BMRB - Biological Magnetic Resonance Bank

Statistics Calculated for All Chemical Shifts from Atoms in the 20 Common Amino Acids

Compound ID	Atom Name	Number of Shifts	Minimum Shift	Maximum Shift	Average Shift	Standard Deviation	Shift Outliers
ALA	H	112584	-0.914	131.25	8.197	0.878	150
	H1	1	7.401	7.401	7.401
	HA	68262	-2.52	17.870	4.243	0.439	1331
	HN	1	8.32	8.32	8.320
	MB	66576	-14.040	11.3746	1.352	0.278	1187
	C	72842	0.037	187.2	177.743	3.444	48
	CA	98893	17.007	354.698	53.133	2.603	98
	CB	94070	-40.993	318.868	19.024	2.828	221
	N	108455	0.049	766	123.394	5.602	126
ARG	H	73584	0.011	178	8.240	0.971	54
	HA	46383	1.212	12.57	4.287	0.464	572
	HB2	41803	-4.78	27.530	1.789	0.306	551
	HB3	39434	-2.880	27.530	1.759	0.318	572
	HD2	36569	-6.44	5.0	3.107	0.263	722
	HD3	33274	-0.690	44.092	3.094	0.360	399
	HE	12313	1.150	116.661	7.440	2.679	7
	HG2	37213	-1.45	4.2	1.558	0.283	681
	HG3	34469	-1.298	5.47	1.540	0.297	722
	HH11	1021	4.41	11.7	6.930	0.566	24
	HH12	781	4.41	10.727	6.878	0.533	18
	HH21	876	1.233	11.352	6.824	0.641	19
	HH22	722	1.233	60.1410	6.902	2.082	1
	C	45161	0.174	184.96	176.423	3.129	14
	CA	63419	8.369	358.124	56.756	3.136	66
	CB	58729	15.013	329.120	30.664	2.374	174
	CD	32021	18.9350	342.642	43.197	2.759	48
	CG	31842	0.000	328.290	27.243	2.871	58
	CZ	900	43.199	184.497	160.096	6.919	9
	N	69160	0.125	433.808	120.870	4.520	123
	NE	7621	-23.150	166.804	89.858	13.457	62
	NH1	307	6.450	124.7890	78.836	13.509	6
	NH2	265	66.2	128.470	78.707	13.948	7
ASN	H	60626	0.008	118.641	8.353	1.864	31
	HA	38081	0.896	7.110	4.660	0.360	520
	HB2	35531	-0.827	8.883	2.798	0.333	577
	HB3	34277	-0.948	5.958	2.742	0.356	576
	HD21	26348	0.687	111.320	7.334	0.818	53
	HD22	26011	0.905	111.320	7.145	0.834	118
	C	38054	0.114	187.551	175.209	3.309	21
	CA	53266	2.200	354.022	53.518	3.230	38
	CB	50275	1.9620	342.798	38.705	3.283	55
	CG	3093	0.000	185.503	176.247	8.603	12
	N	57593	0.041	426.314	118.943	5.194	46
	ND2	22815	21.038	1114.29	112.876	11.957	12
ASP	H	87147	-0.35	25.876	8.295	0.579	747
	H1	1	8.133	8.133	8.133
	HA	53349	-3.75	8.66	4.582	0.324	782
	HB2	49465	-5.2	37.4	2.715	0.487	108
	HB3	47387	-1.46	37.2	2.666	0.494	129
	HD2	23	0.968	12.30	5.509	3.163
	C	55612	0.106	184.14	176.355	3.352	28
	CA	76437	5.630	354.531	54.665	2.578	87
	CB	72109	9.7	341.273	40.879	2.391	191
	CG	1190	2.637	188.215	177.331	17.627	15
	N	84224	0.061	428.093	120.727	4.449	133
CYS	H	28918	3.723	12.660	8.372	0.693	167
	HA	22089	-9.858	43.5	4.677	0.932	75
	HB2	21181	-39.82	363.580	3.112	5.971	46
	HB3	20618	-44.2	363.580	3.038	5.417	43
	HG	306	-1.830	10.700	2.050	1.387	6
	C	14022	1.000	187.591	174.723	3.256	10
	CA	21262	30.6688	90.374	57.969	3.489	24
	CB	20180	17.850	111.008	33.451	6.662	21
	N	23577	-147	628	120.341	16.415	82
GLN	H	64467	0.000	122.824	8.243	1.806	24
	HA	38566	0.000	29.948	4.264	0.466	401
	HB2	34760	-1.514	10.461	2.042	0.273	468
	HB3	32992	-1.4980	20.9	2.014	0.318	397
	HE21	24235	-3.41	23.893	7.220	0.498	205
	HE22	23942	0.000	113.695	7.038	0.844	41
	HG2	32287	-1.76	33.5990	2.314	0.328	387
	HG3	29879	-1.395	34.946	2.294	0.352	432
	C	41104	0.069	1755.998	176.306	8.489	16
	CA	56446	1.733	356.830	56.519	2.508	55
	CB	52431	1.843	328.286	29.171	2.372	175
	CD	3085	6.789	190.624	179.336	7.043	7
	CG	29242	0.000	333.032	33.799	2.420	47
	N	62289	0.000	418.059	120.039	4.327	122
	NE2	21820	33.9	412.160	111.878	2.888	73
GLU	H	112555	0.008	123.2260	8.331	0.786	289
	HA	69521	0.433	8.02	4.239	0.409	1280
	HB2	62511	-1.470	4.82	2.018	0.220	891
	HB3	58696	-1.633	8.095	1.995	0.226	839
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	57390	-0.674	4.69	2.264	0.219	951
	HG3	53341	-0.10	4.69	2.246	0.221	867
	C	72871	0.074	184.71	176.832	3.952	46
	CA	98572	1.056	360.826	57.304	3.061	87
	CB	91800	9.08	330.834	29.988	2.908	148
	CD	1264	0.000	198.609	181.279	13.332	8
	CG	52210	6.16	337.230	36.137	2.790	71
	N	109082	0.044	422.043	120.763	4.433	151
GLY	H	111699	-15.3	121.881	8.327	0.851	517
	H1	2	8.373	8.677	8.525	0.215
	HA2	66949	-3.4	8.64	3.958	0.396	1096
	HA3	63441	-3.936	43.9930	3.890	0.429	914
	C	70568	1.000	189.533	173.832	3.461	68
	CA	98293	2.200	344.994	45.360	2.055	194
	N	106547	0.2	791	109.636	6.388	305
HIS	H	30996	-0.3	177.991	8.258	1.202	43
	H2	1	7.839	7.839	7.839
	HA	20047	0.676	11.38	4.613	0.550	249
	HB2	18596	-2.168	45.897	3.151	1.056	134
	HB3	18014	-6.2	38.5	3.093	1.029	141
	HD1	1154	-15	86.5	9.790	8.090	29
	HD2	12912	-25.85	67.8	7.133	3.100	90
	HE1	10074	-26.6	134.811	7.842	2.422	90
	HE2	442	-15	76.4	10.975	7.438	11
	C	19055	1.000	184.204	175.129	4.436	16
	CA	27325	11.40	355.084	56.482	3.212	68
	CB	25502	13.496	329.046	30.317	2.994	84
	CD2	8515	7.19	159.946	119.930	5.433	59
	CE1	6652	8.198	166.282	137.265	5.437	62
	CG	340	18.669	139.83	131.561	8.626	3
	N	29333	0.2	427.146	119.694	5.022	49
	ND1	926	31.026	261.013	189.762	34.404	2
	NE2	824	17.0	257.572	180.699	19.939	21
ILE	H	75691	0.008	11.871	8.256	0.686	406
	HA	46810	-9.0	173.538	4.163	0.963	7
	HB	43812	-2.442	38.700	1.784	0.387	254
	HG12	39558	-10.1	5.56	1.263	0.445	313
	HG13	38017	-10.1	9.71	1.196	0.476	286
	MD	45762	-4.15	13.891	0.674	0.324	737
	MG	41995	-3.919	6.23	0.770	0.301	681
	C	48194	0	187.551	175.834	4.222	32
	CA	66639	20.877	362.184	61.628	3.231	69
	CB	61640	-34.477	339.785	38.553	2.764	120
	CD1	41957	1.358	314.600	13.480	3.251	118
	CG1	36062	8.0	329.288	27.761	3.175	177
	CG2	38454	0.79	317.615	17.593	3.094	132
	N	73170	0.0000	531	121.429	5.826	143
LEU	H	126572	-0.3	119.596	8.218	0.718	429
	H1	6	7.340	8.484	8.204	0.446
	HA	77406	0.000	119.411	4.300	0.622	93
	HB2	70677	-1.825	8.02	1.606	0.358	918
	HB3	67668	-1.825	1579.0	1.548	6.076	1
	HG	61855	-2.08	26.85	1.503	0.364	667
	HN	2	7.62	7.76	7.690	0.099
	MD1	73770	-3.42	30.176	0.747	0.337	1080
	MD2	71069	-3.42	24.59	0.729	0.390	649
	C	80742	0.071	189.78	177.011	3.415	32
	CA	111157	1.056	158.320	55.644	2.201	223
	CB	102974	7.439	93.180	42.209	1.987	723
	CD1	65177	0.438	120.700	24.645	1.993	248
	CD2	62274	0.280	116.300	24.129	2.065	188
	CG	55121	0.000	75.280	26.803	1.454	426
	N	121796	0.044	627	121.961	7.213	126
LYS	H	106279	0.002	123.7085	8.190	1.484	35
	HA	67071	-0.118	33.308	4.256	0.463	637
	HB2	60027	-1.416	10.94	1.775	0.263	979
	HB3	56406	-3.038	9.43	1.748	0.279	935
	HD2	47893	-1.6800	119.620	1.607	0.610	41
	HD3	42977	-2.02	29.047	1.597	0.269	630
	HE2	47162	-0.493	42.02	2.911	0.279	564
	HE3	41550	-0.046	7.344	2.904	0.220	882
	HG2	54015	-1.654	8.362	1.364	0.270	1086
	HG3	49847	-1.83	5.575	1.349	0.279	1035
	HZ	5	7.666	7.989	7.826	0.158
	C	64970	0.112	996.253	176.623	5.199	39
	CA	90270	1.155	359.222	56.937	3.015	80
	CB	83885	-26.686	332.988	32.764	2.728	127
	CD	44171	0.0000	329.284	28.994	2.506	88
	CE	42503	-0.130	342.334	41.924	2.875	75
	CG	47067	0.0000	325.487	24.948	2.951	102
	N	100235	0.041	427.245	121.069	4.700	160
	NZ	367	1.950	177.2	50.894	33.149	3
	QZ	1862	-10.9	10.506	7.358	1.001	48
MET	H	29836	-0.21	177	8.258	1.147	24
	H1	1	8.237	8.237	8.237
	H2	1	8.279	8.279	8.279
	HA	19095	-0.93	313.565	4.409	2.288	1
	HB2	17021	-27.312	33.750	2.025	0.557	97
	HB3	15982	-27.312	12.94	1.996	0.502	123
	HG2	15573	-33.86	32.7	2.381	1.379	51
	HG3	14700	-33.86	31.7	2.357	1.485	49
	ME	12421	-24.86	10.2000	1.788	1.448	89
	C	19847	2.200	185.212	176.193	3.140	7
	CA	27877	25.7283	85.327	56.113	2.265	67
	CB	25625	0.2	332.173	32.954	3.016	59
	CE	11378	0.000	317.645	17.228	3.933	56
	CG	13636	2.30	332.686	32.061	3.057	33
	N	29123	0.000	428.252	120.151	4.892	50
PHE	H	53896	-0.5	12.357	8.332	0.727	354
	HA	33154	1.33	59.70	4.612	0.706	31
	HB2	30816	-0.463	7.979	2.993	0.378	414
	HB3	30012	-0.212	12.72	2.935	0.396	439
	HD1	25469	0.603	12.154	7.038	0.392	256
	HD2	21650	0.603	12.154	7.040	0.403	212
	HE1	22140	-2.838	14.080	7.064	0.441	187
	HE2	19037	0	12.9	7.063	0.436	171
	HZ	15394	-7.14	43.623	6.994	0.696	124
	C	33906	0.088	184.929	175.442	2.863	15
	CA	46960	4.917	363.618	58.095	3.590	46
	CB	43833	2.161	341.700	39.902	3.347	58
	CD1	15452	7.160	148.7280	131.207	5.696	73
	CD2	10868	7.160	140.309	131.347	4.337	37
	CE1	13388	0.000	149.609	130.347	5.674	64
	CE2	9415	7.307	149.609	130.543	4.051	37
	CG	540	0.0000	156.3	137.195	11.911	5
	CZ	9935	7.351	165.611	129.035	4.113	37
	N	51491	0.067	422.843	120.401	5.405	76
PRO	H	19	7.264	9.521	8.511	0.546
	H2	5	8.070	9.673	8.756	0.710
	HA	38204	0.636	135.80	4.385	0.757	53
	HB2	35102	-1.501	5.63	2.069	0.368	624
	HB3	34041	-3.48	6.10	1.997	0.379	629
	HD2	32207	-6.56	7.67	3.637	0.438	478
	HD3	31057	-6.56	8.353	3.603	0.458	575
	HG2	31320	-2.35	7.395	1.918	0.339	760
	HG3	29075	-1.520	4.92	1.895	0.348	704
	C	37601	0	183.517	176.671	3.919	31
	CA	52527	0	363.087	63.321	3.304	101
	CB	48619	0	333.586	31.872	2.868	82
	CD	28854	1.155	350.648	50.339	3.018	66
	CG	28897	2.436	327.402	27.269	3.597	48
	N	3375	0.140	430	134.837	19.958	39
SER	H	94951	-15.3	116.95709	8.277	0.685	417
	H1	1	7.930	7.930	7.930
	HA	58116	1.277	58.739	4.474	0.464	554
	HB2	52855	0.61	9.182	3.867	0.274	833
	HB3	48965	0.61	41.7	3.844	0.333	582
	HG	1193	0.13	11.36	5.349	1.241	24
	HN	1	7.91	7.91	7.910
	C	61109	0.000	197.1	174.548	3.511	46
	CA	85088	4.331	656.505	58.665	3.336	63
	CB	78535	-939.2800	365.087	63.722	4.456	190
	N	91307	0.000	416.964	116.320	4.060	328
THR	H	82674	0.0000	21.7	8.226	0.630	697
	H1	1	8.810	8.810	8.810
	HA	50664	0.87	7.468	4.448	0.475	302
	HB	46108	0.087	71.587	4.169	0.624	100
	HG1	1918	-1.783	11.01	5.133	1.456	27
	MG	46497	-12.1	16.3	1.138	0.271	611
	C	52053	4.780	185.918	174.455	3.796	39
	CA	72466	0.971	92.659	62.194	2.705	139
	CB	66814	-939.2800	629.206	69.608	5.073	171
	CG2	40364	7.177	175.6	21.583	1.827	131
	N	79548	0.0	402	115.382	6.023	90
TRP	H	17971	3.421	17.315	8.264	0.784	113
	HA	11236	2.043	172.573	4.688	1.671	2
	HB2	10574	0.42	5.35	3.175	0.346	161
	HB3	10268	-0.3776	7.972	3.115	0.372	155
	HD1	9303	1.880	10.75	7.127	0.361	146
	HE1	10731	-1.279	131.711	10.099	1.356	54
	HE3	8044	1.85	12.233	7.301	0.515	152
	HH2	7990	2.84	10.900	6.960	0.443	134
	HZ2	8689	2.63	10.81	7.270	0.401	126
	HZ3	7760	0.76	8.898	6.857	0.459	99
	C	10750	2.500	184.30	176.040	5.443	12
	CA	15031	2.966	362.099	57.727	4.422	16
	CB	13831	1.6	328.795	30.030	4.377	23
	CD1	5968	30.236	183.141	126.333	4.266	26
	CD2	207	1.578	155.174	126.773	14.443	3
	CE2	280	56.4176	177.710	137.362	9.251	6
	CE3	4978	-10.872	174.807	120.203	5.284	30
	CG	293	4.174	129.700	110.291	8.597	4
	CH2	5267	-6.333	160.818	123.556	4.832	25
	CZ2	5685	7.107	159.041	114.081	4.385	33
	CZ3	5007	-8.702	161.540	121.172	4.506	23
	N	16617	6.712	423.160	121.632	5.829	20
	NE1	8834	0.53	435.960	129.280	5.861	38
TYR	H	47127	0.02	117.5936	8.283	0.887	75
	H1	1	8.359	8.359	8.359
	HA	28515	0.442	7.160	4.606	0.558	236
	HB2	26416	-21.230	23.28	2.898	0.454	228
	HB3	25741	-21.230	23.28	2.835	0.471	273
	HD1	22568	0.190	10.5	6.920	0.365	271
	HD2	19384	0.5522	10.499	6.918	0.368	235
	HE1	21364	0.08	11.8	6.690	0.301	194
	HE2	18469	0.43	11.7	6.692	0.311	174
	HH	518	-0.788	31	9.008	2.099	5
	C	28586	2.200	184.78	175.409	4.256	23
	CA	39573	2.200	357.681	58.128	2.966	30
	CB	36480	18.38	338.686	39.270	2.947	62
	CD1	13919	19.40	141.572	132.393	5.161	72
	CD2	9554	3.492	139.7599743	132.405	5.093	56
	CE1	13670	40.435	182.764	117.743	3.962	114
	CE2	9453	34.1221	154.10	117.791	3.163	74
	CG	496	7.113	175.115	128.256	12.198	7
	CZ	365	6.839	165.718	155.996	12.227	3
	N	44499	0.2	818	120.647	10.627	40
VAL	H	99907	-0.41	15.050	8.266	0.672	463
	H1	2	8.025	8.194	8.110	0.120
	HA	61520	-2.83	54.971	4.165	0.619	141
	HB	57029	-27.480	31.75	1.981	0.435	453
	MG1	58877	-27.2	24.20	0.817	0.331	659
	MG2	57881	-27.2	56.56	0.802	0.414	342
	C	64156	1	205.699	175.641	3.203	36
	CA	87971	-17.046	362.057	62.485	3.122	119
	CB	81177	15.597025	331.747	32.689	2.189	167
	CG1	52897	-7.4	321.185	21.521	2.302	100
	CG2	51093	-5.648	320.420	21.341	2.400	99
	N	97041	0.2	529	121.153	6.849	110