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	Distribution Histogram
ALA	H	99070	-0.914	131.25	8.192	0.833	185
	HA	63919	-2.52	17.870	4.244	0.440	1251
	MB	61927	-14.040	5.48	1.353	0.277	1130
	C	64099	0.037	187.2	177.751	3.604	44
	CA	87479	17.007	354.698	53.162	2.683	91
	CB	83216	-40.993	318.868	19.036	2.944	211
	N	94993	0.049	766	123.349	5.790	108
ARG	H	65451	0.011	178	8.240	1.008	44
	HA	43646	1.212	12.57	4.287	0.466	524
	HB2	39479	-4.78	27.530	1.790	0.307	517
	HB3	37297	-1.350	27.530	1.760	0.319	537
	HD2	34627	-6.44	5.0	3.107	0.265	688
	HD3	31551	-0.690	44.092	3.093	0.366	377
	HE	11680	1.150	116.661	7.445	2.746	7
	HG2	35212	-1.45	4.2	1.558	0.283	647
	HG3	32688	-1.298	5.47	1.540	0.297	683
	HH11	986	4.41	11.7	6.935	0.572	22
	HH12	752	4.41	10.727	6.881	0.539	18
	HH21	846	1.233	11.352	6.829	0.649	19
	HH22	696	1.233	60.1410	6.908	2.120	1
	C	40179	0.174	184.96	176.432	3.223	13
	CA	56719	8.369	358.124	56.776	3.229	63
	CB	52677	16.52	329.120	30.675	2.432	144
	CD	30202	18.9350	342.642	43.198	2.831	47
	CG	29943	1.0	328.290	27.251	2.939	54
	CZ	841	43.199	184.497	160.064	7.095	9
	N	61138	0.125	433.808	120.824	4.629	96
	NE	7279	-23.150	149.1080	89.964	13.554	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	53892	0.008	121.370	8.360	2.081	24
	HA	35874	0.896	7.110	4.660	0.361	495
	HB2	33545	-0.827	8.883	2.799	0.334	532
	HB3	32389	-0.948	5.806	2.744	0.356	543
	HD21	25028	0.687	111.320	7.336	0.833	52
	HD22	24727	0.905	111.320	7.145	0.848	113
	C	33876	0.114	187.551	175.228	3.465	20
	CA	47507	2.200	354.022	53.539	3.363	34
	CB	44981	1.9620	342.798	38.716	3.425	49
	CG	2900	0.000	185.503	176.205	8.873	12
	N	50921	0.041	426.314	118.913	5.349	40
	ND2	21706	21.038	1114.29	112.879	12.248	12
ASP	H	77695	-0.35	25.876	8.297	0.584	650
	HA	50273	-3.75	8.66	4.583	0.324	735
	HB2	46746	-5.2	37.4	2.716	0.497	97
	HB3	44878	-1.46	37.2	2.666	0.504	115
	HD2	21	1.160	12.30	5.832	3.100
	C	49620	0.106	184.14	176.370	3.407	26
	CA	68394	5.630	354.531	54.681	2.643	73
	CB	64726	9.7	341.273	40.883	2.464	162
	CG	1101	2.637	188.215	177.279	17.746	14
	N	74861	0.061	428.093	120.708	4.549	110
CYS	H	26330	3.723	12.660	8.374	0.695	160
	HA	20765	-9.858	43.5	4.677	0.953	66
	HB2	19952	-39.82	363.580	3.125	6.152	43
	HB3	19448	-44.2	363.580	3.047	5.577	43
	HG	280	-1.830	10.700	2.074	1.415	6
	C	12720	1.000	187.591	174.761	3.350	10
	CA	19248	30.6688	90.374	58.003	3.498	24
	CB	18326	17.99	111.008	33.456	6.646	21
	N	21225	-147	628	120.365	17.243	82
GLN	H	56354	0.000	122.824	8.244	1.919	23
	HA	36181	0.000	7.43	4.263	0.429	602
	HB2	32764	-1.514	10.461	2.043	0.273	446
	HB3	31126	-1.4980	20.9	2.014	0.322	372
	HE21	23046	-3.41	23.893	7.222	0.500	199
	HE22	22771	0.000	113.695	7.036	0.858	34
	HG2	30503	-1.76	33.5990	2.314	0.332	359
	HG3	28270	-1.395	34.946	2.294	0.356	399
	C	36419	0.069	1755.998	176.349	8.940	13
	CA	50037	1.733	356.830	56.562	2.564	52
	CB	46635	1.843	328.286	29.178	2.438	151
	CD	2867	6.789	190.624	179.327	7.294	7
	CG	27446	2.097	333.032	33.808	2.470	43
	N	54263	0.000	418.059	119.957	4.466	104
	NE2	20795	33.9	412.160	111.874	2.929	69
GLU	H	100469	0.008	122.9	8.328	0.724	407
	HA	65544	0.433	8.02	4.240	0.410	1193
	HB2	59129	-1.470	4.82	2.018	0.221	839
	HB3	55617	-1.633	8.095	1.995	0.227	802
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	54461	-0.674	4.69	2.264	0.220	905
	HG3	50743	-0.10	4.69	2.246	0.222	820
	C	65202	0.074	184.71	176.850	4.073	40
	CA	88572	1.056	360.826	57.328	3.154	80
	CB	82733	9.08	330.834	30.000	3.017	133
	CD	1171	0.000	198.609	181.186	13.837	8
	CG	49284	6.16	337.230	36.144	2.856	69
	N	97116	0.044	422.043	120.733	4.549	133
GLY	H	98056	-15.3	121.881	8.327	0.747	959
	H1	2	8.373	8.677	8.525	0.215
	HA2	62728	-3.4	8.64	3.960	0.396	1016
	HA3	59639	-3.936	43.9930	3.890	0.433	844
	C	62201	1.000	189.533	173.848	3.257	68
	CA	86973	2.200	344.994	45.371	2.134	183
	N	92983	0.2	791	109.648	6.697	242
HIS	H	27663	-0.3	13.34	8.254	0.726	285
	HA	18852	0.676	11.38	4.614	0.555	237
	HB2	17515	-2.168	45.897	3.155	1.084	132
	HB3	16998	-6.2	38.5	3.098	1.055	140
	HD1	1069	-15	86.5	9.892	8.382	24
	HD2	12248	-25.85	67.8	7.141	3.179	90
	HE1	9627	-26.6	134.811	7.839	2.473	68
	HE2	397	-15	76.4	11.066	7.817	11
	C	17068	1.000	184.204	175.147	4.482	15
	CA	24532	11.40	355.084	56.509	3.301	62
	CB	22995	13.496	329.046	30.313	3.081	69
	CD2	8048	7.19	159.946	119.906	5.532	57
	CE1	6305	8.198	166.282	137.270	5.550	58
	CG	302	18.669	139.83	131.435	9.089	3
	N	26040	0.2	427.146	119.688	5.138	44
	ND1	854	31.026	261.013	192.397	32.713	2
	NE2	777	17.0	257.572	180.977	20.241	20
ILE	H	67766	0.008	11.871	8.258	0.690	336
	HA	44218	-9.0	173.538	4.163	0.982	7
	HB	41498	-2.442	38.700	1.784	0.392	236
	HG12	37580	-10.1	5.56	1.263	0.449	294
	HG13	36152	-10.1	9.71	1.196	0.480	269
	MD	42553	-4.15	13.891	0.673	0.328	682
	MG	39790	-3.919	6.23	0.769	0.303	630
	C	43348	0	187.551	175.835	4.297	29
	CA	59931	20.877	362.184	61.644	3.287	65
	CB	55694	-34.477	339.785	38.559	2.829	91
	CD1	38682	1.358	314.600	13.495	3.350	116
	CG1	33907	8.0	329.288	27.768	3.242	155
	CG2	36084	0.79	317.615	17.603	3.177	113
	N	65161	0.0000	531	121.436	5.924	129
LEU	H	112580	-0.3	119.596	8.217	0.728	374
	HA	73009	0.000	119.411	4.301	0.631	81
	HB2	66935	-1.800	8.02	1.608	0.358	869
	HB3	64170	-1.79	1579.0	1.549	6.238	1
	HG	58829	-2.08	5.965	1.503	0.348	728
	MD1	68726	-3.42	30.176	0.747	0.328	1080
	MD2	66183	-3.42	24.59	0.729	0.385	640
	C	72117	0.071	189.78	177.016	3.515	30
	CA	99420	1.056	158.320	55.660	2.220	205
	CB	92622	7.439	93.180	42.224	1.991	625
	CD1	60329	0.438	120.700	24.660	2.015	226
	CD2	57689	0.280	116.300	24.131	2.093	181
	CG	52164	0.000	75.280	26.803	1.470	397
	N	107854	0.044	627	121.934	7.451	106
LYS	H	95004	0.002	123.7085	8.192	1.556	33
	HA	63184	-0.118	32.650	4.256	0.452	697
	HB2	56739	-1.416	10.94	1.774	0.264	931
	HB3	53478	-3.038	9.43	1.747	0.280	884
	HD2	45422	-1.6800	119.620	1.608	0.624	35
	HD3	40876	-2.02	29.047	1.596	0.272	586
	HE2	44766	-0.493	42.02	2.911	0.282	518
	HE3	39501	-0.046	7.344	2.904	0.220	834
	HG2	51179	-1.654	8.362	1.364	0.272	1025
	HG3	47315	-1.83	5.575	1.349	0.280	990
	C	58284	0.112	996.253	176.636	5.429	38
	CA	81020	1.155	359.222	56.958	3.102	77
	CB	75592	-26.686	332.988	32.773	2.812	111
	CD	41787	0.834	329.284	28.996	2.554	80
	CE	40284	-0.130	342.334	41.926	2.938	72
	CG	44424	12.109	325.487	24.956	3.022	98
	N	89213	0.041	427.245	121.040	4.805	126
	NZ	336	1.950	177.2	50.314	32.587	3
	QZ	1748	-10.9	10.506	7.352	1.012	44
MET	H	26703	-0.21	177	8.254	1.196	18
	HA	18059	-0.93	313.565	4.409	2.350	1
	HB2	16129	-27.312	33.750	2.025	0.567	92
	HB3	15169	-27.312	12.94	1.996	0.510	117
	HG2	14801	-33.86	32.7	2.380	1.412	49
	HG3	13993	-33.86	31.7	2.355	1.520	49
	ME	11572	-24.86	10.2000	1.782	1.497	89
	C	17757	2.200	183.25	176.216	3.181	6
	CA	24951	25.7283	85.327	56.145	2.275	59
	CB	23016	0.2	332.173	32.958	3.099	56
	CE	10563	0.000	317.645	17.245	4.064	55
	CG	12858	2.30	332.686	32.070	3.132	32
	N	25940	0.000	428.252	120.082	4.920	43
PHE	H	48106	-0.5	12.1759	8.333	0.729	295
	HA	31295	1.33	59.70	4.615	0.715	28
	HB2	29100	-0.463	7.979	2.993	0.379	396
	HB3	28367	-0.212	12.72	2.936	0.398	420
	HD1	24229	0.603	12.154	7.039	0.394	242
	HD2	20557	0.603	12.154	7.040	0.406	205
	HE1	21131	-2.838	14.080	7.065	0.445	180
	HE2	18140	0	12.9	7.063	0.440	166
	HZ	14735	-7.14	43.623	6.994	0.705	121
	C	30333	0.088	184.929	175.450	2.954	11
	CA	42079	4.917	363.618	58.113	3.698	40
	CB	39446	2.161	341.700	39.924	3.466	50
	CD1	14700	7.160	148.7280	131.199	5.788	71
	CD2	10347	7.160	140.309	131.337	4.433	35
	CE1	12772	0.000	149.609	130.340	5.744	62
	CE2	8993	7.307	149.609	130.536	4.125	33
	CG	490	7.229	156.3	137.416	10.840	4
	CZ	9489	7.351	165.611	129.031	4.127	34
	N	45790	0.067	422.843	120.388	5.384	65
PRO	H	9	7.34506929	8.995	8.273	0.517
	H2	5	8.070	9.673	8.756	0.710
	HA	35737	0.636	135.80	4.386	0.778	48
	HB2	33034	-1.501	5.63	2.069	0.369	583
	HB3	32049	-3.48	6.10	1.997	0.382	599
	HD2	30424	-6.56	7.67	3.637	0.443	455
	HD3	29359	-6.56	8.353	3.603	0.462	541
	HG2	29584	-2.35	7.395	1.919	0.340	709
	HG3	27526	-1.520	4.92	1.895	0.350	665
	C	32751	0	183.517	176.655	4.167	31
	CA	46471	0	363.087	63.332	3.469	86
	CB	43232	0	333.586	31.874	3.012	77
	CD	27027	1.155	350.648	50.343	3.106	63
	CG	26972	2.436	327.402	27.270	3.596	44
	N	2585	0.140	430	134.669	22.571	39
SER	H	82149	-15.3	116.95709	8.274	0.704	364
	HA	54481	1.277	58.739	4.475	0.468	487
	HB2	49737	0.61	9.182	3.868	0.276	780
	HB3	46202	0.61	41.7	3.845	0.338	546
	HG	1012	0.13	11.36	5.413	1.189	24
	C	53190	0.000	197.1	174.592	3.187	37
	CA	74395	4.331	361.278	58.692	2.722	80
	CB	68943	-939.2800	365.087	63.727	4.708	175
	N	78434	0.000	416.964	116.291	4.141	244
THR	H	72984	0.02	21.7	8.225	0.634	625
	HA	47647	0.87	7.468	4.448	0.476	290
	HB	43513	0.087	71.587	4.169	0.638	89
	HG1	1761	-1.783	11.01	5.180	1.424	31
	MG	43510	-12.1	16.3	1.139	0.274	559
	C	46104	4.780	185.918	174.468	3.856	35
	CA	64282	0.971	92.659	62.210	2.740	119
	CB	59553	-939.2800	629.206	69.597	5.344	170
	CG2	37345	7.177	175.6	21.593	1.869	124
	N	69847	0.0	402	115.364	6.141	70
TRP	H	15842	3.421	17.315	8.266	0.781	109
	HA	10515	2.043	172.573	4.690	1.722	2
	HB2	9912	0.42	5.35	3.177	0.347	150
	HB3	9629	-0.3776	7.972	3.116	0.372	146
	HD1	8779	1.880	10.75	7.129	0.360	138
	HE1	9890	-1.279	131.711	10.098	1.400	47
	HE3	7608	1.85	12.233	7.302	0.516	137
	HH2	7552	2.84	10.900	6.957	0.448	121
	HZ2	8213	2.63	10.81	7.270	0.405	122
	HZ3	7328	0.76	8.898	6.854	0.464	95
	C	9579	2.500	184.30	176.020	5.726	12
	CA	13447	2.966	362.099	57.737	4.591	14
	CB	12435	1.6	328.795	30.046	4.561	23
	CD1	5645	30.236	183.141	126.347	4.343	23
	CD2	195	1.578	155.174	127.167	12.841	2
	CE2	268	56.4176	177.710	137.504	9.276	6
	CE3	4719	-10.872	174.807	120.211	5.376	29
	CG	279	4.174	129.700	110.283	8.807	3
	CH2	4985	-6.333	160.818	123.564	4.865	22
	CZ2	5377	7.107	159.041	114.074	4.471	32
	CZ3	4739	-8.702	161.540	121.183	4.520	22
	N	14555	6.712	423.160	121.631	5.818	14
	NE1	8132	0.53	435.960	129.275	6.083	35
TYR	H	41214	0.02	12.34	8.286	0.735	201
	HA	26805	0.442	7.160	4.608	0.560	220
	HB2	24891	-21.230	23.28	2.898	0.459	213
	HB3	24298	-21.230	23.28	2.835	0.477	256
	HD1	21375	0.190	10.5	6.921	0.368	252
	HD2	18315	0.5522	10.499	6.918	0.372	217
	HE1	20261	0.08	11.8	6.691	0.304	181
	HE2	17473	0.43	11.7	6.691	0.314	154
	HH	473	-0.788	31	9.062	2.078	5
	C	25402	2.200	184.78	175.402	4.453	22
	CA	35210	2.200	357.681	58.144	3.030	26
	CB	32636	18.38	338.686	39.280	3.029	54
	CD1	13181	19.40	141.572	132.377	5.253	69
	CD2	9032	3.492	139.644	132.386	5.217	51
	CE1	12945	40.435	182.764	117.743	3.970	112
	CE2	8915	34.1221	154.10	117.783	3.248	73
	CG	465	7.113	175.115	128.234	12.588	7
	CZ	337	6.839	165.718	155.828	12.701	3
	N	38664	0.2	818	120.691	11.265	37
VAL	H	88631	-0.41	120.980	8.267	0.775	214
	HA	57976	-2.83	54.971	4.166	0.623	132
	HB	53899	-27.480	31.75	1.981	0.441	420
	MG1	54864	-27.2	24.20	0.819	0.329	625
	MG2	53956	-27.2	56.56	0.802	0.421	294
	C	57510	1	205.699	175.654	3.265	33
	CA	78762	-17.046	362.057	62.510	3.165	110
	CB	72974	15.597025	331.747	32.700	2.233	156
	CG1	48877	-7.4	321.185	21.536	2.360	93
	CG2	47262	-5.648	320.420	21.347	2.456	95
	N	85737	0.2	529	121.133	7.074	93