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	95427	-0.914	131.25	8.193	0.843	166
	HA	62383	-2.52	17.870	4.244	0.441	1218
	MB	60448	-14.040	5.48	1.353	0.278	1089
	C	61649	0.037	187.2	177.748	3.654	41
	CA	84436	17.007	354.698	53.165	2.706	89
	CB	80356	-40.993	318.868	19.043	2.979	205
	N	91446	0.049	766	123.349	5.866	105
ARG	H	63341	0.011	178	8.240	1.019	43
	HA	42704	1.212	12.57	4.288	0.467	510
	HB2	38641	-4.78	27.530	1.790	0.309	502
	HB3	36560	-1.350	27.530	1.759	0.320	529
	HD2	33959	-6.44	5.0	3.107	0.266	673
	HD3	30973	-0.690	44.092	3.093	0.368	368
	HE	11501	1.150	116.661	7.446	2.767	7
	HG2	34523	-1.45	4.2	1.558	0.283	637
	HG3	32069	-1.298	5.47	1.540	0.298	671
	HH11	981	4.41	11.7	6.937	0.574	22
	HH12	746	4.41	10.727	6.882	0.541	18
	HH21	840	1.233	11.352	6.826	0.650	19
	HH22	691	1.233	60.1410	6.906	2.127	1
	C	38722	0.174	184.96	176.433	3.262	13
	CA	54847	8.369	358.124	56.783	3.258	62
	CB	50971	16.52	329.120	30.680	2.453	138
	CD	29557	18.9350	342.642	43.198	2.858	46
	CG	29295	1.0	328.290	27.252	2.964	51
	CZ	815	43.199	184.497	160.066	7.180	8
	N	59046	0.125	433.808	120.818	4.663	93
	NE	7182	-23.150	149.1080	89.982	13.591	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	52140	0.008	121.370	8.361	2.113	24
	HA	35088	0.896	7.110	4.661	0.361	481
	HB2	32829	-0.827	8.883	2.800	0.333	529
	HB3	31693	-0.948	5.806	2.744	0.356	527
	HD21	24580	0.687	111.320	7.337	0.838	52
	HD22	24301	0.905	111.320	7.145	0.853	110
	C	32690	0.114	185.3000	175.228	3.511	18
	CA	46006	2.200	354.022	53.545	3.401	31
	CB	43563	1.9620	342.798	38.724	3.467	48
	CG	2821	0.000	185.503	176.197	8.993	12
	N	49207	0.041	426.314	118.903	5.398	40
	ND2	21345	21.038	1114.29	112.884	12.348	12
ASP	H	75375	-0.35	25.876	8.298	0.585	637
	HA	49242	-3.75	8.66	4.583	0.325	723
	HB2	45813	-5.2	37.4	2.716	0.500	90
	HB3	43991	-1.46	37.2	2.666	0.508	113
	HD2	21	1.160	12.30	5.832	3.100
	C	47969	0.106	184.14	176.376	3.440	24
	CA	66334	5.630	354.531	54.689	2.661	73
	CB	62759	9.7	341.273	40.887	2.486	159
	CG	1047	2.637	188.215	177.216	18.187	14
	N	72587	0.061	428.093	120.700	4.576	104
CYS	H	25653	3.723	12.660	8.374	0.696	156
	HA	20401	-9.858	43.5	4.678	0.960	62
	HB2	19615	-39.82	363.580	3.128	6.204	43
	HB3	19126	-44.2	363.580	3.050	5.623	43
	HG	265	-1.830	10.700	2.092	1.437	6
	C	12312	1.000	187.591	174.770	3.384	10
	CA	18692	30.6688	90.374	58.005	3.495	24
	CB	17822	17.99	111.008	33.454	6.641	21
	N	20582	-147	628	120.377	17.496	82
GLN	H	53955	0.000	122.824	8.246	1.959	23
	HA	35347	0.000	7.43	4.263	0.430	592
	HB2	32035	-1.514	10.461	2.043	0.274	437
	HB3	30467	-1.4980	20.9	2.014	0.323	363
	HE21	22532	-3.41	23.893	7.218	0.503	197
	HE22	22410	0.000	113.695	7.036	0.863	32
	HG2	29878	-1.76	33.5990	2.314	0.333	350
	HG3	27731	-1.395	34.946	2.294	0.357	392
	C	34728	0.069	1755.998	176.346	9.147	13
	CA	48001	1.733	356.830	56.564	2.587	51
	CB	44954	1.843	328.286	29.185	2.464	145
	CD	2781	6.789	190.624	179.328	7.401	7
	CG	26836	2.097	333.032	33.808	2.494	43
	N	51914	0.000	418.059	119.948	4.520	95
	NE2	20333	33.9	412.160	111.870	2.958	66
GLU	H	97212	0.008	122.9	8.328	0.730	379
	HA	64096	0.433	8.02	4.241	0.411	1156
	HB2	57862	-1.470	4.82	2.018	0.221	824
	HB3	54468	-1.633	8.095	1.995	0.227	791
	HE2	29	0.801	11.96	5.008	2.078	1
	HG2	53367	-0.674	4.69	2.264	0.220	895
	HG3	49739	-0.10	4.69	2.245	0.223	799
	C	62953	0.074	184.71	176.851	4.130	40
	CA	85751	1.056	360.826	57.331	3.184	79
	CB	80100	9.08	330.834	30.006	3.053	131
	CD	1099	0.000	198.609	181.189	14.258	8
	CG	48254	6.16	337.230	36.143	2.881	67
	N	93927	0.044	422.043	120.722	4.589	127
GLY	H	94560	-15.3	121.881	8.326	0.752	889
	H1	2	8.373	8.677	8.525	0.215
	HA2	61227	-3.4	8.64	3.960	0.398	985
	HA3	58263	-3.936	43.9930	3.889	0.436	823
	C	59794	1.000	189.533	173.847	3.306	61
	CA	83893	2.200	344.994	45.373	2.159	182
	N	89513	0.2	791	109.657	6.795	232
HIS	H	26710	-0.3	13.34	8.253	0.727	281
	HA	18492	0.676	11.38	4.615	0.558	232
	HB2	17192	-2.168	45.897	3.156	1.093	130
	HB3	16702	-6.2	38.5	3.098	1.064	140
	HD1	1061	-15	86.5	9.904	8.411	24
	HD2	12093	-25.85	67.8	7.143	3.199	90
	HE1	9502	-26.6	134.811	7.837	2.488	64
	HE2	392	-15	76.4	11.071	7.864	11
	C	16541	1.000	184.204	175.144	4.541	15
	CA	23843	11.40	355.084	56.515	3.327	62
	CB	22367	13.496	329.046	30.319	3.105	65
	CD2	7921	7.19	159.946	119.906	5.567	54
	CE1	6201	8.198	166.282	137.261	5.593	57
	CG	283	18.669	139.83	131.308	9.331	3
	N	25096	0.2	427.146	119.678	5.169	44
	ND1	843	31.026	261.013	192.286	32.745	2
	NE2	762	17.0	257.572	180.931	20.314	20
ILE	H	65696	0.008	11.871	8.260	0.691	324
	HA	43353	-9.0	173.538	4.164	0.989	7
	HB	40702	-2.442	38.700	1.784	0.394	229
	HG12	36915	-10.1	5.56	1.263	0.450	286
	HG13	35513	-10.1	9.71	1.195	0.481	265
	MD	41605	-4.15	13.891	0.672	0.329	667
	MG	39058	-3.919	6.23	0.769	0.303	622
	C	41931	0	187.551	175.826	4.355	29
	CA	58138	20.877	362.184	61.635	3.303	64
	CB	54056	-34.477	339.785	38.566	2.853	90
	CD1	37716	2.7	314.600	13.496	3.385	114
	CG1	33208	8.0	329.288	27.761	3.267	148
	CG2	35309	0.79	317.615	17.601	3.156	118
	N	63080	0.0000	531	121.442	5.976	126
LEU	H	108676	-0.3	119.596	8.217	0.731	341
	HA	71423	0.000	119.411	4.301	0.635	77
	HB2	65505	-1.800	8.02	1.608	0.359	849
	HB3	62853	-1.79	1579.0	1.549	6.303	1
	HG	57734	-2.08	5.965	1.503	0.348	713
	MD1	67159	-3.42	30.176	0.747	0.329	1051
	MD2	64670	-3.42	24.504	0.727	0.355	828
	C	69532	0.071	189.78	177.009	3.560	30
	CA	96122	1.056	158.320	55.658	2.223	198
	CB	89692	7.439	93.180	42.232	2.000	596
	CD1	58881	0.683	120.700	24.665	2.019	221
	CD2	56294	0.280	116.300	24.128	2.104	177
	CG	51124	0.000	75.280	26.802	1.477	383
	N	104024	0.044	627	121.943	7.551	104
LYS	H	91802	0.002	123.7085	8.192	1.580	33
	HA	61787	-0.118	32.650	4.257	0.453	682
	HB2	55484	-1.416	10.94	1.774	0.265	898
	HB3	52354	-3.038	9.43	1.747	0.281	870
	HD2	44511	-1.6800	119.620	1.607	0.629	33
	HD3	40053	-2.02	29.047	1.596	0.269	591
	HE2	43817	-0.493	42.02	2.911	0.284	498
	HE3	38665	-0.046	7.344	2.904	0.221	812
	HG2	50113	-1.654	6.7	1.363	0.271	1014
	HG3	46352	-1.83	5.575	1.349	0.281	972
	C	56332	0.112	996.253	176.636	5.510	38
	CA	78436	1.155	359.222	56.959	3.129	75
	CB	73185	-26.686	332.988	32.779	2.838	106
	CD	40959	0.834	329.284	28.995	2.575	77
	CE	39472	-0.130	342.334	41.925	2.966	71
	CG	43501	12.109	325.487	24.958	3.050	96
	N	86172	0.041	427.245	121.030	4.842	125
	NZ	331	1.950	177.2	50.538	32.775	3
	QZ	1675	-10.9	10.506	7.339	1.030	44
MET	H	25753	-0.21	177	8.254	1.215	18
	HA	17623	-0.93	313.565	4.409	2.378	1
	HB2	15747	-27.312	33.750	2.025	0.572	90
	HB3	14828	-27.312	12.94	1.996	0.514	113
	HG2	14466	-33.86	32.7	2.379	1.427	46
	HG3	13680	-33.86	31.7	2.353	1.537	49
	ME	11261	-24.86	10.2000	1.779	1.517	88
	C	17065	2.200	183.25	176.214	3.219	5
	CA	24061	25.7283	85.327	56.148	2.280	59
	CB	22217	0.2	332.173	32.962	3.131	55
	CE	10262	0.000	317.645	17.248	4.121	55
	CG	12548	2.30	332.686	32.071	3.166	32
	N	24986	0.000	428.252	120.076	4.975	42
PHE	H	46530	-0.5	12.1759	8.333	0.728	286
	HA	30569	1.33	59.70	4.617	0.719	27
	HB2	28420	-0.463	7.979	2.993	0.380	388
	HB3	27715	-0.212	12.72	2.935	0.398	413
	HD1	23763	0.603	12.154	7.039	0.395	239
	HD2	20141	0.603	12.154	7.040	0.408	202
	HE1	20743	-2.838	14.080	7.064	0.447	177
	HE2	17786	0	12.9	7.063	0.442	163
	HZ	14482	-7.14	43.623	6.994	0.708	118
	C	29316	0.088	184.929	175.454	2.983	10
	CA	40722	4.917	363.618	58.113	3.729	40
	CB	38175	2.161	341.700	39.936	3.504	47
	CD1	14379	7.160	148.7280	131.194	5.849	70
	CD2	10146	7.160	140.309	131.336	4.473	35
	CE1	12513	0.000	149.609	130.346	5.693	61
	CE2	8833	7.472	149.609	130.550	3.942	38
	CG	449	7.229	156.3	137.365	11.297	4
	CZ	9291	7.351	165.611	129.036	4.095	33
	N	44245	0.067	422.843	120.398	5.429	65
PRO	H	6	7.808	8.995	8.466	0.452
	H2	5	8.070	9.673	8.756	0.710
	HA	34920	0.636	135.80	4.387	0.786	47
	HB2	32327	-1.501	5.63	2.069	0.370	566
	HB3	31392	-3.48	6.10	1.997	0.383	590
	HD2	29830	-6.56	7.67	3.637	0.444	442
	HD3	28794	-6.56	8.865	3.603	0.465	523
	HG2	29030	-2.35	7.395	1.919	0.340	699
	HG3	27000	-1.520	4.92	1.895	0.350	659
	C	31509	0	183.517	176.647	4.240	31
	CA	44906	0	363.087	63.333	3.519	82
	CB	41819	0	333.586	31.877	3.047	75
	CD	26423	1.155	350.648	50.345	3.137	63
	CG	26374	2.436	327.402	27.272	3.633	44
	N	2395	0.140	430	134.603	23.386	39
SER	H	79203	-15.3	116.95709	8.275	0.710	343
	HA	53278	1.277	58.739	4.475	0.470	465
	HB2	48620	0.61	9.182	3.868	0.277	765
	HB3	45200	0.61	41.7	3.844	0.340	528
	HG	993	0.13	11.36	5.423	1.188	23
	C	51138	0.000	197.1	174.591	3.234	35
	CA	71768	4.331	361.278	58.693	2.744	78
	CB	66574	-939.2800	365.087	63.727	4.784	174
	N	75463	0.000	416.964	116.291	4.176	230
THR	H	70394	0.02	21.7	8.227	0.636	599
	HA	46607	0.87	7.468	4.449	0.477	276
	HB	42632	0.087	71.587	4.169	0.643	84
	HG1	1741	-1.783	11.01	5.197	1.409	36
	MG	42614	-12.1	16.3	1.139	0.276	547
	C	44347	4.780	185.918	174.469	3.917	35
	CA	62025	0.971	92.659	62.210	2.746	116
	CB	57489	-939.2800	629.206	69.597	5.428	168
	CG2	36489	7.177	175.6	21.592	1.884	120
	N	67276	0.0	402	115.368	6.197	70
TRP	H	15347	3.421	17.315	8.264	0.780	108
	HA	10296	2.043	172.573	4.692	1.738	2
	HB2	9716	0.42	5.35	3.177	0.349	147
	HB3	9443	-0.3776	7.972	3.116	0.373	144
	HD1	8639	1.880	10.75	7.129	0.361	135
	HE1	9703	-1.279	131.711	10.098	1.412	45
	HE3	7505	1.85	12.233	7.300	0.518	135
	HH2	7441	2.84	10.900	6.956	0.450	118
	HZ2	8097	2.63	10.81	7.269	0.407	121
	HZ3	7223	0.76	8.898	6.852	0.466	94
	C	9241	2.500	184.30	176.007	5.815	12
	CA	13008	2.966	362.099	57.728	4.646	14
	CB	12063	1.6	328.795	30.057	4.618	23
	CD1	5543	30.236	183.141	126.346	4.376	23
	CD2	190	1.578	155.174	127.148	13.004	2
	CE2	259	56.4176	177.710	137.569	9.370	6
	CE3	4640	-10.872	174.807	120.202	5.415	29
	CG	269	4.174	129.700	110.249	8.964	2
	CH2	4896	-6.333	160.818	123.555	4.906	22
	CZ2	5277	7.107	159.041	114.063	4.505	31
	CZ3	4657	-8.702	161.540	121.178	4.557	22
	N	14070	6.712	423.160	121.631	5.878	14
	NE1	7969	0.53	435.960	129.276	6.139	35
TYR	H	39859	0.02	12.34	8.288	0.737	195
	HA	26289	0.442	7.160	4.609	0.561	215
	HB2	24405	-21.230	23.28	2.898	0.462	206
	HB3	23832	-21.230	23.28	2.834	0.479	251
	HD1	21013	0.190	10.5	6.921	0.370	247
	HD2	17990	0.5522	10.499	6.917	0.374	214
	HE1	19914	0.08	11.8	6.691	0.306	174
	HE2	17161	0.43	11.7	6.691	0.316	153
	HH	464	-0.788	31	9.055	2.092	5
	C	24480	2.200	184.78	175.397	4.518	22
	CA	34081	2.200	357.681	58.145	3.049	26
	CB	31609	18.38	338.686	39.289	3.055	51
	CD1	12923	19.40	141.572	132.376	5.263	67
	CD2	8858	3.492	139.644	132.387	5.206	50
	CE1	12689	40.435	182.764	117.743	4.007	111
	CE2	8732	34.1221	154.10	117.782	3.275	72
	CG	427	7.113	175.115	128.143	13.108	7
	CZ	305	6.839	165.718	155.610	13.323	3
	N	37343	0.2	818	120.707	11.437	37
VAL	H	85946	-0.41	120.980	8.268	0.780	204
	HA	56819	-2.83	54.971	4.166	0.625	128
	HB	52896	-27.480	31.75	1.980	0.443	416
	MG1	53710	-27.2	24.20	0.819	0.330	611
	MG2	52816	-27.2	56.56	0.802	0.424	278
	C	55527	1	205.699	175.651	3.303	29
	CA	76307	20.668	362.057	62.508	3.164	109
	CB	70698	15.597025	331.747	32.707	2.248	152
	CG1	47689	-7.4	321.185	21.537	2.380	91
	CG2	46108	-5.648	320.420	21.345	2.476	93
	N	83019	0.2	529	121.137	7.150	93