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	113239	-0.914	131.25	8.196	0.877	150
	H1	1	7.401	7.401	7.401
	HA	68539	-2.52	17.870	4.243	0.438	1343
	HN	1	8.32	8.32	8.320
	MB	66833	-14.040	11.3746	1.352	0.278	1190
	C	73188	0.037	187.2	177.743	3.438	48
	CA	99393	17.007	354.698	53.132	2.601	98
	CB	94549	-40.993	318.868	19.023	2.825	222
	N	109115	0.049	766	123.397	5.591	126
ARG	H	74176	0.011	178	8.239	0.968	56
	HA	46578	1.212	12.57	4.287	0.464	573
	HB2	41981	-4.78	27.530	1.789	0.306	552
	HB3	39590	-2.880	27.530	1.760	0.317	578
	HD2	36698	-6.44	5.0	3.107	0.263	724
	HD3	33399	-0.690	44.092	3.094	0.360	399
	HE	12346	1.150	116.661	7.439	2.676	7
	HG2	37342	-1.45	4.2	1.558	0.283	683
	HG3	34596	-1.298	5.47	1.540	0.297	723
	HH11	1022	4.41	11.7	6.930	0.566	24
	HH12	782	4.41	10.727	6.878	0.532	18
	HH21	877	1.233	11.352	6.824	0.641	19
	HH22	723	1.233	60.1410	6.902	2.081	1
	C	45422	0.174	184.96	176.424	3.123	14
	CA	63792	8.369	358.124	56.755	3.131	66
	CB	59089	15.013	329.120	30.664	2.370	179
	CD	32169	18.9350	342.642	43.196	2.754	48
	CG	31988	0.000	328.290	27.243	2.866	58
	CZ	913	43.199	184.497	160.091	6.873	11
	N	69753	0.125	433.808	120.874	4.509	123
	NE	7631	-23.150	166.804	89.851	13.450	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	60942	0.008	118.641	8.352	1.860	31
	HA	38240	0.896	7.110	4.660	0.360	521
	HB2	35684	-0.827	8.883	2.798	0.333	579
	HB3	34422	-0.948	5.958	2.742	0.356	576
	HD21	26431	0.687	111.320	7.334	0.817	53
	HD22	26093	0.905	111.320	7.145	0.833	118
	C	38236	0.114	187.551	175.207	3.303	21
	CA	53524	2.200	354.022	53.516	3.224	38
	CB	50519	1.9620	342.798	38.704	3.276	55
	CG	3111	0.000	185.503	176.252	8.579	12
	N	57912	0.041	426.314	118.943	5.187	47
	ND2	22885	21.038	1114.29	112.874	11.939	12
ASP	H	87690	-0.35	25.876	8.295	0.579	748
	H1	1	8.133	8.133	8.133
	HA	53577	-3.75	8.66	4.582	0.323	788
	HB2	49675	-5.2	37.4	2.715	0.486	110
	HB3	47576	-1.46	37.2	2.666	0.493	129
	HD2	23	0.968	12.30	5.509	3.163
	C	55916	0.106	184.14	176.354	3.345	28
	CA	76849	5.630	354.531	54.664	2.576	88
	CB	72510	9.7	341.273	40.879	2.387	193
	CG	1212	2.637	188.215	177.358	17.470	15
	N	84786	0.061	428.093	120.730	4.443	136
CYS	H	29018	3.723	12.660	8.372	0.693	168
	HA	22147	-9.858	43.5	4.677	0.932	75
	HB2	21237	-39.82	363.580	3.112	5.964	46
	HB3	20672	-44.2	363.580	3.038	5.410	43
	HG	307	-1.830	10.700	2.056	1.388	6
	C	14075	1.000	187.591	174.722	3.253	10
	CA	21346	30.6688	90.374	57.967	3.491	24
	CB	20263	17.850	111.008	33.453	6.662	21
	N	23670	-147	628	120.337	16.384	82
GLN	H	64836	0.000	122.824	8.243	1.801	24
	HA	38700	0.000	29.948	4.264	0.466	403
	HB2	34885	-1.514	10.461	2.042	0.273	471
	HB3	33107	-1.4980	20.9	2.014	0.318	397
	HE21	24292	-3.41	23.893	7.220	0.498	205
	HE22	23999	0.000	113.695	7.038	0.843	41
	HG2	32394	-1.76	33.5990	2.313	0.327	391
	HG3	29982	-1.395	34.946	2.294	0.351	437
	C	41254	0.069	1755.998	176.305	8.474	16
	CA	56674	1.733	356.830	56.518	2.506	55
	CB	52652	1.843	328.286	29.172	2.370	176
	CD	3101	6.789	190.624	179.335	7.026	7
	CG	29358	0.000	333.032	33.798	2.416	48
	N	62655	0.000	418.059	120.043	4.321	123
	NE2	21873	33.9	412.160	111.878	2.888	75
GLU	H	113361	0.008	123.2260	8.330	0.784	291
	HA	69817	0.433	8.02	4.239	0.409	1286
	HB2	62782	-1.470	4.82	2.017	0.220	898
	HB3	58935	-1.633	8.095	1.995	0.226	846
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	57606	-0.674	4.69	2.264	0.219	955
	HG3	53550	-0.10	4.69	2.246	0.221	867
	C	73247	0.074	184.71	176.832	3.945	46
	CA	99086	1.056	360.826	57.304	3.057	87
	CB	92301	9.08	330.834	29.987	2.902	149
	CD	1293	0.000	198.609	181.306	13.185	8
	CG	52470	6.16	337.230	36.135	2.785	71
	N	109908	0.044	422.043	120.766	4.423	154
GLY	H	112370	-15.3	121.881	8.327	0.850	521
	H1	2	8.373	8.677	8.525	0.215
	HA2	67231	-3.4	8.64	3.958	0.396	1107
	HA3	63695	-3.936	43.9930	3.890	0.429	917
	C	70956	1.000	189.533	173.831	3.454	68
	CA	98838	2.200	344.994	45.360	2.051	196
	N	107232	0.2	791	109.638	6.378	308
HIS	H	31139	-0.3	177.991	8.258	1.200	45
	H2	1	7.839	7.839	7.839
	HA	20115	0.676	11.38	4.613	0.549	250
	HB2	18663	-2.168	45.897	3.151	1.054	134
	HB3	18079	-6.2	38.5	3.094	1.027	141
	HD1	1163	-15	86.5	9.775	8.061	29
	HD2	12945	-25.85	67.8	7.133	3.096	90
	HE1	10095	-26.6	134.811	7.841	2.420	90
	HE2	442	-15	76.4	10.975	7.438	11
	C	19153	1.000	184.204	175.129	4.427	16
	CA	27465	11.40	355.084	56.482	3.207	68
	CB	25637	13.496	329.046	30.319	2.989	84
	CD2	8546	7.19	159.946	119.928	5.425	59
	CE1	6669	8.198	166.282	137.262	5.432	62
	CG	349	18.669	139.83	131.569	8.521	3
	N	29479	0.2	427.146	119.694	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	76192	0.008	11.871	8.256	0.686	408
	HA	47053	-9.0	173.538	4.164	0.961	7
	HB	44039	-2.442	38.700	1.784	0.386	258
	HG12	39747	-10.1	5.56	1.263	0.445	315
	HG13	38205	-10.1	9.71	1.196	0.476	288
	MD	45953	-4.15	13.891	0.674	0.323	742
	MG	42193	-3.919	6.23	0.770	0.301	682
	C	48495	0	187.551	175.834	4.212	32
	CA	67047	20.877	362.184	61.627	3.229	69
	CB	62025	-34.477	339.785	38.554	2.760	120
	CD1	42177	1.358	314.600	13.478	3.245	118
	CG1	36283	8.0	329.288	27.759	3.169	178
	CG2	38687	0.79	317.615	17.591	3.086	133
	N	73692	0.0000	531	121.433	5.813	146
LEU	H	127309	-0.3	119.596	8.218	0.717	432
	H1	6	7.340	8.484	8.204	0.446
	HA	77687	0.000	119.411	4.300	0.621	95
	HB2	70930	-1.825	8.02	1.606	0.358	919
	HB3	67909	-1.825	1579.0	1.548	6.065	1
	HG	62066	-2.08	26.85	1.503	0.364	671
	HN	2	7.62	7.76	7.690	0.099
	MD1	73986	-3.42	30.176	0.747	0.337	1084
	MD2	71281	-3.42	24.59	0.729	0.389	663
	C	81130	0.071	189.78	177.012	3.410	32
	CA	111690	1.056	158.320	55.643	2.202	224
	CB	103486	7.439	93.180	42.208	1.986	727
	CD1	65438	0.438	120.700	24.644	1.994	249
	CD2	62508	0.280	116.300	24.127	2.064	189
	CG	55386	0.000	75.280	26.802	1.455	430
	N	122561	0.044	627	121.961	7.196	126
LYS	H	107121	0.002	123.7085	8.189	1.479	35
	HA	67405	-0.118	33.308	4.256	0.463	637
	HB2	60295	-1.416	10.94	1.775	0.263	982
	HB3	56654	-3.038	9.43	1.748	0.278	944
	HD2	48094	-1.6800	119.620	1.607	0.609	41
	HD3	43176	-2.02	29.047	1.597	0.269	636
	HE2	47354	-0.493	42.02	2.911	0.279	572
	HE3	41740	-0.046	7.344	2.904	0.220	890
	HG2	54256	-1.654	8.362	1.363	0.270	1088
	HG3	50072	-1.83	5.575	1.350	0.279	1039
	HZ	5	7.666	7.989	7.826	0.158
	C	65385	0.112	996.253	176.623	5.185	39
	CA	90861	1.155	359.222	56.935	3.011	81
	CB	84455	-26.686	332.988	32.762	2.722	128
	CD	44432	0.0000	329.284	28.991	2.501	88
	CE	42742	-0.130	342.334	41.920	2.872	77
	CG	47344	0.0000	325.487	24.945	2.945	102
	N	101106	0.041	427.245	121.073	4.689	161
	NZ	376	1.950	177.2	50.833	33.349	4
	QZ	1868	-10.9	10.506	7.359	1.000	48
MET	H	29965	-0.21	177	8.258	1.145	24
	H1	1	8.237	8.237	8.237
	H2	1	8.279	8.279	8.279
	HA	19152	-0.93	313.565	4.409	2.284	1
	HB2	17077	-27.312	33.750	2.025	0.556	97
	HB3	16033	-27.312	12.94	1.997	0.502	123
	HG2	15614	-33.86	32.7	2.381	1.377	51
	HG3	14739	-33.86	31.7	2.357	1.483	49
	ME	12454	-24.86	10.2000	1.788	1.446	89
	C	19917	2.200	185.212	176.194	3.138	7
	CA	27984	25.7283	85.327	56.113	2.267	67
	CB	25726	0.2	332.173	32.956	3.014	59
	CE	11414	0.000	317.645	17.227	3.929	56
	CG	13683	2.30	332.686	32.061	3.054	33
	N	29263	0.000	428.252	120.156	4.886	50
PHE	H	54245	-0.5	12.357	8.331	0.726	362
	HA	33301	1.33	59.70	4.612	0.706	31
	HB2	30956	-0.463	7.979	2.993	0.378	415
	HB3	30149	-0.212	12.72	2.935	0.396	441
	HD1	25549	0.603	12.154	7.038	0.392	257
	HD2	21718	0.603	12.154	7.040	0.403	213
	HE1	22211	-2.838	14.080	7.063	0.441	186
	HE2	19101	0	12.9	7.063	0.435	174
	HZ	15452	-7.14	43.623	6.994	0.695	124
	C	34069	0.088	184.929	175.443	2.860	15
	CA	47206	4.917	363.618	58.094	3.587	46
	CB	44069	2.161	341.700	39.901	3.341	58
	CD1	15519	7.160	148.7280	131.207	5.684	73
	CD2	10903	7.160	140.309	131.348	4.331	37
	CE1	13449	0.000	149.609	130.347	5.662	65
	CE2	9446	7.307	149.609	130.544	4.045	38
	CG	554	0.0000	156.3	137.196	11.771	5
	CZ	9982	7.351	165.611	129.034	4.104	37
	N	51845	0.067	422.843	120.398	5.395	76
PRO	H	19	7.264	9.521	8.511	0.546
	H2	5	8.070	9.673	8.756	0.710
	HA	38360	0.636	135.80	4.385	0.756	53
	HB2	35243	-1.501	5.63	2.069	0.368	625
	HB3	34182	-3.48	6.10	1.997	0.379	629
	HD2	32335	-6.56	7.67	3.637	0.438	480
	HD3	31185	-6.56	8.353	3.604	0.457	583
	HG2	31438	-2.35	7.395	1.917	0.339	760
	HG3	29194	-1.520	4.92	1.896	0.348	704
	C	37802	0	183.517	176.669	3.910	31
	CA	52834	0	363.087	63.319	3.296	102
	CB	48889	0	333.586	31.871	2.862	82
	CD	28997	1.155	350.648	50.338	3.012	66
	CG	29036	2.436	327.402	27.267	3.590	48
	N	3481	0.140	430	134.904	19.661	39
SER	H	95574	-15.3	116.95709	8.276	0.684	424
	H1	1	7.930	7.930	7.930
	HA	58336	1.277	58.739	4.474	0.464	556
	HB2	53065	0.61	9.182	3.867	0.274	835
	HB3	49162	0.61	41.7	3.844	0.333	583
	HG	1193	0.13	11.36	5.349	1.241	24
	HN	1	7.91	7.91	7.910
	C	61469	0.000	197.1	174.548	3.504	46
	CA	85584	4.331	656.505	58.664	3.330	63
	CB	79010	-939.2800	365.087	63.723	4.444	191
	N	91954	0.000	416.964	116.322	4.054	333
THR	H	83161	0.0000	21.7	8.226	0.629	700
	H1	1	8.810	8.810	8.810
	HA	50875	0.87	7.468	4.449	0.475	302
	HB	46308	0.087	71.587	4.168	0.623	101
	HG1	1930	-1.783	11.01	5.126	1.460	26
	MG	46671	-12.1	16.3	1.138	0.271	612
	C	52319	4.780	185.918	174.452	3.789	39
	CA	72845	0.971	92.659	62.192	2.704	139
	CB	67174	-939.2800	629.206	69.609	5.060	171
	CG2	40559	7.177	175.6	21.581	1.826	132
	N	80048	0.0	402	115.389	6.014	90
TRP	H	18052	3.421	17.315	8.262	0.783	114
	HA	11267	2.043	172.573	4.688	1.669	2
	HB2	10602	0.42	5.35	3.175	0.346	161
	HB3	10295	-0.3776	7.972	3.115	0.372	155
	HD1	9317	1.880	10.75	7.127	0.361	146
	HE1	10751	-1.279	131.711	10.099	1.355	54
	HE3	8056	1.85	12.233	7.301	0.514	152
	HH2	8002	2.84	10.900	6.960	0.443	134
	HZ2	8701	2.63	10.81	7.270	0.401	126
	HZ3	7772	0.76	8.898	6.857	0.459	99
	C	10794	2.500	184.30	176.041	5.434	12
	CA	15088	2.966	362.099	57.726	4.417	16
	CB	13881	1.6	328.795	30.030	4.371	23
	CD1	5982	30.236	183.141	126.334	4.261	26
	CD2	212	1.578	155.174	126.836	14.281	3
	CE2	284	56.4176	177.710	137.379	9.187	6
	CE3	4988	-10.872	174.807	120.201	5.279	30
	CG	298	4.174	129.700	110.326	8.531	4
	CH2	5279	-6.333	160.818	123.555	4.827	25
	CZ2	5695	7.107	159.041	114.081	4.382	33
	CZ3	5015	-8.702	161.540	121.171	4.503	23
	N	16700	6.712	423.160	121.632	5.818	20
	NE1	8859	0.53	435.960	129.281	5.853	38
TYR	H	47403	0.02	117.5936	8.281	0.886	76
	H1	1	8.359	8.359	8.359
	HA	28663	0.442	7.160	4.606	0.558	237
	HB2	26553	-21.230	23.28	2.897	0.454	228
	HB3	25862	-21.230	23.28	2.835	0.471	274
	HD1	22652	0.190	10.5	6.920	0.365	272
	HD2	19456	0.5522	10.499	6.918	0.368	237
	HE1	21447	0.08	11.8	6.690	0.301	196
	HE2	18541	0.43	11.7	6.692	0.311	174
	HH	520	-0.788	31	9.008	2.095	5
	C	28752	2.200	184.78	175.407	4.248	23
	CA	39793	2.200	357.681	58.127	2.964	31
	CB	36691	18.38	338.686	39.265	2.944	62
	CD1	13982	19.40	141.572	132.391	5.150	72
	CD2	9582	3.492	139.7599743	132.407	5.086	56
	CE1	13739	40.435	182.764	117.741	3.953	114
	CE2	9482	34.1221	154.10	117.793	3.158	74
	CG	506	7.113	175.115	128.314	12.089	7
	CZ	372	6.839	165.718	156.019	12.112	3
	N	44787	0.2	818	120.644	10.598	40
VAL	H	100434	-0.41	15.050	8.266	0.671	472
	H1	2	8.025	8.194	8.110	0.120
	HA	61758	-2.83	54.971	4.165	0.619	141
	HB	57259	-27.480	31.75	1.980	0.434	454
	MG1	59085	-27.2	24.20	0.817	0.331	659
	MG2	58088	-27.2	56.56	0.801	0.413	345
	C	64487	1	205.699	175.640	3.198	36
	CA	88429	-17.046	362.057	62.483	3.121	120
	CB	81613	15.597025	331.747	32.689	2.187	168
	CG1	53146	-7.4	321.185	21.519	2.300	100
	CG2	51329	-5.648	320.420	21.339	2.398	99
	N	97600	0.2	529	121.158	6.837	110