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	113641	-0.914	131.25	8.196	0.876	151
	H1	1	7.401	7.401	7.401
	HA	68697	-2.52	17.870	4.243	0.438	1345
	HN	1	8.32	8.32	8.320
	MB	66989	-14.040	11.3746	1.352	0.277	1208
	C	73394	0.037	187.2	177.744	3.436	48
	CA	99613	17.007	354.698	53.133	2.600	99
	CB	94771	-40.993	318.868	19.023	2.822	222
	N	109516	0.049	766	123.397	5.583	128
ARG	H	74298	0.011	178	8.239	0.968	56
	HA	46621	1.212	12.57	4.287	0.464	573
	HB2	42019	-4.78	27.530	1.789	0.306	552
	HB3	39628	-2.880	27.530	1.760	0.317	578
	HD2	36729	-6.44	5.0	3.107	0.263	725
	HD3	33428	-0.690	44.092	3.094	0.360	399
	HE	12361	1.150	116.661	7.439	2.674	7
	HG2	37374	-1.45	4.2	1.558	0.283	684
	HG3	34626	-1.298	5.47	1.540	0.297	723
	HH11	1022	4.41	11.7	6.930	0.566	24
	HH12	784	4.41	10.727	6.877	0.532	18
	HH21	878	1.233	11.352	6.824	0.641	19
	HH22	724	1.233	60.1410	6.901	2.079	1
	C	45482	0.174	184.96	176.425	3.122	14
	CA	63868	8.369	358.124	56.755	3.131	66
	CB	59165	15.013	329.120	30.665	2.369	179
	CD	32192	18.9350	342.642	43.196	2.753	48
	CG	32016	0.000	328.290	27.243	2.864	58
	CZ	913	43.199	184.497	160.091	6.873	11
	N	69870	0.125	433.808	120.872	4.508	123
	NE	7644	-23.150	166.804	89.855	13.453	62
	NH1	310	6.450	124.7890	78.774	13.464	6
	NH2	267	66.2	128.470	78.663	13.910	7
ASN	H	61180	0.008	118.641	8.352	1.857	31
	HA	38292	0.896	7.110	4.660	0.360	522
	HB2	35737	-0.827	8.883	2.798	0.333	579
	HB3	34474	-0.948	5.958	2.742	0.356	576
	HD21	26467	0.687	111.320	7.334	0.817	53
	HD22	26129	0.905	111.320	7.145	0.833	118
	C	38350	0.114	187.551	175.207	3.299	21
	CA	53640	2.200	354.022	53.518	3.222	38
	CB	50632	1.9620	342.798	38.704	3.274	55
	CG	3111	0.000	185.503	176.252	8.579	12
	N	58149	0.041	426.314	118.944	5.180	47
	ND2	22920	21.038	1114.29	112.874	11.930	12
ASP	H	87879	-0.35	25.876	8.295	0.578	760
	H1	1	8.133	8.133	8.133
	HA	53644	-3.75	8.66	4.582	0.323	789
	HB2	49742	-5.2	37.4	2.715	0.486	110
	HB3	47641	-1.46	37.2	2.666	0.493	129
	HD2	23	0.968	12.30	5.509	3.163
	C	56020	0.106	184.14	176.355	3.342	28
	CA	76969	5.630	354.531	54.664	2.575	88
	CB	72628	9.7	341.273	40.879	2.386	193
	CG	1212	2.637	188.215	177.358	17.470	15
	N	84975	0.061	428.093	120.730	4.442	136
CYS	H	29052	3.723	12.660	8.371	0.693	168
	HA	22155	-9.858	43.5	4.677	0.932	75
	HB2	21245	-39.82	363.580	3.112	5.962	46
	HB3	20680	-44.2	363.580	3.038	5.409	43
	HG	307	-1.830	10.700	2.056	1.388	6
	C	14105	1.000	187.591	174.725	3.251	10
	CA	21378	30.6688	90.374	57.967	3.493	24
	CB	20294	17.850	111.008	33.453	6.664	21
	N	23702	-147	628	120.335	16.374	82
GLN	H	65054	0.000	122.824	8.242	1.799	24
	HA	38748	0.000	29.948	4.265	0.466	403
	HB2	34931	-1.514	10.461	2.042	0.273	471
	HB3	33148	-1.4980	20.9	2.014	0.317	399
	HE21	24322	-3.41	23.893	7.220	0.497	206
	HE22	24029	0.000	113.695	7.038	0.843	41
	HG2	32441	-1.76	33.5990	2.313	0.327	391
	HG3	30024	-1.395	34.946	2.294	0.351	439
	C	41376	0.069	1755.998	176.305	8.462	16
	CA	56805	1.733	356.830	56.518	2.505	55
	CB	52782	1.843	328.286	29.172	2.369	176
	CD	3101	6.789	190.624	179.335	7.026	7
	CG	29389	0.000	333.032	33.798	2.415	48
	N	62872	0.000	418.059	120.043	4.317	124
	NE2	21902	33.9	412.160	111.878	2.886	75
GLU	H	113587	0.008	123.2260	8.330	0.784	291
	HA	69956	0.433	8.02	4.239	0.409	1287
	HB2	62918	-1.470	4.82	2.017	0.220	898
	HB3	59067	-1.633	8.095	1.995	0.226	846
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	57734	-0.674	4.69	2.264	0.219	955
	HG3	53671	-0.10	4.69	2.246	0.221	867
	C	73418	0.074	184.71	176.833	3.942	46
	CA	99270	1.056	360.826	57.304	3.055	87
	CB	92485	9.08	330.834	29.987	2.900	149
	CD	1293	0.000	198.609	181.306	13.185	8
	CG	52557	6.16	337.230	36.135	2.783	71
	N	110134	0.044	422.043	120.766	4.421	155
GLY	H	112713	-15.3	121.881	8.327	0.849	523
	H1	2	8.373	8.677	8.525	0.215
	HA2	67342	-3.4	8.64	3.958	0.396	1107
	HA3	63803	-3.936	43.9930	3.890	0.429	917
	C	71171	1.000	189.533	173.834	3.451	68
	CA	99058	2.200	344.994	45.361	2.050	196
	N	107573	0.2	791	109.637	6.370	309
HIS	H	31183	-0.3	177.991	8.258	1.200	45
	H2	1	7.839	7.839	7.839
	HA	20133	0.676	11.38	4.614	0.549	249
	HB2	18680	-2.168	45.897	3.151	1.054	134
	HB3	18094	-6.2	38.5	3.094	1.027	141
	HD1	1163	-15	86.5	9.775	8.061	29
	HD2	12954	-25.85	67.8	7.133	3.095	90
	HE1	10104	-26.6	134.811	7.841	2.419	90
	HE2	442	-15	76.4	10.975	7.438	11
	C	19167	1.000	184.204	175.129	4.425	16
	CA	27487	11.40	355.084	56.482	3.206	68
	CB	25659	13.496	329.046	30.319	2.989	84
	CD2	8555	7.19	159.946	119.927	5.422	59
	CE1	6678	8.198	166.282	137.263	5.429	62
	CG	349	18.669	139.83	131.569	8.521	3
	N	29523	0.2	427.146	119.695	5.015	49
	ND1	934	31.026	261.013	189.377	34.596	2
	NE2	828	17.0	257.572	180.677	19.894	21
ILE	H	76344	0.008	11.871	8.256	0.686	408
	HA	47121	-9.0	173.538	4.164	0.961	7
	HB	44107	-2.442	38.700	1.784	0.386	258
	HG12	39809	-10.1	5.56	1.263	0.445	315
	HG13	38269	-10.1	9.71	1.196	0.476	288
	MD	46017	-4.15	13.891	0.674	0.323	743
	MG	42259	-3.919	6.23	0.770	0.301	683
	C	48593	0	187.551	175.834	4.208	32
	CA	67147	20.877	362.184	61.628	3.228	69
	CB	62125	-34.477	339.785	38.554	2.759	120
	CD1	42227	1.358	314.600	13.478	3.244	118
	CG1	36331	8.0	329.288	27.759	3.167	178
	CG2	38737	0.79	317.615	17.591	3.085	133
	N	73837	0.0000	531	121.433	5.811	146
LEU	H	127552	-0.3	119.596	8.217	0.717	432
	H1	6	7.340	8.484	8.204	0.446
	HA	77786	0.000	119.411	4.300	0.621	95
	HB2	71028	-1.825	8.02	1.606	0.358	921
	HB3	68006	-1.825	1579.0	1.548	6.061	1
	HG	62154	-2.08	26.85	1.503	0.364	671
	HN	2	7.62	7.76	7.690	0.099
	MD1	74081	-3.42	30.176	0.747	0.337	1087
	MD2	71366	-3.42	24.59	0.729	0.389	663
	C	81277	0.071	189.78	177.012	3.408	32
	CA	111858	1.056	158.320	55.644	2.201	224
	CB	103655	7.439	93.180	42.209	1.986	732
	CD1	65517	0.438	120.700	24.644	1.993	249
	CD2	62581	0.280	116.300	24.128	2.063	189
	CG	55460	0.000	75.280	26.802	1.454	431
	N	122802	0.044	627	121.960	7.190	126
LYS	H	107275	0.002	123.7085	8.189	1.478	35
	HA	67510	-0.118	33.308	4.256	0.463	638
	HB2	60398	-1.416	10.94	1.775	0.263	983
	HB3	56752	-3.038	9.43	1.748	0.278	944
	HD2	48168	-1.6800	119.620	1.607	0.608	41
	HD3	43248	-2.02	29.047	1.597	0.269	636
	HE2	47414	-0.493	42.02	2.911	0.279	572
	HE3	41796	-0.046	7.344	2.904	0.220	890
	HG2	54348	-1.654	8.362	1.364	0.270	1088
	HG3	50153	-1.83	5.575	1.350	0.278	1047
	HZ	5	7.666	7.989	7.826	0.158
	C	65494	0.112	996.253	176.623	5.181	39
	CA	90975	1.155	359.222	56.935	3.010	81
	CB	84571	-26.686	332.988	32.762	2.721	128
	CD	44483	0.0000	329.284	28.991	2.500	88
	CE	42789	-0.130	342.334	41.920	2.870	77
	CG	47407	0.0000	325.487	24.945	2.943	102
	N	101257	0.041	427.245	121.074	4.688	164
	NZ	377	1.950	177.2	51.016	33.493	4
	QZ	1871	-10.9	10.506	7.359	0.999	48
MET	H	30040	-0.21	177	8.258	1.144	24
	H1	1	8.237	8.237	8.237
	H2	1	8.279	8.279	8.279
	HA	19169	-0.93	313.565	4.409	2.284	1
	HB2	17094	-27.312	33.750	2.025	0.556	97
	HB3	16049	-27.312	12.94	1.997	0.502	123
	HG2	15631	-33.86	32.7	2.381	1.377	51
	HG3	14755	-33.86	31.7	2.357	1.483	49
	ME	12460	-24.86	10.2000	1.788	1.446	89
	C	19953	2.200	185.212	176.195	3.136	7
	CA	28021	25.7283	85.327	56.113	2.267	67
	CB	25763	0.2	332.173	32.954	3.012	60
	CE	11418	0.000	317.645	17.227	3.928	56
	CG	13696	2.30	332.686	32.060	3.053	33
	N	29337	0.000	428.252	120.153	4.883	50
PHE	H	54394	-0.5	12.357	8.330	0.726	361
	HA	33356	1.33	59.70	4.612	0.705	31
	HB2	31011	-0.463	7.979	2.993	0.377	419
	HB3	30205	-0.212	12.72	2.935	0.396	441
	HD1	25564	0.603	12.154	7.038	0.392	257
	HD2	21733	0.603	12.154	7.040	0.403	213
	HE1	22225	-2.838	14.080	7.063	0.441	186
	HE2	19115	0	12.9	7.063	0.435	174
	HZ	15460	-7.14	43.623	6.994	0.695	124
	C	34156	0.088	184.929	175.444	2.858	15
	CA	47310	4.917	363.618	58.094	3.585	46
	CB	44175	2.161	341.700	39.899	3.338	58
	CD1	15530	7.160	148.7280	131.208	5.682	73
	CD2	10911	7.160	140.309	131.349	4.329	37
	CE1	13458	0.000	149.609	130.347	5.660	65
	CE2	9454	7.307	149.609	130.544	4.043	38
	CG	554	0.0000	156.3	137.196	11.771	5
	CZ	9990	7.351	165.611	129.034	4.103	37
	N	51994	0.067	422.843	120.400	5.391	76
PRO	H	20	7.264	9.521	8.513	0.531
	H2	5	8.070	9.673	8.756	0.710
	HA	38392	0.636	135.80	4.385	0.756	53
	HB2	35275	-1.501	5.63	2.069	0.367	629
	HB3	34213	-3.48	6.10	1.997	0.379	629
	HD2	32367	-6.56	7.67	3.637	0.437	487
	HD3	31217	-6.56	8.353	3.604	0.457	583
	HG2	31470	-2.35	7.395	1.917	0.339	760
	HG3	29223	-1.520	4.92	1.896	0.348	704
	C	37923	0	183.517	176.668	3.905	31
	CA	52965	0	363.087	63.316	3.301	108
	CB	49014	0	333.586	31.871	2.858	82
	CD	29027	1.155	350.648	50.338	3.010	66
	CG	29067	2.436	327.402	27.267	3.588	48
	N	3483	0.140	430	134.896	19.658	39
SER	H	95834	-15.3	116.95709	8.276	0.683	427
	H1	1	7.930	7.930	7.930
	HA	58415	1.277	58.739	4.474	0.464	556
	HB2	53140	0.61	9.182	3.867	0.274	836
	HB3	49236	0.61	41.7	3.844	0.333	584
	HG	1193	0.13	11.36	5.349	1.241	24
	HN	1	7.91	7.91	7.910
	C	61608	0.000	197.1	174.549	3.501	46
	CA	85743	4.331	656.505	58.663	3.328	63
	CB	79162	-939.2800	365.087	63.723	4.440	191
	N	92213	0.000	416.964	116.321	4.051	333
THR	H	83407	0.0000	21.7	8.226	0.629	704
	H1	1	8.810	8.810	8.810
	HA	50987	0.87	7.468	4.449	0.475	302
	HB	46415	0.087	71.587	4.168	0.623	101
	HG1	1930	-1.783	11.01	5.126	1.460	26
	MG	46783	-12.1	16.3	1.138	0.271	612
	C	52488	4.780	185.918	174.454	3.784	39
	CA	73018	0.971	92.659	62.192	2.703	139
	CB	67341	-939.2800	629.206	69.609	5.055	171
	CG2	40640	7.177	175.6	21.582	1.825	132
	N	80292	0.0	402	115.388	6.010	90
TRP	H	18103	3.421	17.315	8.262	0.783	114
	HA	11278	2.043	172.573	4.688	1.668	2
	HB2	10613	0.42	5.35	3.175	0.346	161
	HB3	10306	-0.3776	7.972	3.115	0.372	155
	HD1	9324	1.880	10.75	7.127	0.360	149
	HE1	10768	-1.279	131.711	10.099	1.354	54
	HE3	8060	1.85	12.233	7.300	0.514	152
	HH2	8007	2.84	10.900	6.960	0.443	134
	HZ2	8708	2.63	10.81	7.270	0.401	126
	HZ3	7776	0.76	8.898	6.857	0.459	99
	C	10828	2.500	184.30	176.043	5.426	12
	CA	15126	2.966	362.099	57.727	4.413	16
	CB	13919	1.6	328.795	30.029	4.366	23
	CD1	5987	30.236	183.141	126.336	4.260	26
	CD2	212	1.578	155.174	126.836	14.281	3
	CE2	284	56.4176	177.710	137.379	9.187	6
	CE3	4992	-10.872	174.807	120.202	5.277	30
	CG	298	4.174	129.700	110.326	8.531	4
	CH2	5284	-6.333	160.818	123.556	4.825	25
	CZ2	5700	7.107	159.041	114.081	4.380	33
	CZ3	5019	-8.702	161.540	121.172	4.501	23
	N	16751	6.712	423.160	121.629	5.813	20
	NE1	8874	0.53	435.960	129.282	5.848	38
TYR	H	47493	0.02	117.5936	8.281	0.886	76
	H1	1	8.359	8.359	8.359
	HA	28693	0.442	7.160	4.606	0.558	237
	HB2	26583	-21.230	23.28	2.897	0.453	229
	HB3	25892	-21.230	23.28	2.835	0.471	274
	HD1	22663	0.190	10.5	6.920	0.365	272
	HD2	19467	0.5522	10.499	6.918	0.368	237
	HE1	21457	0.08	11.8	6.690	0.301	196
	HE2	18551	0.43	11.7	6.692	0.311	174
	HH	520	-0.788	31	9.008	2.095	5
	C	28826	2.200	184.78	175.407	4.244	23
	CA	39873	2.200	357.681	58.127	2.963	31
	CB	36771	18.38	338.686	39.263	2.941	62
	CD1	13991	19.40	141.572	132.392	5.149	72
	CD2	9587	3.492	139.7599743	132.407	5.084	56
	CE1	13748	40.435	182.764	117.741	3.952	114
	CE2	9485	34.1221	154.10	117.793	3.157	74
	CG	506	7.113	175.115	128.314	12.089	7
	CZ	372	6.839	165.718	156.019	12.112	3
	N	44876	0.2	818	120.642	10.589	40
VAL	H	100645	-0.41	15.050	8.266	0.671	472
	H1	2	8.025	8.194	8.110	0.120
	HA	61879	-2.83	54.971	4.165	0.619	141
	HB	57378	-27.480	31.75	1.980	0.434	454
	MG1	59205	-27.2	24.20	0.818	0.331	661
	MG2	58196	-27.2	56.56	0.802	0.413	345
	C	64642	1	205.699	175.640	3.196	36
	CA	88590	-17.046	362.057	62.483	3.120	120
	CB	81773	15.597025	331.747	32.690	2.186	168
	CG1	53222	-7.4	321.185	21.518	2.299	100
	CG2	51400	-5.648	320.420	21.339	2.397	99
	N	97809	0.2	529	121.158	6.832	110