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	113348	-0.914	131.25	8.196	0.877	150
	H1	1	7.401	7.401	7.401
	HA	68584	-2.52	17.870	4.243	0.439	1337
	HN	1	8.32	8.32	8.320
	MB	66878	-14.040	11.3746	1.352	0.277	1208
	C	73295	0.037	187.2	177.744	3.437	48
	CA	99502	17.007	354.698	53.132	2.600	99
	CB	94658	-40.993	318.868	19.023	2.823	222
	N	109224	0.049	766	123.396	5.589	127
ARG	H	74223	0.011	178	8.239	0.968	56
	HA	46593	1.212	12.57	4.287	0.464	573
	HB2	41992	-4.78	27.530	1.789	0.306	552
	HB3	39600	-2.880	27.530	1.759	0.317	576
	HD2	36703	-6.44	5.0	3.107	0.263	724
	HD3	33404	-0.690	44.092	3.094	0.360	399
	HE	12346	1.150	116.661	7.439	2.676	7
	HG2	37350	-1.45	4.2	1.558	0.283	684
	HG3	34602	-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	45468	0.174	184.96	176.425	3.122	14
	CA	63838	8.369	358.124	56.755	3.131	66
	CB	59135	15.013	329.120	30.665	2.370	179
	CD	32172	18.9350	342.642	43.196	2.754	48
	CG	31998	0.000	328.290	27.243	2.865	58
	CZ	913	43.199	184.497	160.091	6.873	11
	N	69797	0.125	433.808	120.872	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	61022	0.008	118.641	8.352	1.859	31
	HA	38259	0.896	7.110	4.660	0.360	522
	HB2	35704	-0.827	8.883	2.798	0.333	579
	HB3	34442	-0.948	5.958	2.742	0.356	576
	HD21	26451	0.687	111.320	7.334	0.817	53
	HD22	26113	0.905	111.320	7.145	0.833	118
	C	38320	0.114	187.551	175.207	3.300	21
	CA	53606	2.200	354.022	53.518	3.223	38
	CB	50597	1.9620	342.798	38.704	3.274	55
	CG	3111	0.000	185.503	176.252	8.579	12
	N	57991	0.041	426.314	118.943	5.185	47
	ND2	22904	21.038	1114.29	112.874	11.935	12
ASP	H	87764	-0.35	25.876	8.295	0.579	748
	H1	1	8.133	8.133	8.133
	HA	53603	-3.75	8.66	4.582	0.323	788
	HB2	49701	-5.2	37.4	2.715	0.486	110
	HB3	47601	-1.46	37.2	2.666	0.493	129
	HD2	23	0.968	12.30	5.509	3.163
	C	55985	0.106	184.14	176.355	3.343	28
	CA	76924	5.630	354.531	54.664	2.575	88
	CB	72581	9.7	341.273	40.879	2.386	193
	CG	1212	2.637	188.215	177.358	17.470	15
	N	84860	0.061	428.093	120.730	4.444	136
CYS	H	29044	3.723	12.660	8.371	0.693	168
	HA	22149	-9.858	43.5	4.677	0.932	75
	HB2	21239	-39.82	363.580	3.112	5.963	46
	HB3	20674	-44.2	363.580	3.038	5.410	43
	HG	307	-1.830	10.700	2.056	1.388	6
	C	14099	1.000	187.591	174.724	3.251	10
	CA	21370	30.6688	90.374	57.967	3.493	24
	CB	20286	17.850	111.008	33.455	6.664	21
	N	23694	-147	628	120.334	16.376	82
GLN	H	64936	0.000	122.824	8.242	1.800	24
	HA	38719	0.000	29.948	4.265	0.466	403
	HB2	34904	-1.514	10.461	2.042	0.273	471
	HB3	33121	-1.4980	20.9	2.014	0.317	399
	HE21	24311	-3.41	23.893	7.220	0.497	206
	HE22	24018	0.000	113.695	7.038	0.843	41
	HG2	32413	-1.76	33.5990	2.313	0.327	391
	HG3	30000	-1.395	34.946	2.294	0.351	439
	C	41348	0.069	1755.998	176.305	8.465	16
	CA	56772	1.733	356.830	56.518	2.505	55
	CB	52749	1.843	328.286	29.172	2.369	176
	CD	3101	6.789	190.624	179.335	7.026	7
	CG	29376	0.000	333.032	33.798	2.416	48
	N	62754	0.000	418.059	120.042	4.319	124
	NE2	21891	33.9	412.160	111.877	2.887	75
GLU	H	113417	0.008	123.2260	8.330	0.784	291
	HA	69839	0.433	8.02	4.239	0.409	1286
	HB2	62804	-1.470	4.82	2.017	0.220	898
	HB3	58954	-1.633	8.095	1.995	0.226	846
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	57626	-0.674	4.69	2.264	0.219	955
	HG3	53567	-0.10	4.69	2.246	0.221	867
	C	73302	0.074	184.71	176.832	3.944	46
	CA	99141	1.056	360.826	57.304	3.056	87
	CB	92356	9.08	330.834	29.987	2.902	149
	CD	1293	0.000	198.609	181.306	13.185	8
	CG	52492	6.16	337.230	36.135	2.785	71
	N	109964	0.044	422.043	120.766	4.423	154
GLY	H	112507	-15.3	121.881	8.327	0.849	523
	H1	2	8.373	8.677	8.525	0.215
	HA2	67261	-3.4	8.64	3.958	0.396	1107
	HA3	63725	-3.936	43.9930	3.890	0.429	917
	C	71091	1.000	189.533	173.832	3.451	68
	CA	98976	2.200	344.994	45.361	2.050	196
	N	107368	0.2	791	109.638	6.375	309
HIS	H	31147	-0.3	177.991	8.258	1.200	45
	H2	1	7.839	7.839	7.839
	HA	20119	0.676	11.38	4.613	0.549	250
	HB2	18667	-2.168	45.897	3.151	1.054	134
	HB3	18083	-6.2	38.5	3.094	1.027	141
	HD1	1163	-15	86.5	9.775	8.061	29
	HD2	12949	-25.85	67.8	7.133	3.095	90
	HE1	10099	-26.6	134.811	7.841	2.419	90
	HE2	442	-15	76.4	10.975	7.438	11
	C	19161	1.000	184.204	175.129	4.426	16
	CA	27473	11.40	355.084	56.482	3.207	68
	CB	25645	13.496	329.046	30.319	2.989	84
	CD2	8550	7.19	159.946	119.928	5.424	59
	CE1	6673	8.198	166.282	137.263	5.431	62
	CG	349	18.669	139.83	131.569	8.521	3
	N	29487	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	76241	0.008	11.871	8.256	0.686	408
	HA	47072	-9.0	173.538	4.164	0.961	7
	HB	44058	-2.442	38.700	1.784	0.386	258
	HG12	39764	-10.1	5.56	1.262	0.445	314
	HG13	38222	-10.1	9.71	1.196	0.476	288
	MD	45972	-4.15	13.891	0.674	0.323	742
	MG	42212	-3.919	6.23	0.770	0.301	682
	C	48541	0	187.551	175.834	4.210	32
	CA	67095	20.877	362.184	61.628	3.228	69
	CB	62071	-34.477	339.785	38.554	2.760	120
	CD1	42194	1.358	314.600	13.478	3.245	118
	CG1	36300	8.0	329.288	27.759	3.168	178
	CG2	38704	0.79	317.615	17.591	3.086	133
	N	73739	0.0000	531	121.432	5.813	146
LEU	H	127402	-0.3	119.596	8.217	0.717	431
	H1	6	7.340	8.484	8.204	0.446
	HA	77716	0.000	119.411	4.300	0.621	95
	HB2	70959	-1.825	8.02	1.606	0.358	920
	HB3	67938	-1.825	1579.0	1.548	6.064	1
	HG	62089	-2.08	26.85	1.503	0.364	671
	HN	2	7.62	7.76	7.690	0.099
	MD1	74015	-3.42	30.176	0.747	0.337	1086
	MD2	71310	-3.42	24.59	0.729	0.389	663
	C	81221	0.071	189.78	177.012	3.409	32
	CA	111782	1.056	158.320	55.644	2.201	224
	CB	103578	7.439	93.180	42.209	1.987	730
	CD1	65467	0.438	120.700	24.644	1.993	249
	CD2	62535	0.280	116.300	24.128	2.064	189
	CG	55412	0.000	75.280	26.802	1.454	431
	N	122654	0.044	627	121.960	7.194	126
LYS	H	107167	0.002	123.7085	8.189	1.478	35
	HA	67441	-0.118	33.308	4.256	0.463	637
	HB2	60330	-1.416	10.94	1.775	0.263	982
	HB3	56687	-3.038	9.43	1.748	0.278	944
	HD2	48111	-1.6800	119.620	1.607	0.609	41
	HD3	43193	-2.02	29.047	1.597	0.269	636
	HE2	47370	-0.493	42.02	2.911	0.279	572
	HE3	41755	-0.046	7.344	2.904	0.220	890
	HG2	54283	-1.654	8.362	1.364	0.270	1088
	HG3	50095	-1.83	5.575	1.350	0.279	1039
	HZ	5	7.666	7.989	7.826	0.158
	C	65428	0.112	996.253	176.624	5.183	39
	CA	90906	1.155	359.222	56.936	3.011	81
	CB	84500	-26.686	332.988	32.762	2.722	128
	CD	44449	0.0000	329.284	28.991	2.501	88
	CE	42755	-0.130	342.334	41.920	2.871	77
	CG	47373	0.0000	325.487	24.945	2.944	102
	N	101151	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	29984	-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	19155	-0.93	313.565	4.409	2.284	1
	HB2	17080	-27.312	33.750	2.025	0.556	97
	HB3	16036	-27.312	12.94	1.997	0.502	123
	HG2	15617	-33.86	32.7	2.381	1.377	51
	HG3	14742	-33.86	31.7	2.357	1.483	49
	ME	12455	-24.86	10.2000	1.788	1.446	89
	C	19935	2.200	185.212	176.195	3.137	7
	CA	28002	25.7283	85.327	56.114	2.267	67
	CB	25744	0.2	332.173	32.954	3.013	60
	CE	11414	0.000	317.645	17.227	3.929	56
	CG	13685	2.30	332.686	32.061	3.054	33
	N	29281	0.000	428.252	120.155	4.886	50
PHE	H	54297	-0.5	12.357	8.331	0.726	362
	HA	33309	1.33	59.70	4.612	0.706	31
	HB2	30964	-0.463	7.979	2.993	0.378	415
	HB3	30157	-0.212	12.72	2.935	0.396	441
	HD1	25553	0.603	12.154	7.038	0.392	257
	HD2	21722	0.603	12.154	7.040	0.403	213
	HE1	22215	-2.838	14.080	7.063	0.441	186
	HE2	19105	0	12.9	7.063	0.435	174
	HZ	15455	-7.14	43.623	6.994	0.695	124
	C	34109	0.088	184.929	175.444	2.860	15
	CA	47257	4.917	363.618	58.095	3.586	46
	CB	44120	2.161	341.700	39.900	3.340	58
	CD1	15522	7.160	148.7280	131.207	5.683	73
	CD2	10904	7.160	140.309	131.348	4.331	37
	CE1	13452	0.000	149.609	130.347	5.661	65
	CE2	9447	7.307	149.609	130.544	4.045	38
	CG	554	0.0000	156.3	137.196	11.771	5
	CZ	9985	7.351	165.611	129.034	4.104	37
	N	51897	0.067	422.843	120.399	5.394	76
PRO	H	20	7.264	9.521	8.513	0.531
	H2	5	8.070	9.673	8.756	0.710
	HA	38370	0.636	135.80	4.385	0.756	53
	HB2	35253	-1.501	5.63	2.069	0.368	625
	HB3	34192	-3.48	6.10	1.997	0.379	629
	HD2	32345	-6.56	7.67	3.637	0.438	480
	HD3	31195	-6.56	8.353	3.604	0.457	583
	HG2	31448	-2.35	7.395	1.917	0.339	760
	HG3	29204	-1.520	4.92	1.896	0.348	704
	C	37869	0	183.517	176.670	3.907	31
	CA	52901	0	363.087	63.316	3.303	107
	CB	48950	0	333.586	31.871	2.860	82
	CD	29005	1.155	350.648	50.338	3.011	66
	CG	29044	2.436	327.402	27.267	3.590	48
	N	3482	0.140	430	134.900	19.659	39
SER	H	95657	-15.3	116.95709	8.276	0.684	424
	H1	1	7.930	7.930	7.930
	HA	58347	1.277	58.739	4.474	0.464	556
	HB2	53076	0.61	9.182	3.867	0.274	836
	HB3	49173	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	61549	0.000	197.1	174.549	3.502	46
	CA	85666	4.331	656.505	58.664	3.329	63
	CB	79085	-939.2800	365.087	63.723	4.442	191
	N	92037	0.000	416.964	116.321	4.053	333
THR	H	83253	0.0000	21.7	8.225	0.629	704
	H1	1	8.810	8.810	8.810
	HA	50903	0.87	7.468	4.449	0.475	302
	HB	46335	0.087	71.587	4.168	0.623	101
	HG1	1930	-1.783	11.01	5.126	1.460	26
	MG	46699	-12.1	16.3	1.138	0.271	612
	C	52407	4.780	185.918	174.453	3.786	39
	CA	72933	0.971	92.659	62.193	2.704	139
	CB	67256	-939.2800	629.206	69.609	5.058	171
	CG2	40586	7.177	175.6	21.582	1.826	132
	N	80139	0.0	402	115.388	6.013	90
TRP	H	18081	3.421	17.315	8.262	0.783	114
	HA	11271	2.043	172.573	4.688	1.669	2
	HB2	10606	0.42	5.35	3.175	0.346	161
	HB3	10299	-0.3776	7.972	3.115	0.372	155
	HD1	9321	1.880	10.75	7.127	0.361	146
	HE1	10755	-1.279	131.711	10.099	1.355	54
	HE3	8057	1.85	12.233	7.300	0.515	152
	HH2	8004	2.84	10.900	6.960	0.443	134
	HZ2	8705	2.63	10.81	7.270	0.401	126
	HZ3	7773	0.76	8.898	6.857	0.459	99
	C	10822	2.500	184.30	176.044	5.428	12
	CA	15118	2.966	362.099	57.727	4.414	16
	CB	13911	1.6	328.795	30.030	4.367	23
	CD1	5984	30.236	183.141	126.335	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	4989	-10.872	174.807	120.201	5.279	30
	CG	298	4.174	129.700	110.326	8.531	4
	CH2	5281	-6.333	160.818	123.555	4.826	25
	CZ2	5697	7.107	159.041	114.081	4.381	33
	CZ3	5016	-8.702	161.540	121.172	4.502	23
	N	16729	6.712	423.160	121.631	5.815	20
	NE1	8861	0.53	435.960	129.281	5.852	38
TYR	H	47461	0.02	117.5936	8.281	0.886	76
	H1	1	8.359	8.359	8.359
	HA	28676	0.442	7.160	4.606	0.558	237
	HB2	26566	-21.230	23.28	2.897	0.454	228
	HB3	25875	-21.230	23.28	2.835	0.471	274
	HD1	22657	0.190	10.5	6.920	0.365	272
	HD2	19461	0.5522	10.499	6.918	0.368	237
	HE1	21452	0.08	11.8	6.690	0.301	196
	HE2	18546	0.43	11.7	6.692	0.311	174
	HH	520	-0.788	31	9.008	2.095	5
	C	28814	2.200	184.78	175.406	4.245	23
	CA	39856	2.200	357.681	58.127	2.963	31
	CB	36754	18.38	338.686	39.263	2.942	62
	CD1	13986	19.40	141.572	132.391	5.150	72
	CD2	9582	3.492	139.7599743	132.407	5.086	56
	CE1	13743	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	44844	0.2	818	120.642	10.592	40
VAL	H	100501	-0.41	15.050	8.266	0.671	472
	H1	2	8.025	8.194	8.110	0.120
	HA	61787	-2.83	54.971	4.165	0.619	141
	HB	57288	-27.480	31.75	1.980	0.434	454
	MG1	59114	-27.2	24.20	0.817	0.331	659
	MG2	58117	-27.2	56.56	0.802	0.413	345
	C	64550	1	205.699	175.640	3.198	36
	CA	88493	-17.046	362.057	62.484	3.121	120
	CB	81675	15.597025	331.747	32.690	2.187	168
	CG1	53174	-7.4	321.185	21.518	2.300	100
	CG2	51355	-5.648	320.420	21.339	2.398	99
	N	97666	0.2	529	121.157	6.836	110