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	103724	-0.914	131.25	8.193	0.823	198
	HA	65536	-2.52	17.870	4.243	0.439	1280
	HN	1	8.32	8.32	8.320
	MB	63476	-14.040	5.48	1.353	0.276	1150
	C	66947	0.037	179157	180.426	691.740	1
	CA	91355	17.007	354.698	53.155	2.656	95
	CB	86808	-40.993	318.868	19.029	2.903	216
	N	99649	0.049	766	123.364	5.725	115
ARG	H	68327	0.011	178	8.239	0.994	44
	HA	44722	1.212	12.57	4.287	0.465	538
	HB2	40376	-4.78	27.530	1.789	0.308	523
	HB3	38126	-2.880	27.530	1.760	0.319	548
	HD2	35364	-6.44	5.0	3.108	0.264	697
	HD3	32215	-0.690	44.092	3.094	0.364	390
	HE	11932	1.150	116.661	7.442	2.719	7
	HG2	35991	-1.45	4.2	1.558	0.282	663
	HG3	33369	-1.298	5.47	1.540	0.297	691
	HH11	1003	4.41	11.7	6.931	0.568	22
	HH12	765	4.41	10.727	6.878	0.535	18
	HH21	865	1.233	11.352	6.826	0.644	19
	HH22	711	1.233	60.1410	6.906	2.098	1
	C	41968	0.174	184.96	176.432	3.205	14
	CA	59136	8.369	358.124	56.777	3.193	66
	CB	54844	15.013	329.120	30.671	2.408	154
	CD	30893	18.9350	342.642	43.201	2.801	47
	CG	30663	1.0	328.290	27.253	2.909	56
	CZ	872	43.199	184.497	160.088	7.013	9
	N	64002	0.125	433.808	120.840	4.581	101
	NE	7432	-23.150	149.1080	89.922	13.496	58
	NH1	302	6.450	124.7890	78.903	13.589	6
	NH2	263	66.2	128.470	78.770	13.982	7
ASN	H	56410	0.008	118.641	8.354	1.926	22
	HA	36713	0.896	7.110	4.660	0.360	501
	HB2	34288	-0.827	8.883	2.799	0.334	548
	HB3	33081	-0.948	5.958	2.743	0.358	555
	HD21	25530	0.687	111.320	7.336	0.827	53
	HD22	25204	0.905	111.320	7.144	0.842	116
	C	35379	0.114	187.551	175.219	3.469	21
	CA	49629	2.200	354.022	53.534	3.311	36
	CB	46908	1.9620	342.798	38.712	3.368	51
	CG	2971	0.000	185.503	176.227	8.773	12
	N	53420	0.041	426.314	118.923	5.278	41
	ND2	22134	21.038	1114.29	112.875	12.132	12
ASP	H	81228	-0.35	25.876	8.296	0.582	682
	HA	51520	-3.75	8.66	4.583	0.324	756
	HB2	47843	-5.2	37.4	2.716	0.493	100
	HB3	45883	-1.46	37.2	2.666	0.500	120
	HD2	22	0.968	12.30	5.611	3.198
	C	51900	0.106	184.14	176.366	3.371	27
	CA	71421	5.630	354.531	54.677	2.617	74
	CB	67482	9.7	341.273	40.879	2.435	173
	CG	1138	2.637	188.215	177.345	17.460	14
	N	78380	0.061	428.093	120.717	4.513	120
CYS	H	27260	3.723	12.660	8.374	0.694	160
	HA	21255	-9.858	43.5	4.677	0.946	70
	HB2	20430	-39.82	363.580	3.120	6.080	43
	HB3	19903	-44.2	363.580	3.044	5.513	43
	HG	294	-1.830	10.700	2.080	1.386	6
	C	13174	1.000	187.591	174.750	3.316	10
	CA	19995	30.6688	90.374	57.989	3.494	24
	CB	19010	17.850	111.008	33.471	6.668	21
	N	22094	-147	628	120.343	16.920	82
GLN	H	59302	0.000	122.824	8.243	1.875	23
	HA	37128	0.000	7.43	4.263	0.428	617
	HB2	33548	-1.514	10.461	2.043	0.273	451
	HB3	31837	-1.4980	20.9	2.014	0.320	380
	HE21	23472	-3.41	23.893	7.223	0.499	199
	HE22	23189	0.000	113.695	7.037	0.853	35
	HG2	31203	-1.76	33.5990	2.314	0.329	372
	HG3	28868	-1.395	34.946	2.295	0.353	411
	C	38226	0.069	1755.998	176.330	8.788	16
	CA	52538	1.733	356.830	56.546	2.540	53
	CB	48835	1.843	328.286	29.176	2.414	163
	CD	2969	6.789	190.624	179.334	7.175	7
	CG	28109	2.097	333.032	33.809	2.446	44
	N	57193	0.000	418.059	119.985	4.411	111
	NE2	21178	33.9	412.160	111.874	2.913	70
GLU	H	104980	0.008	123.2260	8.329	0.800	252
	HA	67063	0.433	8.02	4.239	0.409	1239
	HB2	60385	-1.470	4.82	2.018	0.221	857
	HB3	56749	-1.633	8.095	1.995	0.226	823
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	55594	-0.674	4.69	2.265	0.219	934
	HG3	51713	-0.10	4.69	2.246	0.222	835
	C	68080	0.074	184.71	176.843	4.062	45
	CA	92269	1.056	360.826	57.322	3.121	84
	CB	86032	9.08	330.834	29.993	2.974	136
	CD	1204	0.000	198.609	181.205	13.650	8
	CG	50350	6.16	337.230	36.142	2.830	69
	N	101598	0.044	422.043	120.742	4.501	138
GLY	H	102902	-15.3	121.881	8.327	0.813	605
	H1	2	8.373	8.677	8.525	0.215
	HA2	64226	-3.4	8.64	3.959	0.394	1043
	HA3	60964	-3.936	43.9930	3.891	0.432	867
	C	65044	1.000	189.533	173.828	3.559	65
	CA	91008	2.200	344.994	45.368	2.105	187
	N	97811	0.2	791	109.636	6.568	260
HIS	H	28852	-0.3	13.34	8.253	0.723	296
	HA	19285	0.676	11.38	4.615	0.555	240
	HB2	17905	-2.168	45.897	3.154	1.074	132
	HB3	17345	-6.2	38.5	3.096	1.046	140
	HD1	1104	-15	86.5	9.849	8.261	27
	HD2	12493	-25.85	67.8	7.138	3.148	90
	HE1	9807	-26.6	134.811	7.841	2.451	70
	HE2	422	-15	76.4	11.080	7.591	11
	C	17776	1.000	184.204	175.138	4.565	16
	CA	25521	11.40	355.084	56.503	3.274	67
	CB	23892	13.496	329.046	30.314	3.046	70
	CD2	8243	7.19	159.946	119.912	5.490	59
	CE1	6460	8.198	166.282	137.258	5.506	62
	CG	327	18.669	139.83	131.478	8.758	3
	N	27235	0.2	427.146	119.684	5.090	47
	ND1	891	31.026	261.013	191.288	33.329	2
	NE2	805	17.0	257.572	180.659	19.986	21
ILE	H	70686	0.008	11.871	8.257	0.690	376
	HA	45254	-9.0	173.538	4.163	0.974	7
	HB	42416	-2.442	38.700	1.785	0.390	245
	HG12	38380	-10.1	5.56	1.264	0.447	303
	HG13	36886	-10.1	9.71	1.196	0.478	280
	MD	43733	-4.15	13.891	0.674	0.325	699
	MG	40658	-3.919	6.23	0.770	0.302	646
	C	45176	0	187.551	175.836	4.266	31
	CA	62445	20.877	362.184	61.642	3.265	66
	CB	57899	-34.477	339.785	38.555	2.800	98
	CD1	39883	1.358	314.600	13.490	3.311	118
	CG1	34760	8.0	329.288	27.768	3.214	168
	CG2	37022	0.79	317.615	17.601	3.142	123
	N	68161	0.0000	531	121.434	5.876	134
LEU	H	117604	-0.3	119.596	8.217	0.725	399
	H1	1	7.340	7.340	7.340
	HA	74702	0.000	119.411	4.301	0.627	82
	HB2	68364	-1.825	8.02	1.607	0.359	885
	HB3	65506	-1.825	1579.0	1.548	6.175	1
	HG	59961	-2.08	5.965	1.503	0.348	747
	HN	2	7.62	7.76	7.690	0.099
	MD1	70357	-3.42	30.176	0.747	0.327	1118
	MD2	67771	-3.42	24.59	0.729	0.383	658
	C	75143	0.071	189.78	177.015	3.504	32
	CA	103600	1.056	158.320	55.654	2.211	211
	CB	96279	7.439	93.180	42.222	1.987	648
	CD1	61871	0.438	120.700	24.653	2.007	234
	CD2	59159	0.280	116.300	24.131	2.082	183
	CG	53214	0.000	75.280	26.805	1.461	407
	N	112931	0.044	627	121.941	7.369	113
LYS	H	99401	0.002	123.7085	8.191	1.526	34
	HA	64731	-0.118	32.650	4.256	0.451	730
	HB2	58066	-1.416	10.94	1.775	0.263	952
	HB3	54615	-3.038	9.43	1.748	0.279	894
	HD2	46375	-1.6800	119.620	1.608	0.618	36
	HD3	41649	-2.02	29.047	1.597	0.270	603
	HE2	45699	-0.493	42.02	2.911	0.280	537
	HE3	40245	-0.046	7.344	2.904	0.220	850
	HG2	52334	-1.654	8.362	1.364	0.271	1044
	HG3	48287	-1.83	5.575	1.349	0.279	1008
	HZ	5	7.666	7.989	7.826	0.158
	C	60881	0.112	996.253	176.632	5.348	39
	CA	84627	1.155	359.222	56.951	3.065	77
	CB	78844	-26.686	332.988	32.767	2.775	116
	CD	42738	0.834	329.284	28.997	2.530	82
	CE	41145	-0.130	342.334	41.927	2.909	73
	CG	45492	12.109	325.487	24.955	2.989	98
	N	93558	0.041	427.245	121.053	4.758	146
	NZ	348	1.950	177.2	50.983	33.193	3
	QZ	1790	-10.9	10.506	7.351	1.010	45
MET	H	27914	-0.21	177	8.255	1.177	23
	HA	18491	-0.93	313.565	4.409	2.324	1
	HB2	16502	-27.312	33.750	2.025	0.563	93
	HB3	15502	-27.312	12.94	1.996	0.506	119
	HG2	15137	-33.86	32.7	2.381	1.397	49
	HG3	14296	-33.86	31.7	2.356	1.505	49
	ME	11895	-24.86	10.2000	1.786	1.478	89
	C	18533	2.200	183.25	176.209	3.208	7
	CA	26061	25.7283	85.327	56.131	2.270	63
	CB	24004	0.2	332.173	32.953	3.065	57
	CE	10872	0.000	317.645	17.239	4.013	56
	CG	13176	2.30	332.686	32.067	3.098	33
	N	27179	0.000	428.252	120.103	4.866	46
PHE	H	50119	-0.5	12.357	8.332	0.730	319
	HA	31967	1.33	59.70	4.614	0.712	29
	HB2	29710	-0.463	7.979	2.994	0.379	405
	HB3	28943	-0.212	12.72	2.936	0.397	427
	HD1	24684	0.603	12.154	7.039	0.393	245
	HD2	20957	0.603	12.154	7.040	0.405	206
	HE1	21488	-2.838	14.080	7.065	0.443	181
	HE2	18456	0	12.9	7.063	0.438	167
	HZ	14986	-7.14	43.623	6.995	0.700	122
	C	31613	0.088	184.929	175.449	2.918	12
	CA	43829	4.917	363.618	58.109	3.658	40
	CB	41019	2.161	341.700	39.915	3.420	53
	CD1	14988	7.160	148.7280	131.207	5.735	71
	CD2	10571	7.160	140.309	131.343	4.391	36
	CE1	13021	0.000	149.609	130.351	5.692	62
	CE2	9181	7.307	149.609	130.544	4.087	36
	CG	511	7.229	156.3	137.458	10.616	4
	CZ	9679	7.351	165.611	129.039	4.095	34
	N	47812	0.067	422.843	120.396	5.414	70
PRO	H	8	7.808	8.995	8.389	0.408
	H2	5	8.070	9.673	8.756	0.710
	HA	36597	0.636	135.80	4.386	0.770	50
	HB2	33771	-1.501	5.63	2.069	0.368	594
	HB3	32748	-3.48	6.10	1.998	0.381	609
	HD2	31101	-6.56	7.67	3.637	0.440	461
	HD3	29995	-6.56	8.353	3.603	0.460	556
	HG2	30245	-2.35	7.395	1.919	0.340	722
	HG3	28085	-1.520	4.92	1.895	0.350	677
	C	34263	0	183.517	176.661	4.084	31
	CA	48407	0	363.087	63.330	3.411	89
	CB	44934	0	333.586	31.874	2.961	78
	CD	27706	1.155	350.648	50.346	3.071	66
	CG	27648	2.436	327.402	27.269	3.555	44
	N	2888	0.140	430	134.838	21.391	39
SER	H	86407	-15.3	116.95709	8.274	0.696	384
	HA	55844	1.277	58.739	4.475	0.466	517
	HB2	50903	0.61	9.182	3.868	0.275	804
	HB3	47180	0.61	41.7	3.845	0.336	559
	HG	1063	0.13	11.36	5.396	1.174	26
	HN	1	7.91	7.91	7.910
	C	55868	0.000	197.1	174.557	3.640	41
	CA	78126	4.331	361.278	58.682	2.692	87
	CB	72239	-939.2800	365.087	63.724	4.617	180
	N	82743	0.000	416.964	116.290	4.099	291
THR	H	76437	0.02	21.7	8.226	0.632	654
	HA	48839	0.87	7.468	4.448	0.476	293
	HB	44553	0.087	71.587	4.169	0.632	93
	HG1	1829	-1.783	11.01	5.166	1.427	33
	MG	44583	-12.1	16.3	1.139	0.273	577
	C	48215	4.780	185.918	174.461	3.915	38
	CA	67188	0.971	92.659	62.205	2.726	127
	CB	62097	-939.2800	629.206	69.600	5.242	170
	CG2	38345	7.177	175.6	21.593	1.850	127
	N	73277	0.0	402	115.368	6.103	80
TRP	H	16549	3.421	17.315	8.262	0.783	111
	HA	10754	2.043	172.573	4.689	1.704	2
	HB2	10124	0.42	5.35	3.177	0.346	152
	HB3	9835	-0.3776	7.972	3.117	0.371	153
	HD1	8959	1.880	10.75	7.129	0.360	141
	HE1	10159	-1.279	131.711	10.099	1.385	49
	HE3	7760	1.85	12.233	7.302	0.514	138
	HH2	7710	2.84	10.900	6.957	0.447	125
	HZ2	8376	2.63	10.81	7.269	0.404	124
	HZ3	7479	0.76	8.898	6.854	0.464	97
	C	10010	2.500	184.30	176.027	5.615	12
	CA	13983	2.966	362.099	57.739	4.525	14
	CB	12906	1.6	328.795	30.041	4.491	23
	CD1	5749	30.236	183.141	126.351	4.311	24
	CD2	199	1.578	155.174	126.678	14.721	3
	CE2	274	56.4176	177.710	137.337	9.350	6
	CE3	4804	-10.872	174.807	120.214	5.333	29
	CG	284	4.174	129.700	110.290	8.731	4
	CH2	5079	-6.333	160.818	123.567	4.823	22
	CZ2	5477	7.107	159.041	114.075	4.433	32
	CZ3	4828	-8.702	161.540	121.182	4.489	22
	N	15257	6.712	423.160	121.612	5.758	15
	NE1	8354	0.53	435.960	129.278	6.008	36
TYR	H	43150	0.02	12.34	8.284	0.735	221
	HA	27386	0.442	7.160	4.608	0.559	227
	HB2	25422	-21.230	23.28	2.899	0.457	217
	HB3	24785	-21.230	23.28	2.835	0.475	260
	HD1	21807	0.190	10.5	6.921	0.367	257
	HD2	18694	0.5522	10.499	6.918	0.370	220
	HE1	20658	0.08	11.8	6.691	0.303	185
	HE2	17818	0.43	11.7	6.691	0.313	156
	HH	496	-0.788	31	9.052	2.092	5
	C	26508	2.200	184.78	175.407	4.376	22
	CA	36730	2.200	357.681	58.142	3.005	28
	CB	34023	18.38	338.686	39.275	2.995	55
	CD1	13473	19.40	141.572	132.392	5.198	69
	CD2	9241	3.492	139.644	132.400	5.162	52
	CE1	13224	40.435	182.764	117.749	3.930	112
	CE2	9126	34.1221	154.10	117.790	3.213	73
	CG	475	7.113	175.115	128.269	12.461	7
	CZ	345	6.839	165.718	155.857	12.555	3
	N	40580	0.2	818	120.666	11.044	38
VAL	H	92855	-0.41	15.050	8.266	0.674	439
	H1	1	8.025	8.025	8.025
	HA	59347	-2.83	54.971	4.165	0.622	133
	HB	55123	-27.480	31.75	1.981	0.438	435
	MG1	56194	-27.2	24.20	0.819	0.328	650
	MG2	55305	-27.2	56.56	0.802	0.418	312
	C	60043	1	205.699	175.649	3.275	36
	CA	82275	-17.046	362.057	62.503	3.149	111
	CB	76144	15.597025	331.747	32.697	2.216	160
	CG1	50225	-7.4	321.185	21.532	2.338	94
	CG2	48577	-5.648	320.420	21.346	2.435	96
	N	89999	0.2	529	121.139	6.995	99