	185.3000	175.219	3.550	18
	CA	44677	2.200	354.022	53.542	3.436	29
	CB	42331	1.9620	342.798	38.721	3.507	47
	CG	2785	0.000	185.503	176.189	9.049	12
	N	47732	0.041	426.314	118.899	5.438	40
	ND2	20992	21.038	1114.29	112.884	12.449	12
ASP	H	73034	-0.35	25.876	8.298	0.588	605
	HA	48259	-3.75	8.66	4.584	0.326	700
	HB2	44950	-5.2	37.4	2.716	0.504	84
	HB3	43191	-1.46	37.2	2.666	0.512	110
	HD2	21	1.160	12.30	5.832	3.100
	C	46519	0.106	184.14	176.369	3.481	24
	CA	64302	5.630	354.531	54.687	2.679	71
	CB	60893	9.7	341.273	40.891	2.512	155
	CG	1025	2.637	188.215	177.161	18.377	14
	N	70270	0.061	428.093	120.700	4.585	102
CYS	H	25047	3.723	12.660	8.376	0.697	155
	HA	20023	-9.858	43.5	4.679	0.967	59
	HB2	19256	-39.82	363.580	3.130	6.261	42
	HB3	18776	-44.2	363.580	3.052	5.675	43
	HG	259	-1.830	10.700	2.035	1.346	4
	C	12083	1.000	187.591	174.769	3.404	10
	CA	18234	30.6688	90.374	58.006	3.501	24
	CB	17384	17.99	111.008	33.438	6.644	21
	N	20050	-147	628	120.396	17.711	82
GLN	H	52183	0.000	122.824	8.248	1.989	23
	HA	34596	0.000	7.43	4.264	0.432	567
	HB2	31413	-1.514	10.461	2.043	0.275	428
	HB3	29929	-1.4980	20.9	2.014	0.324	362
	HE21	22168	-3.41	23.893	7.218	0.504	194
	HE22	22045	0.000	113.695	7.037	0.869	31
	HG2	29293	-1.76	33.5990	2.314	0.335	343
	HG3	27219	-1.395	34.946	2.293	0.359	378
	C	33536	0.069	1755.998	176.340	9.302	13
	CA	46385	1.733	356.830	56.557	2.605	48
	CB	43455	1.843	328.286	29.191	2.490	139
	CD	2742	6.789	190.624	179.324	7.452	7
	CG	26196	2.097	333.032	33.807	2.521	42
	N	50158	0.000	418.059	119.943	4.554	86
	NE2	19993	33.9	412.160	111.871	2.973	65
GLU	H	94414	0.008	122.9	8.329	0.734	360
	HA	62889	0.433	8.02	4.241	0.412	1136
	HB2	56852	-1.470	4.82	2.018	0.221	816
	HB3	53540	-1.633	8.095	1.995	0.228	777
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	52475	-0.674	4.69	2.264	0.221	876
	HG3	48928	-0.10	4.69	2.245	0.223	791
	C	61173	0.074	184.71	176.841	4.178	40
	CA	83282	1.056	360.826	57.327	3.213	77
	CB	77848	9.08	330.834	30.011	3.085	126
	CD	1075	0.000	198.609	181.150	14.414	8
	CG	47306	6.16	337.230	36.144	2.905	66
	N	91124	0.044	422.043	120.721	4.623	122
GLY	H	91584	-15.3	121.881	8.326	0.756	840
	H1	1	8.677	8.677	8.677
	HA2	60054	-3.4	8.64	3.961	0.398	968
	HA3	57169	-3.936	43.9930	3.888	0.437	803
	C	57972	1.000	189.533	173.843	3.341	58
	CA	81234	2.200	344.994	45.373	2.173	171
	N	86614	0.2	791	109.663	6.879	215
HIS	H	25937	-0.3	13.34	8.253	0.729	272
	HA	18198	0.676	11.38	4.616	0.560	231
	HB2	16939	-2.168	45.897	3.157	1.101	130
	HB3	16464	-6.2	38.5	3.099	1.071	140
	HD1	1049	-15	86.5	9.937	8.450	23
	HD2	11908	-25.85	67.8	7.145	3.223	90
	HE1	9344	-26.6	134.811	7.835	2.508	63
	HE2	391	-15	76.4	11.080	7.872	11
	C	16078	1.000	184.204	175.141	4.594	15
	CA	23214	11.40	355.084	56.518	3.352	62
	CB	21785	13.496	329.046	30.320	3.128	65
	CD2	7773	7.19	159.946	119.908	5.612	53
	CE1	6075	8.198	166.282	137.249	5.646	56
	CG	275	18.669	139.83	131.245	9.452	3
	N	24335	0.2	427.146	119.667	5.203	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	63803	0.008	11.871	8.261	0.691	314
	HA	42610	-9.0	173.538	4.165	0.995	7
	HB	40035	-2.442	38.700	1.783	0.395	224
	HG12	36345	-10.1	5.56	1.263	0.451	277
	HG13	34969	-10.1	9.71	1.194	0.482	259
	MD	40753	-4.15	13.891	0.672	0.329	655
	MG	38421	-3.919	6.23	0.769	0.304	607
	C	40727	0	187.551	175.816	4.408	29
	CA	56503	20.877	362.184	61.629	3.321	64
	CB	52610	-34.477	339.785	38.569	2.874	89
	CD1	36840	2.7	314.600	13.500	3.417	113
	CG1	32569	8.0	329.288	27.761	3.291	144
	CG2	34634	0.79	317.615	17.602	3.183	111
	N	61194	0.0000	531	121.447	6.011	119
LEU	H	105434	-0.3	119.596	8.217	0.734	334
	HA	70060	0.000	119.411	4.302	0.638	75
	HB2	64342	-1.800	8.02	1.607	0.359	835
	HB3	61737	-1.79	8.39	1.524	0.376	893
	HG	56789	-2.08	5.965	1.502	0.349	697
	MD1	65811	-3.42	30.176	0.747	0.330	1029
	MD2	63336	-3.42	24.504	0.727	0.356	804
	C	67442	0.071	189.78	177.002	3.600	29
	CA	93304	1.056	158.320	55.656	2.229	193
	CB	87123	7.439	93.180	42.236	2.005	568
	CD1	57576	0.683	120.700	24.667	2.028	215
	CD2	55023	0.280	116.300	24.128	2.114	175
	CG	50075	0.000	75.280	26.804	1.485	369
	N	100830	0.044	627	121.948	7.639	102
LYS	H	89160	0.002	64.423	8.174	0.663	542
	HA	60553	-0.118	32.650	4.257	0.455	662
	HB2	54422	-1.416	10.94	1.774	0.266	878
	HB3	51340	-3.038	9.43	1.746	0.282	854
	HD2	43659	-1.6800	119.620	1.607	0.635	32
	HD3	39235	-2.02	29.047	1.596	0.270	581
	HE2	42957	-0.493	42.02	2.911	0.286	486
	HE3	37908	-0.046	7.344	2.903	0.222	797
	HG2	49176	-1.654	6.7	1.363	0.271	1005
	HG3	45435	-1.83	5.575	1.348	0.282	957
	C	54632	0.112	996.253	176.625	5.585	38
	CA	76100	1.155	359.222	56.952	3.156	74
	CB	71030	-26.686	332.988	32.784	2.866	103
	CD	40037	0.834	329.284	28.995	2.600	75
	CE	38616	-0.130	342.334	41.925	2.997	71
	CG	42525	12.109	325.487	24.958	3.081	96
	N	83588	0.041	427.245	121.050	4.635	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	24922	-0.21	177	8.255	1.231	18
	HA	17250	-0.93	313.565	4.409	2.403	1
	HB2	15419	-27.312	33.750	2.024	0.576	86
	HB3	14540	-27.312	12.94	1.996	0.517	111
	HG2	14153	-33.86	32.7	2.379	1.442	44
	HG3	13391	-33.86	31.7	2.353	1.552	49
	ME	10964	-24.86	10.2000	1.776	1.537	87
	C	16484	2.200	183.25	176.201	3.255	5
	CA	23259	25.7283	85.327	56.139	2.283	59
	CB	21496	0.2	332.173	32.969	3.161	53
	CE	9970	0.000	317.645	17.249	4.177	55
	CG	12250	2.30	332.686	32.069	3.194	28
	N	24157	0.000	428.252	120.079	5.026	42
PHE	H	45238	-0.5	12.1759	8.334	0.729	279
	HA	30028	1.33	59.70	4.618	0.721	25
	HB2	27992	-0.463	7.979	2.992	0.381	383
	HB3	27286	-0.212	12.72	2.935	0.399	405
	HD1	23415	0.603	12.154	7.038	0.397	231
	HD2	19847	0.603	12.154	7.039	0.409	201
	HE1	20440	-2.838	14.080	7.063	0.449	171
	HE2	17523	0	12.9	7.062	0.444	162
	HZ	14277	-7.14	43.623	6.994	0.712	115
	C	28487	0.088	184.929	175.451	3.008	9
	CA	39581	4.917	363.618	58.106	3.757	38
	CB	37144	2.161	341.700	39.941	3.536	46
	CD1	14107	7.160	148.7280	131.188	5.903	70
	CD2	10005	7.160	140.309	131.335	4.502	35
	CE1	12277	0.000	149.609	130.336	5.745	61
	CE2	8701	7.472	149.609	130.545	3.969	38
	CG	437	7.229	156.3	137.324	11.447	4
	CZ	9116	7.351	165.611	129.031	4.130	33
	N	42960	0.067	422.843	120.396	5.463	64
PRO	H	5	8.160	8.995	8.598	0.354
	H2	5	8.070	9.673	8.756	0.710
	HA	34303	0.636	135.80	4.387	0.792	45
	HB2	31793	-1.501	5.63	2.069	0.371	554
	HB3	30889	-3.48	6.10	1.997	0.383	580
	HD2	29379	-6.56	7.67	3.636	0.446	436
	HD3	28372	-6.56	8.865	3.602	0.467	514
	HG2	28578	-2.35	7.395	1.918	0.341	689
	HG3	26609	-1.520	4.92	1.894	0.351	649
	C	30510	0	183.517	176.641	4.302	31
	CA	43616	0	363.087	63.333	3.563	81
	CB	40645	0	333.586	31.879	3.085	74
	CD	25964	1.155	350.648	50.342	3.163	63
	CG	25882	2.436	327.402	27.271	3.665	44
	N	2260	0.140	430	134.540	24.027	39
SER	H	76875	-15.3	116.95709	8.275	0.714	329
	HA	52310	1.277	58.739	4.476	0.472	452
	HB2	47825	0.61	9.182	3.867	0.277	757
	HB3	44453	0.61	41.7	3.844	0.341	522
	HG	969	0.13	11.36	5.422	1.186	23
	C	49587	0.000	197.1	174.585	3.271	35
	CA	69671	4.331	361.278	58.690	2.762	76
	CB	64658	-939.2800	365.087	63.726	4.850	174
	N	73167	0.000	416.964	116.292	4.198	217
THR	H	68341	0.02	21.7	8.229	0.637	582
	HA	45820	0.87	7.468	4.450	0.478	270
	HB	41997	0.087	71.587	4.168	0.647	84
	HG1	1690	-1.783	11.01	5.209	1.388	41
	MG	41907	-12.1	16.3	1.139	0.277	531
	C	43022	4.780	185.918	174.461	3.966	35
	CA	60233	0.971	92.659	62.208	2.753	113
	CB	55870	-939.2800	629.206	69.591	5.497	165
	CG2	35774	7.177	175.6	21.589	1.899	116
	N	65244	0.0	402	115.386	6.240	67
TRP	H	14962	3.421	17.315	8.267	0.780	98
	HA	10141	2.043	172.573	4.694	1.750	2
	HB2	9589	0.42	5.35	3.178	0.349	146
	HB3	9317	-0.3776	7.972	3.115	0.373	140
	HD1	8529	1.880	10.75	7.128	0.362	134
	HE1	9536	-1.279	131.711	10.098	1.423	43
	HE3	7407	1.85	12.233	7.300	0.520	132
	HH2	7347	2.84	10.900	6.955	0.451	118
	HZ2	7999	2.63	10.81	7.269	0.408	119
	HZ3	7132	0.76	8.898	6.852	0.468	94
	C	9012	2.500	184.30	175.992	5.880	12
	CA	12678	2.966	362.099	57.719	4.691	14
	CB	11798	1.6	328.795	30.069	4.663	23
	CD1	5455	30.236	183.141	126.341	4.405	23
	CD2	189	1.578	155.174	127.137	13.037	2
	CE2	257	56.4176	177.710	137.569	9.406	6
	CE3	4559	-10.872	174.807	120.189	5.458	29
	CG	267	4.174	129.700	110.247	8.997	2
	CH2	4817	-6.333	160.818	123.555	4.943	22
	CZ2	5198	7.107	159.041	114.056	4.537	30
	CZ3	4586	-8.702	161.540	121.171	4.590	22
	N	13699	6.712	423.160	121.648	5.923	14
	NE1	7818	0.53	435.960	129.280	6.192	35
TYR	H	38630	0.02	12.34	8.290	0.738	185
	HA	25819	0.442	7.160	4.610	0.562	212
	HB2	24041	-21.230	23.28	2.898	0.463	199
	HB3	23475	-21.230	23.28	2.834	0.481	247
	HD1	20714	0.190	10.5	6.920	0.371	242
	HD2	17733	0.5522	10.499	6.917	0.375	213
	HE1	19626	0.08	11.8	6.690	0.307	167
	HE2	16908	0.43	11.7	6.690	0.317	149
	HH	446	-0.788	31	9.095	2.089	5
	C	23701	2.200	184.78	175.383	4.580	22
	CA	33039	2.200	357.681	58.140	3.066	26
	CB	30649	18.38	338.686	39.295	3.084	48
	CD1	12685	19.40	141.572	132.370	5.309	66
	CD2	8725	3.492	139.644	132.383	5.244	50
	CE1	12451	40.435	182.764	117.739	4.042	110
	CE2	8589	34.1221	154.10	117.779	3.300	71
	CG	418	7.113	175.115	128.119	13.241	7
	CZ	302	6.839	165.718	155.592	13.388	3
	N	36130	0.2	818	120.719	11.601	36
VAL	H	83532	-0.41	120.980	8.269	0.783	192
	HA	55787	-2.83	54.971	4.167	0.626	128
	HB	52027	-27.480	31.75	1.979	0.446	408
	MG1	52691	-27.2	24.20	0.818	0.331	592
	MG2	51709	-27.2	56.56	0.801	0.427	268
	C	53858	1	205.699	175.642	3.338	28
	CA	74092	20.668	362.057	62.502	3.174	107
	CB	68751	15.597025	331.747	32.709	2.261	149
	CG1	46656	-7.4	321.185	21.536	2.397	91
	CG2	45000	-5.648	320.420	21.344	2.495	92
	N	80598	0.2	529	121.145	7.215	89