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	110251	-0.914	131.25	8.196	0.885	146
	H1	1	7.401	7.401	7.401
	HA	67604	-2.52	17.870	4.243	0.439	1325
	HN	1	8.32	8.32	8.320
	MB	65892	-14.040	11.3746	1.352	0.278	1171
	C	71238	0.037	187.2	177.743	3.473	45
	CA	97029	17.007	354.698	53.141	2.618	97
	CB	92461	-40.993	318.868	19.027	2.844	220
	N	106161	0.049	766	123.385	5.646	125
ARG	H	72459	0.011	178	8.240	0.976	52
	HA	46113	1.212	12.57	4.287	0.464	571
	HB2	41549	-4.78	27.530	1.789	0.306	546
	HB3	39196	-2.880	27.530	1.760	0.318	568
	HD2	36364	-6.44	5.0	3.108	0.263	718
	HD3	33082	-0.690	44.092	3.094	0.361	396
	HE	12230	1.150	116.661	7.440	2.688	7
	HG2	37011	-1.45	4.2	1.558	0.282	683
	HG3	34271	-1.298	5.47	1.540	0.297	712
	HH11	1014	4.41	11.7	6.932	0.566	24
	HH12	776	4.41	10.727	6.880	0.533	18
	HH21	870	1.233	11.352	6.826	0.642	19
	HH22	718	1.233	60.1410	6.904	2.088	1
	C	44615	0.174	184.96	176.427	3.142	14
	CA	62702	8.369	358.124	56.761	3.146	66
	CB	58109	15.013	329.120	30.666	2.379	171
	CD	31854	18.9350	342.642	43.198	2.765	48
	CG	31666	0.000	328.290	27.245	2.877	58
	CZ	894	43.199	184.497	160.098	6.942	9
	N	68069	0.125	433.808	120.863	4.535	121
	NE	7584	-23.150	166.804	89.884	13.484	62
	NH1	306	6.450	124.7890	78.811	13.525	6
	NH2	264	66.2	128.470	78.739	13.965	7
ASN	H	59728	0.008	118.641	8.352	1.877	31
	HA	37799	0.896	7.110	4.659	0.359	520
	HB2	35258	-0.827	8.883	2.798	0.333	572
	HB3	34012	-0.948	5.958	2.742	0.356	571
	HD21	26154	0.687	111.320	7.335	0.820	53
	HD22	25818	0.905	111.320	7.144	0.835	117
	C	37513	0.114	187.551	175.215	3.326	21
	CA	52527	2.200	354.022	53.524	3.246	38
	CB	49582	1.9620	342.798	38.707	3.299	55
	CG	3064	0.000	185.503	176.241	8.643	12
	N	56720	0.041	426.314	118.937	5.213	43
	ND2	22639	21.038	1114.29	112.876	12.001	12
ASP	H	85891	-0.35	25.876	8.295	0.580	739
	H1	1	8.133	8.133	8.133
	HA	53005	-3.75	8.66	4.582	0.323	780
	HB2	49130	-5.2	37.4	2.715	0.488	107
	HB3	47097	-1.46	37.2	2.666	0.495	126
	HD2	23	0.968	12.30	5.509	3.163
	C	54874	0.106	184.14	176.357	3.370	28
	CA	75491	5.630	354.531	54.668	2.587	86
	CB	71242	9.7	341.273	40.878	2.400	189
	CG	1185	2.637	188.215	177.318	17.663	15
	N	82985	0.061	428.093	120.726	4.465	131
CYS	H	28571	3.723	12.660	8.373	0.693	166
	HA	21971	-9.858	43.5	4.677	0.934	73
	HB2	21068	-39.82	363.580	3.114	5.987	46
	HB3	20509	-44.2	363.580	3.039	5.431	43
	HG	300	-1.830	10.700	2.073	1.391	6
	C	13810	1.000	187.591	174.732	3.272	10
	CA	21010	30.6688	90.374	57.978	3.492	24
	CB	19953	17.850	111.008	33.449	6.660	21
	N	23238	-147	628	120.335	16.527	82
GLN	H	63364	0.000	122.824	8.243	1.818	23
	HA	38261	0.000	29.948	4.264	0.466	395
	HB2	34501	-1.514	10.461	2.042	0.273	465
	HB3	32735	-1.4980	20.9	2.014	0.318	393
	HE21	24050	-3.41	23.893	7.222	0.497	202
	HE22	23759	0.000	113.695	7.037	0.846	39
	HG2	32056	-1.76	33.5990	2.314	0.327	385
	HG3	29659	-1.395	34.946	2.294	0.352	425
	C	40454	0.069	1755.998	176.313	8.554	16
	CA	55637	1.733	356.830	56.526	2.515	55
	CB	51712	1.843	328.286	29.170	2.380	173
	CD	3059	6.789	190.624	179.335	7.072	7
	CG	29016	0.000	333.032	33.801	2.426	46
	N	61215	0.000	418.059	120.027	4.341	120
	NE2	21665	33.9	412.160	111.878	2.894	71
GLU	H	110843	0.008	123.2260	8.330	0.789	277
	HA	69071	0.433	8.02	4.239	0.409	1273
	HB2	62088	-1.470	4.82	2.018	0.220	886
	HB3	58307	-1.633	8.095	1.995	0.226	832
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	57020	-0.674	4.69	2.264	0.219	947
	HG3	53004	-0.10	4.69	2.246	0.221	866
	C	71930	0.074	184.71	176.836	3.974	46
	CA	97343	1.056	360.826	57.309	3.073	87
	CB	90689	9.08	330.834	29.988	2.920	144
	CD	1260	0.000	198.609	181.275	13.353	8
	CG	51840	6.16	337.230	36.138	2.798	71
	N	107389	0.044	422.043	120.760	4.449	147
GLY	H	109490	-15.3	121.881	8.326	0.857	497
	H1	2	8.373	8.677	8.525	0.215
	HA2	66257	-3.4	8.64	3.958	0.397	1075
	HA3	62795	-3.936	43.9930	3.890	0.430	894
	C	69094	1.000	189.533	173.829	3.492	68
	CA	96524	2.200	344.994	45.364	2.069	193
	N	104392	0.2	791	109.637	6.442	299
HIS	H	30487	-0.3	177.991	8.257	1.208	43
	HA	19869	0.676	11.38	4.614	0.551	247
	HB2	18428	-2.168	45.897	3.152	1.060	134
	HB3	17845	-6.2	38.5	3.094	1.033	141
	HD1	1133	-15	86.5	9.827	8.160	29
	HD2	12779	-25.85	67.8	7.136	3.114	90
	HE1	9989	-26.6	134.811	7.842	2.430	84
	HE2	431	-15	76.4	11.026	7.523	11
	C	18801	1.000	184.204	175.132	4.461	16
	CA	26981	11.40	355.084	56.489	3.224	68
	CB	25206	13.496	329.046	30.317	3.003	84
	CD2	8443	7.19	159.946	119.921	5.448	59
	CE1	6594	8.198	166.282	137.263	5.459	62
	CG	338	18.669	139.83	131.549	8.650	3
	N	28856	0.2	427.146	119.697	5.035	47
	ND1	913	31.026	261.013	190.391	34.031	2
	NE2	815	17.0	257.572	180.599	19.890	21
ILE	H	74688	0.008	11.871	8.255	0.687	399
	HA	46511	-9.0	173.538	4.163	0.965	7
	HB	43537	-2.442	38.700	1.785	0.387	253
	HG12	39339	-10.1	5.56	1.264	0.445	309
	HG13	37801	-10.1	9.71	1.196	0.477	283
	MD	45382	-4.15	13.891	0.674	0.324	730
	MG	41740	-3.919	6.23	0.770	0.301	674
	C	47647	0	187.551	175.836	4.242	32
	CA	65904	20.877	362.184	61.635	3.237	68
	CB	60994	-34.477	339.785	38.552	2.769	118
	CD1	41580	1.358	314.600	13.486	3.259	118
	CG1	35830	8.0	329.288	27.762	3.183	177
	CG2	38183	0.79	317.615	17.596	3.102	129
	N	72164	0.0000	531	121.432	5.849	141
LEU	H	124504	-0.3	119.596	8.218	0.720	425
	H1	6	7.340	8.484	8.204	0.446
	HA	76833	0.000	119.411	4.300	0.623	92
	HB2	70179	-1.825	8.02	1.607	0.358	907
	HB3	67185	-1.825	1579.0	1.548	6.097	1
	HG	61447	-2.08	26.85	1.503	0.363	664
	HN	2	7.62	7.76	7.690	0.099
	MD1	73022	-3.42	30.176	0.747	0.337	1069
	MD2	70357	-3.42	24.59	0.729	0.390	638
	C	79478	0.071	189.78	177.013	3.436	32
	CA	109617	1.056	158.320	55.648	2.205	221
	CB	101660	7.439	93.180	42.210	1.988	711
	CD1	64485	0.438	120.700	24.651	1.993	246
	CD2	61627	0.280	116.300	24.130	2.068	186
	CG	54762	0.000	75.280	26.804	1.453	420
	N	119779	0.044	627	121.951	7.257	125
LYS	H	104554	0.002	123.7085	8.190	1.494	35
	HA	66521	-0.118	33.308	4.256	0.464	632
	HB2	59545	-1.416	10.94	1.775	0.262	973
	HB3	55939	-3.038	9.43	1.748	0.278	923
	HD2	47534	-1.6800	119.620	1.608	0.612	40
	HD3	42629	-2.02	29.047	1.597	0.269	619
	HE2	46811	-0.493	42.02	2.911	0.279	557
	HE3	41219	-0.046	7.344	2.904	0.220	872
	HG2	53611	-1.654	8.362	1.364	0.270	1075
	HG3	49463	-1.83	5.575	1.349	0.279	1026
	HZ	5	7.666	7.989	7.826	0.158
	C	64047	0.112	996.253	176.626	5.232	39
	CA	89046	1.155	359.222	56.942	3.027	80
	CB	82795	-26.686	332.988	32.764	2.738	126
	CD	43837	0.834	329.284	28.996	2.508	86
	CE	42193	-0.130	342.334	41.927	2.877	74
	CG	46685	12.109	325.487	24.952	2.956	100
	N	98572	0.041	427.245	121.065	4.713	158
	NZ	366	1.950	177.2	50.700	32.985	3
	QZ	1843	-10.9	10.506	7.354	1.005	47
MET	H	29431	-0.21	177	8.258	1.153	24
	H1	1	8.237	8.237	8.237
	HA	18980	-0.93	313.565	4.409	2.294	1
	HB2	16917	-27.312	33.750	2.026	0.558	94
	HB3	15880	-27.312	12.94	1.996	0.503	121
	HG2	15492	-33.86	32.7	2.381	1.382	51
	HG3	14622	-33.86	31.7	2.357	1.489	49
	ME	12307	-24.86	10.2000	1.788	1.454	89
	C	19586	2.200	185.212	176.196	3.154	7
	CA	27539	25.7283	85.327	56.116	2.268	64
	CB	25322	0.2	332.173	32.954	3.023	58
	CE	11273	0.000	317.645	17.235	3.947	56
	CG	13550	2.30	332.686	32.062	3.066	33
	N	28726	0.000	428.252	120.143	4.913	50
PHE	H	53065	-0.5	12.357	8.332	0.728	347
	HA	32898	1.33	59.70	4.613	0.708	30
	HB2	30575	-0.463	7.979	2.993	0.378	411
	HB3	29783	-0.212	12.72	2.936	0.396	440
	HD1	25287	0.603	12.154	7.039	0.392	253
	HD2	21478	0.603	12.154	7.040	0.403	212
	HE1	21960	-2.838	14.080	7.064	0.441	185
	HE2	18866	0	12.9	7.063	0.436	171
	HZ	15295	-7.14	43.623	6.995	0.696	122
	C	33474	0.088	184.929	175.446	2.873	13
	CA	46403	4.917	363.618	58.101	3.602	44
	CB	43335	2.161	341.700	39.903	3.359	57
	CD1	15378	7.160	148.7280	131.207	5.708	73
	CD2	10819	7.160	140.309	131.345	4.346	37
	CE1	13311	0.000	149.609	130.347	5.689	64
	CE2	9356	7.307	149.609	130.540	4.063	37
	CG	538	7.229	156.3	137.447	10.358	4
	CZ	9901	7.351	165.611	129.036	4.119	37
	N	50714	0.067	422.843	120.400	5.422	76
PRO	H	19	7.264	9.521	8.511	0.546
	H2	5	8.070	9.673	8.756	0.710
	HA	37817	0.636	135.80	4.386	0.761	52
	HB2	34816	-1.501	5.63	2.069	0.368	617
	HB3	33769	-3.48	6.10	1.997	0.380	624
	HD2	32005	-6.56	7.67	3.637	0.438	472
	HD3	30869	-6.56	8.353	3.603	0.458	574
	HG2	31123	-2.35	7.395	1.918	0.338	750
	HG3	28897	-1.520	4.92	1.895	0.348	696
	C	36672	0	183.517	176.665	3.965	31
	CA	51539	0	363.087	63.322	3.331	98
	CB	47787	0	333.586	31.872	2.890	81
	CD	28655	1.155	350.648	50.341	3.027	66
	CG	28649	2.436	327.402	27.272	3.610	48
	N	3237	0.140	430	134.732	20.367	39
SER	H	92757	-15.3	116.95709	8.275	0.684	418
	H1	1	7.930	7.930	7.930
	HA	57581	1.277	58.739	4.474	0.464	549
	HB2	52363	0.61	9.182	3.868	0.274	828
	HB3	48504	0.61	41.7	3.844	0.334	575
	HG	1112	0.13	11.36	5.383	1.173	26
	HN	1	7.91	7.91	7.910
	C	59762	0.000	197.1	174.554	3.543	42
	CA	83369	4.331	656.505	58.674	3.361	63
	CB	77012	-939.2800	365.087	63.725	4.490	186
	N	89122	0.000	416.964	116.314	4.076	317
THR	H	81276	0.0000	21.7	8.226	0.632	685
	HA	50277	0.87	7.468	4.448	0.475	299
	HB	45767	0.087	71.587	4.169	0.626	97
	HG1	1872	-1.783	11.01	5.142	1.451	27
	MG	45983	-12.1	16.3	1.138	0.271	606
	C	51188	4.780	185.918	174.459	3.823	38
	CA	71368	0.971	92.659	62.199	2.711	136
	CB	65826	-939.2800	629.206	69.605	5.107	171
	CG2	39841	7.177	175.6	21.590	1.829	130
	N	78168	0.0	402	115.381	6.050	89
TRP	H	17667	3.421	17.315	8.264	0.784	113
	HA	11135	2.043	172.573	4.688	1.678	2
	HB2	10475	0.42	5.35	3.175	0.346	159
	HB3	10172	-0.3776	7.972	3.115	0.373	152
	HD1	9237	1.880	10.75	7.127	0.361	146
	HE1	10610	-1.279	131.711	10.099	1.361	51
	HE3	7989	1.85	12.233	7.300	0.516	152
	HH2	7936	2.84	10.900	6.958	0.444	132
	HZ2	8625	2.63	10.81	7.270	0.401	125
	HZ3	7706	0.76	8.898	6.856	0.460	98
	C	10571	2.500	184.30	176.040	5.485	12
	CA	14813	2.966	362.099	57.739	4.443	15
	CB	13653	1.6	328.795	30.025	4.392	23
	CD1	5932	30.236	183.141	126.342	4.269	26
	CD2	205	1.578	155.174	126.759	14.513	3
	CE2	279	56.4176	177.710	137.361	9.268	6
	CE3	4951	-10.872	174.807	120.199	5.295	30
	CG	291	4.174	129.700	110.297	8.627	4
	CH2	5239	-6.333	160.818	123.557	4.844	25
	CZ2	5648	7.107	159.041	114.081	4.398	33
	CZ3	4982	-8.702	161.540	121.173	4.516	23
	N	16334	6.712	423.160	121.636	5.853	20
	NE1	8732	0.53	435.960	129.279	5.891	38
TYR	H	46263	0.02	12.34	8.281	0.732	249
	H1	1	8.359	8.359	8.359
	HA	28243	0.442	7.160	4.607	0.558	233
	HB2	26183	-21.230	23.28	2.899	0.455	223
	HB3	25518	-21.230	23.28	2.835	0.472	270
	HD1	22387	0.190	10.5	6.921	0.365	267
	HD2	19214	0.5522	10.499	6.918	0.368	231
	HE1	21184	0.08	11.8	6.691	0.300	190
	HE2	18297	0.43	11.7	6.691	0.310	165
	HH	502	-0.788	31	9.058	2.081	5
	C	28015	2.200	184.78	175.408	4.293	23
	CA	38877	2.200	357.681	58.131	2.978	30
	CB	35900	18.38	338.686	39.270	2.958	60
	CD1	13816	19.40	141.572	132.393	5.179	72
	CD2	9483	3.492	139.7599743	132.402	5.111	56
	CE1	13546	40.435	182.764	117.742	3.979	114
	CE2	9348	34.1221	154.10	117.790	3.179	74
	CG	494	7.113	175.115	128.252	12.222	7
	CZ	362	6.839	165.718	155.985	12.277	3
	N	43659	0.2	818	120.653	10.704	39
VAL	H	98310	-0.41	15.050	8.266	0.673	457
	H1	2	8.025	8.194	8.110	0.120
	HA	60991	-2.83	54.971	4.164	0.620	139
	HB	56593	-27.480	31.75	1.981	0.436	449
	MG1	58195	-27.2	24.20	0.818	0.331	650
	MG2	57254	-27.2	56.56	0.802	0.414	336
	C	63115	1	205.699	175.644	3.222	36
	CA	86696	-17.046	362.057	62.495	3.130	118
	CB	80097	15.597025	331.747	32.688	2.195	166
	CG1	52213	-7.4	321.185	21.527	2.308	97
	CG2	50480	-5.648	320.420	21.345	2.408	97
	N	95445	0.2	529	121.149	6.885	109