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	112120	-0.914	131.25	8.197	0.879	150
	H1	1	7.401	7.401	7.401
	HA	68166	-2.52	17.870	4.243	0.439	1330
	HN	1	8.32	8.32	8.320
	MB	66439	-14.040	11.3746	1.352	0.278	1186
	C	72564	0.037	187.2	177.746	3.448	48
	CA	98590	17.007	354.698	53.135	2.605	98
	CB	93775	-40.993	318.868	19.023	2.831	221
	N	107970	0.049	766	123.393	5.610	126
ARG	H	73223	0.011	178	8.240	0.973	54
	HA	46311	1.212	12.57	4.287	0.464	572
	HB2	41733	-4.78	27.530	1.789	0.307	546
	HB3	39366	-2.880	27.530	1.759	0.318	572
	HD2	36513	-6.44	5.0	3.107	0.263	722
	HD3	33218	-0.690	44.092	3.094	0.360	399
	HE	12295	1.150	116.661	7.439	2.681	7
	HG2	37153	-1.45	4.2	1.558	0.283	680
	HG3	34410	-1.298	5.47	1.540	0.297	722
	HH11	1020	4.41	11.7	6.929	0.566	24
	HH12	780	4.41	10.727	6.878	0.533	18
	HH21	875	1.233	11.352	6.824	0.642	19
	HH22	721	1.233	60.1410	6.903	2.084	1
	C	45023	0.174	184.96	176.425	3.132	14
	CA	63263	8.369	358.124	56.758	3.138	66
	CB	58574	15.013	329.120	30.664	2.375	174
	CD	31977	18.9350	342.642	43.197	2.761	48
	CG	31796	0.000	328.290	27.243	2.873	58
	CZ	895	43.199	184.497	160.097	6.939	9
	N	68799	0.125	433.808	120.869	4.525	123
	NE	7614	-23.150	166.804	89.863	13.463	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	60400	0.008	118.641	8.352	1.867	31
	HA	38010	0.896	7.110	4.659	0.360	523
	HB2	35461	-0.827	8.883	2.798	0.333	577
	HB3	34209	-0.948	5.958	2.742	0.356	574
	HD21	26293	0.687	111.320	7.334	0.818	53
	HD22	25955	0.905	111.320	7.145	0.834	118
	C	37903	0.114	187.551	175.211	3.313	21
	CA	53100	2.200	354.022	53.519	3.233	38
	CB	50110	1.9620	342.798	38.705	3.286	55
	CG	3090	0.000	185.503	176.245	8.607	12
	N	57365	0.041	426.314	118.942	5.198	45
	ND2	22757	21.038	1114.29	112.875	11.971	12
ASP	H	86824	-0.35	25.876	8.295	0.579	747
	H1	1	8.133	8.133	8.133
	HA	53271	-3.75	8.66	4.582	0.324	782
	HB2	49386	-5.2	37.4	2.715	0.487	108
	HB3	47309	-1.46	37.2	2.666	0.494	129
	HD2	23	0.968	12.30	5.509	3.163
	C	55424	0.106	184.14	176.355	3.356	28
	CA	76233	5.630	354.531	54.665	2.580	87
	CB	71910	9.7	341.273	40.879	2.393	191
	CG	1189	2.637	188.215	177.329	17.635	15
	N	83894	0.061	428.093	120.727	4.453	132
CYS	H	28795	3.723	12.660	8.373	0.692	171
	HA	22053	-9.858	43.5	4.677	0.933	74
	HB2	21146	-39.82	363.580	3.113	5.976	46
	HB3	20583	-44.2	363.580	3.039	5.422	43
	HG	303	-1.830	10.700	2.064	1.386	6
	C	13964	1.000	187.591	174.728	3.259	10
	CA	21194	30.6688	90.374	57.974	3.489	24
	CB	20116	17.850	111.008	33.441	6.656	21
	N	23453	-147	628	120.340	16.455	82
GLN	H	64165	0.000	122.824	8.243	1.810	24
	HA	38508	0.000	29.948	4.264	0.466	400
	HB2	34704	-1.514	10.461	2.042	0.273	467
	HB3	32937	-1.4980	20.9	2.014	0.318	397
	HE21	24197	-3.41	23.893	7.220	0.498	205
	HE22	23904	0.000	113.695	7.038	0.844	41
	HG2	32241	-1.76	33.5990	2.313	0.328	387
	HG3	29836	-1.395	34.946	2.294	0.352	432
	C	40954	0.069	1755.998	176.309	8.503	16
	CA	56275	1.733	356.830	56.521	2.509	55
	CB	52261	1.843	328.286	29.170	2.374	175
	CD	3083	6.789	190.624	179.337	7.045	7
	CG	29198	0.000	333.032	33.798	2.421	47
	N	61985	0.000	418.059	120.037	4.330	122
	NE2	21782	33.9	412.160	111.877	2.889	72
GLU	H	112081	0.008	123.2260	8.331	0.787	283
	HA	69407	0.433	8.02	4.239	0.409	1277
	HB2	62398	-1.470	4.82	2.017	0.220	886
	HB3	58583	-1.633	8.095	1.995	0.226	837
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	57295	-0.674	4.69	2.264	0.219	951
	HG3	53246	-0.10	4.69	2.246	0.221	866
	C	72652	0.074	184.71	176.834	3.957	46
	CA	98325	1.056	360.826	57.306	3.063	87
	CB	91562	9.08	330.834	29.987	2.911	146
	CD	1263	0.000	198.609	181.278	13.337	8
	CG	52123	6.16	337.230	36.136	2.793	71
	N	108608	0.044	422.043	120.763	4.437	151
GLY	H	111251	-15.3	121.881	8.327	0.852	514
	H1	2	8.373	8.677	8.525	0.215
	HA2	66858	-3.4	8.64	3.958	0.396	1095
	HA3	63352	-3.936	43.9930	3.890	0.430	898
	C	70291	1.000	189.533	173.833	3.467	68
	CA	97990	2.200	344.994	45.360	2.057	194
	N	106086	0.2	791	109.635	6.399	304
HIS	H	30867	-0.3	177.991	8.257	1.204	43
	H2	1	7.839	7.839	7.839
	HA	20015	0.676	11.38	4.614	0.550	249
	HB2	18565	-2.168	45.897	3.151	1.057	134
	HB3	17983	-6.2	38.5	3.094	1.030	141
	HD1	1152	-15	86.5	9.792	8.097	29
	HD2	12887	-25.85	67.8	7.134	3.102	90
	HE1	10057	-26.6	134.811	7.842	2.424	87
	HE2	442	-15	76.4	10.975	7.438	11
	C	18991	1.000	184.204	175.130	4.443	16
	CA	27254	11.40	355.084	56.483	3.215	68
	CB	25435	13.496	329.046	30.316	2.996	84
	CD2	8495	7.19	159.946	119.928	5.438	59
	CE1	6637	8.198	166.282	137.263	5.443	62
	CG	340	18.669	139.83	131.561	8.626	3
	N	29204	0.2	427.146	119.694	5.023	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	75427	0.008	11.871	8.256	0.687	405
	HA	46753	-9.0	173.538	4.163	0.963	7
	HB	43754	-2.442	38.700	1.784	0.387	254
	HG12	39506	-10.1	5.56	1.263	0.445	312
	HG13	37966	-10.1	9.71	1.196	0.476	286
	MD	45681	-4.15	13.891	0.674	0.324	735
	MG	41925	-3.919	6.23	0.769	0.301	680
	C	48076	0	187.551	175.835	4.226	32
	CA	66506	20.877	362.184	61.629	3.232	69
	CB	61507	-34.477	339.785	38.552	2.766	120
	CD1	41869	1.358	314.600	13.479	3.253	118
	CG1	35995	8.0	329.288	27.760	3.177	177
	CG2	38372	0.79	317.615	17.593	3.097	132
	N	72890	0.0000	531	121.430	5.833	143
LEU	H	126060	-0.3	119.596	8.218	0.718	428
	H1	6	7.340	8.484	8.204	0.446
	HA	77281	0.000	119.411	4.299	0.622	92
	HB2	70552	-1.825	8.02	1.607	0.358	918
	HB3	67544	-1.825	1579.0	1.548	6.081	1
	HG	61758	-2.08	26.85	1.503	0.364	667
	HN	2	7.62	7.76	7.690	0.099
	MD1	73553	-3.42	30.176	0.747	0.337	1076
	MD2	70854	-3.42	24.59	0.729	0.390	647
	C	80443	0.071	189.78	177.013	3.420	32
	CA	110824	1.056	158.320	55.645	2.202	223
	CB	102645	7.439	93.180	42.208	1.988	720
	CD1	64948	0.438	120.700	24.645	1.994	248
	CD2	62060	0.280	116.300	24.128	2.067	188
	CG	55007	0.000	75.280	26.802	1.455	424
	N	121253	0.044	627	121.957	7.224	126
LYS	H	105755	0.002	123.7085	8.190	1.487	35
	HA	66917	-0.118	33.308	4.256	0.463	637
	HB2	59879	-1.416	10.94	1.775	0.263	975
	HB3	56260	-3.038	9.43	1.748	0.279	931
	HD2	47790	-1.6800	119.620	1.607	0.610	41
	HD3	42876	-2.02	29.047	1.597	0.269	626
	HE2	47067	-0.493	42.02	2.911	0.279	561
	HE3	41457	-0.046	7.344	2.904	0.220	879
	HG2	53901	-1.654	8.362	1.364	0.270	1085
	HG3	49735	-1.83	5.575	1.349	0.279	1034
	HZ	5	7.666	7.989	7.826	0.158
	C	64687	0.112	996.253	176.625	5.209	39
	CA	89946	1.155	359.222	56.938	3.018	80
	CB	83570	-26.686	332.988	32.763	2.731	127
	CD	44068	0.834	329.284	28.995	2.505	87
	CE	42408	-0.130	342.334	41.924	2.871	74
	CG	46953	12.109	325.487	24.949	2.950	100
	N	99708	0.041	427.245	121.067	4.704	159
	NZ	367	1.950	177.2	50.894	33.149	3
	QZ	1861	-10.9	10.506	7.358	1.001	48
MET	H	29717	-0.21	177	8.258	1.149	24
	H1	1	8.237	8.237	8.237
	H2	1	8.279	8.279	8.279
	HA	19053	-0.93	313.565	4.409	2.290	1
	HB2	16980	-27.312	33.750	2.025	0.557	96
	HB3	15942	-27.312	12.94	1.996	0.503	121
	HG2	15540	-33.86	32.7	2.381	1.380	51
	HG3	14669	-33.86	31.7	2.357	1.487	49
	ME	12398	-24.86	10.2000	1.788	1.449	89
	C	19775	2.200	185.212	176.196	3.143	7
	CA	27791	25.7283	85.327	56.113	2.265	64
	CB	25541	0.2	332.173	32.952	3.016	58
	CE	11358	0.000	317.645	17.228	3.936	56
	CG	13602	2.30	332.686	32.062	3.060	33
	N	28995	0.000	428.252	120.148	4.897	50
PHE	H	53668	-0.5	12.357	8.331	0.727	352
	HA	33111	1.33	59.70	4.612	0.706	31
	HB2	30773	-0.463	7.979	2.993	0.378	413
	HB3	29972	-0.212	12.72	2.935	0.396	439
	HD1	25435	0.603	12.154	7.038	0.392	256
	HD2	21617	0.603	12.154	7.040	0.403	212
	HE1	22116	-2.838	14.080	7.064	0.442	186
	HE2	19013	0	12.9	7.063	0.436	171
	HZ	15379	-7.14	43.623	6.994	0.697	124
	C	33795	0.088	184.929	175.443	2.866	14
	CA	46839	4.917	363.618	58.097	3.592	46
	CB	43715	2.161	341.700	39.901	3.350	58
	CD1	15432	7.160	148.7280	131.207	5.699	73
	CD2	10865	7.160	140.309	131.346	4.338	37
	CE1	13378	0.000	149.609	130.347	5.676	64
	CE2	9411	7.307	149.609	130.543	4.052	37
	CG	539	7.229	156.3	137.450	10.348	4
	CZ	9929	7.351	165.611	129.035	4.114	37
	N	51254	0.067	422.843	120.402	5.407	76
PRO	H	19	7.264	9.521	8.511	0.546
	H2	5	8.070	9.673	8.756	0.710
	HA	38152	0.636	135.80	4.385	0.758	52
	HB2	35054	-1.501	5.63	2.069	0.368	623
	HB3	33993	-3.48	6.10	1.997	0.380	628
	HD2	32167	-6.56	7.67	3.637	0.438	478
	HD3	31017	-6.56	8.353	3.603	0.458	575
	HG2	31283	-2.35	7.395	1.918	0.339	758
	HG3	29038	-1.520	4.92	1.895	0.348	702
	C	37421	0	183.517	176.670	3.927	31
	CA	52377	0	363.087	63.321	3.308	100
	CB	48454	0	333.586	31.872	2.873	82
	CD	28813	1.155	350.648	50.339	3.020	66
	CG	28856	2.436	327.402	27.269	3.600	48
	N	3339	0.140	430	134.815	20.063	39
SER	H	94301	-15.3	116.95709	8.276	0.685	418
	H1	1	7.930	7.930	7.930
	HA	58023	1.277	58.739	4.474	0.464	553
	HB2	52761	0.61	9.182	3.867	0.274	832
	HB3	48871	0.61	41.7	3.844	0.334	576
	HG	1190	0.13	11.36	5.346	1.240	24
	HN	1	7.91	7.91	7.910
	C	60775	0.000	197.1	174.551	3.519	46
	CA	84716	4.331	656.505	58.667	3.341	63
	CB	78176	-939.2800	365.087	63.721	4.465	190
	N	90649	0.000	416.964	116.320	4.059	328
THR	H	82319	0.0000	21.7	8.226	0.630	696
	H1	1	8.810	8.810	8.810
	HA	50596	0.87	7.468	4.448	0.475	302
	HB	46043	0.087	71.587	4.169	0.625	100
	HG1	1915	-1.783	11.01	5.131	1.455	27
	MG	46378	-12.1	16.3	1.138	0.271	610
	C	51822	4.780	185.918	174.457	3.803	39
	CA	72222	0.971	92.659	62.195	2.707	138
	CB	66572	-939.2800	629.206	69.607	5.081	171
	CG2	40243	7.177	175.6	21.583	1.829	130
	N	79185	0.0	402	115.380	6.029	90
TRP	H	17874	3.421	17.315	8.264	0.783	113
	HA	11212	2.043	172.573	4.688	1.673	2
	HB2	10550	0.42	5.35	3.175	0.346	160
	HB3	10244	-0.3776	7.972	3.115	0.372	154
	HD1	9292	1.880	10.75	7.127	0.361	146
	HE1	10701	-1.279	131.711	10.099	1.357	53
	HE3	8036	1.85	12.233	7.301	0.515	152
	HH2	7980	2.84	10.900	6.959	0.444	132
	HZ2	8680	2.63	10.81	7.270	0.401	126
	HZ3	7752	0.76	8.898	6.857	0.459	99
	C	10702	2.500	184.30	176.040	5.454	12
	CA	14976	2.966	362.099	57.731	4.428	16
	CB	13785	1.6	328.795	30.029	4.382	23
	CD1	5960	30.236	183.141	126.336	4.268	26
	CD2	206	1.578	155.174	126.765	14.478	3
	CE2	279	56.4176	177.710	137.361	9.268	6
	CE3	4973	-10.872	174.807	120.203	5.286	30
	CG	292	4.174	129.700	110.294	8.612	4
	CH2	5262	-6.333	160.818	123.556	4.835	25
	CZ2	5679	7.107	159.041	114.082	4.387	33
	CZ3	5002	-8.702	161.540	121.173	4.508	23
	N	16527	6.712	423.160	121.633	5.837	20
	NE1	8809	0.53	435.960	129.280	5.868	38
TYR	H	46950	0.02	117.5936	8.282	0.887	75
	H1	1	8.359	8.359	8.359
	HA	28469	0.442	7.160	4.606	0.558	236
	HB2	26372	-21.230	23.28	2.898	0.454	228
	HB3	25697	-21.230	23.28	2.835	0.471	273
	HD1	22532	0.190	10.5	6.920	0.365	270
	HD2	19348	0.5522	10.499	6.918	0.368	234
	HE1	21335	0.08	11.8	6.691	0.301	194
	HE2	18437	0.43	11.7	6.692	0.311	173
	HH	516	-0.788	31	9.009	2.102	5
	C	28461	2.200	184.78	175.410	4.264	23
	CA	39437	2.200	357.681	58.130	2.968	30
	CB	36354	18.38	338.686	39.267	2.950	61
	CD1	13893	19.40	141.572	132.393	5.165	72
	CD2	9547	3.492	139.7599743	132.405	5.095	56
	CE1	13653	40.435	182.764	117.743	3.964	114
	CE2	9443	34.1221	154.10	117.792	3.164	74
	CG	494	7.113	175.115	128.252	12.222	7
	CZ	363	6.839	165.718	155.991	12.260	3
	N	44318	0.2	818	120.645	10.645	40
VAL	H	99502	-0.41	15.050	8.266	0.672	463
	H1	2	8.025	8.194	8.110	0.120
	HA	61399	-2.83	54.971	4.165	0.619	141
	HB	56909	-27.480	31.75	1.980	0.435	451
	MG1	58640	-27.2	24.20	0.818	0.331	657
	MG2	57649	-27.2	56.56	0.802	0.414	342
	C	63852	1	205.699	175.643	3.208	36
	CA	87641	-17.046	362.057	62.487	3.124	119
	CB	80856	15.597025	331.747	32.688	2.191	166
	CG1	52650	-7.4	321.185	21.521	2.305	100
	CG2	50852	-5.648	320.420	21.340	2.405	98
	N	96619	0.2	529	121.148	6.857	109