BMRB - Biological Magnetic Resonance Bank

Statistics Calculated for All Chemical Shifts from Atoms in the 20 Common Amino Acids

The statistics presented in this table were calculated from the full BMRB database. This includes paramagnetic proteins, proteins with aromatic prosthetic groups, and entries where chemical shifts are reported relative to uncommon chemical shift reference compounds.

Compound ID	Atom Name	Number of Shifts	Minimum Shift	Maximum Shift	Average Shift	Standard Deviation	Shift Outliers
ALA	H	104499	-0.914	131.25	8.194	0.821	199
	HA	65876	-2.52	17.870	4.243	0.438	1293
	HN	1	8.32	8.32	8.320
	MB	63791	-14.040	5.48	1.353	0.275	1162
	C	67454	0.037	179157	180.403	689.135	1
	CA	92013	17.007	354.698	53.151	2.651	95
	CB	87414	-40.993	318.868	19.029	2.896	216
	N	100320	0.049	766	123.369	5.713	115
ARG	H	68657	0.011	178	8.239	0.992	45
	HA	44848	1.212	12.57	4.287	0.464	550
	HB2	40474	-4.78	27.530	1.789	0.308	526
	HB3	38225	-2.880	27.530	1.760	0.319	551
	HD2	35451	-6.44	5.0	3.108	0.264	698
	HD3	32295	-0.690	44.092	3.094	0.364	391
	HE	11947	1.150	116.661	7.442	2.718	7
	HG2	36078	-1.45	4.2	1.558	0.282	664
	HG3	33452	-1.298	5.47	1.540	0.297	692
	HH11	1004	4.41	11.7	6.932	0.568	22
	HH12	766	4.41	10.727	6.879	0.535	18
	HH21	866	1.233	11.352	6.827	0.643	19
	HH22	712	1.233	60.1410	6.907	2.096	1
	C	42182	0.174	184.96	176.431	3.200	14
	CA	59447	8.369	358.124	56.775	3.189	66
	CB	55112	15.013	329.120	30.670	2.406	155
	CD	30985	18.9350	342.642	43.200	2.799	48
	CG	30760	0.000	328.290	27.250	2.913	58
	CZ	873	43.199	184.497	160.086	7.009	9
	N	64328	0.125	433.808	120.842	4.576	102
	NE	7438	-23.150	149.1080	89.918	13.492	58
	NH1	302	6.450	124.7890	78.903	13.589	6
	NH2	263	66.2	128.470	78.770	13.982	7
ASN	H	56720	0.008	118.641	8.354	1.921	22
	HA	36850	0.896	7.110	4.659	0.359	509
	HB2	34407	-0.827	8.883	2.799	0.335	549
	HB3	33196	-0.948	5.958	2.743	0.357	558
	HD21	25605	0.687	111.320	7.336	0.826	53
	HD22	25278	0.905	111.320	7.144	0.841	117
	C	35550	0.114	187.551	175.219	3.463	21
	CA	49880	2.200	354.022	53.532	3.305	36
	CB	47131	1.9620	342.798	38.712	3.362	52
	CG	2975	0.000	185.503	176.228	8.767	12
	N	53681	0.041	426.314	118.923	5.271	41
	ND2	22164	21.038	1114.29	112.875	12.125	12
ASP	H	81747	-0.35	25.876	8.296	0.581	699
	HA	51727	-3.75	8.66	4.583	0.324	760
	HB2	47992	-5.2	37.4	2.715	0.492	102
	HB3	46031	-1.46	37.2	2.666	0.499	120
	HD2	22	0.968	12.30	5.611	3.198
	C	52250	0.106	184.14	176.366	3.362	27
	CA	71886	5.630	354.531	54.676	2.613	76
	CB	67887	9.7	341.273	40.879	2.431	174
	CG	1146	2.637	188.215	177.363	17.401	14
	N	78877	0.061	428.093	120.718	4.505	124
CYS	H	27416	3.723	12.660	8.374	0.693	164
	HA	21362	-9.858	43.5	4.677	0.944	70
	HB2	20500	-39.82	363.580	3.119	6.069	43
	HB3	19974	-44.2	363.580	3.044	5.503	43
	HG	294	-1.830	10.700	2.080	1.386	6
	C	13251	1.000	187.591	174.749	3.310	10
	CA	20089	30.6688	90.374	57.984	3.494	24
	CB	19106	17.850	111.008	33.482	6.670	21
	N	22207	-147	628	120.338	16.880	82
GLN	H	59615	0.000	122.824	8.243	1.870	23
	HA	37270	0.000	29.948	4.264	0.467	378
	HB2	33651	-1.514	10.461	2.043	0.273	453
	HB3	31940	-1.4980	20.9	2.015	0.320	383
	HE21	23532	-3.41	23.893	7.222	0.499	199
	HE22	23247	0.000	113.695	7.037	0.852	36
	HG2	31291	-1.76	33.5990	2.314	0.329	372
	HG3	28954	-1.395	34.946	2.295	0.353	412
	C	38445	0.069	1755.998	176.328	8.764	16
	CA	52850	1.733	356.830	56.543	2.537	53
	CB	49115	1.843	328.286	29.178	2.411	164
	CD	2978	6.789	190.624	179.337	7.164	7
	CG	28201	0.000	333.032	33.808	2.451	45
	N	57489	0.000	418.059	119.991	4.407	112
	NE2	21221	33.9	412.160	111.875	2.911	70
GLU	H	105566	0.008	123.2260	8.329	0.799	254
	HA	67258	0.433	8.02	4.239	0.409	1240
	HB2	60528	-1.470	4.82	2.018	0.220	872
	HB3	56898	-1.633	8.095	1.995	0.226	824
	HE2	39	0.801	11.96	4.820	1.895	1
	HG2	55719	-0.674	4.69	2.265	0.219	935
	HG3	51834	-0.10	4.69	2.246	0.222	836
	C	68465	0.074	184.71	176.842	4.052	45
	CA	92757	1.056	360.826	57.319	3.116	84
	CB	86457	9.08	330.834	29.993	2.969	137
	CD	1210	0.000	198.609	181.216	13.618	8
	CG	50473	6.16	337.230	36.142	2.827	69
	N	102141	0.044	422.043	120.744	4.497	140
GLY	H	103554	-15.3	121.881	8.327	0.812	611
	H1	2	8.373	8.677	8.525	0.215
	HA2	64517	-3.4	8.64	3.959	0.394	1047
	HA3	61228	-3.936	43.9930	3.891	0.432	873
	C	65470	1.000	189.533	173.827	3.550	65
	CA	91596	2.200	344.994	45.367	2.101	187
	N	98416	0.2	791	109.636	6.553	266
HIS	H	29006	-0.3	13.34	8.253	0.722	299
	HA	19362	0.676	11.38	4.615	0.554	241
	HB2	17962	-2.168	45.897	3.153	1.072	132
	HB3	17399	-6.2	38.5	3.096	1.045	140
	HD1	1109	-15	86.5	9.841	8.243	27
	HD2	12534	-25.85	67.8	7.138	3.143	90
	HE1	9833	-26.6	134.811	7.841	2.448	71
	HE2	423	-15	76.4	11.071	7.584	11
	C	17899	1.000	184.204	175.137	4.552	16
	CA	25678	11.40	355.084	56.500	3.267	67
	CB	24028	13.496	329.046	30.312	3.042	70
	CD2	8273	7.19	159.946	119.919	5.487	59
	CE1	6473	8.198	166.282	137.259	5.501	62
	CG	329	18.669	139.83	131.479	8.734	3
	N	27382	0.2	427.146	119.685	5.082	47
	ND1	891	31.026	261.013	191.288	33.329	2
	NE2	805	17.0	257.572	180.659	19.986	21
ILE	H	71084	0.008	11.871	8.257	0.689	381
	HA	45406	-9.0	173.538	4.162	0.973	7
	HB	42533	-2.442	38.700	1.785	0.390	245
	HG12	38478	-10.1	5.56	1.264	0.447	304
	HG13	36980	-10.1	9.71	1.196	0.478	280
	MD	43902	-4.15	13.891	0.674	0.325	699
	MG	40762	-3.919	6.23	0.770	0.302	647
	C	45407	0	187.551	175.833	4.323	32
	CA	62789	20.877	362.184	61.641	3.261	66
	CB	58180	-34.477	339.785	38.555	2.797	100
	CD1	40041	1.358	314.600	13.489	3.305	118
	CG1	34850	8.0	329.288	27.768	3.210	168
	CG2	37119	0.79	317.615	17.599	3.138	125
	N	68516	0.0000	531	121.433	5.867	134
LEU	H	118279	-0.3	119.596	8.217	0.724	405
	H1	1	7.340	7.340	7.340
	HA	74965	0.000	119.411	4.300	0.627	82
	HB2	68573	-1.825	8.02	1.608	0.358	893
	HB3	65704	-1.825	1579.0	1.549	6.166	1
	HG	60120	-2.08	5.965	1.503	0.348	747
	HN	2	7.62	7.76	7.690	0.099
	MD1	70594	-3.42	30.176	0.747	0.327	1122
	MD2	67985	-3.42	24.59	0.729	0.382	666
	C	75577	0.071	189.78	177.016	3.497	32
	CA	104205	1.056	158.320	55.653	2.210	211
	CB	96782	7.439	93.180	42.221	1.987	654
	CD1	62081	0.438	120.700	24.653	2.006	235
	CD2	59332	0.280	116.300	24.131	2.081	184
	CG	53354	0.000	75.280	26.805	1.460	409
	N	113551	0.044	627	121.942	7.354	113
LYS	H	99955	0.002	123.7085	8.191	1.523	34
	HA	64983	-0.118	32.650	4.256	0.451	731
	HB2	58248	-1.416	10.94	1.775	0.263	952
	HB3	54787	-3.038	9.43	1.748	0.278	900
	HD2	46533	-1.6800	119.620	1.608	0.617	38
	HD3	41785	-2.02	29.047	1.597	0.270	603
	HE2	45863	-0.493	42.02	2.911	0.280	537
	HE3	40387	-0.046	7.344	2.904	0.220	852
	HG2	52496	-1.654	8.362	1.364	0.270	1053
	HG3	48443	-1.83	5.575	1.350	0.279	1010
	HZ	5	7.666	7.989	7.826	0.158
	C	61196	0.112	996.253	176.630	5.336	39
	CA	85100	1.155	359.222	56.948	3.061	77
	CB	79242	-26.686	332.988	32.768	2.770	116
	CD	42835	0.834	329.284	28.996	2.528	82
	CE	41247	-0.130	342.334	41.927	2.906	73
	CG	45598	12.109	325.487	24.955	2.986	98
	N	94041	0.041	427.245	121.056	4.753	147
	NZ	361	1.950	177.2	50.571	32.956	3
	QZ	1801	-10.9	10.506	7.347	1.013	47
MET	H	28053	-0.21	177	8.256	1.175	23
	HA	18541	-0.93	313.565	4.409	2.321	1
	HB2	16537	-27.312	33.750	2.025	0.562	93
	HB3	15537	-27.312	12.94	1.996	0.506	119
	HG2	15169	-33.86	32.7	2.382	1.396	49
	HG3	14328	-33.86	31.7	2.356	1.503	49
	ME	11964	-24.86	10.2000	1.786	1.474	89
	C	18637	2.200	185.212	176.205	3.203	7
	CA	26194	25.7283	85.327	56.127	2.270	64
	CB	24119	0.2	332.173	32.955	3.062	57
	CE	10934	0.000	317.645	17.240	4.003	56
	CG	13210	2.30	332.686	32.066	3.095	33
	N	27310	0.000	428.252	120.109	4.860	46
PHE	H	50423	-0.5	12.357	8.332	0.729	322
	HA	32072	1.33	59.70	4.614	0.711	29
	HB2	29795	-0.463	7.979	2.994	0.378	406
	HB3	29025	-0.212	12.72	2.936	0.397	427
	HD1	24742	0.603	12.154	7.039	0.393	246
	HD2	21014	0.603	12.154	7.041	0.404	206
	HE1	21543	-2.838	14.080	7.065	0.443	181
	HE2	18510	0	12.9	7.064	0.438	168
	HZ	15019	-7.14	43.623	6.995	0.700	122
	C	31820	0.088	184.929	175.451	2.912	12
	CA	44116	4.917	363.618	58.108	3.652	42
	CB	41257	2.161	341.700	39.914	3.414	54
	CD1	15027	7.160	148.7280	131.200	5.771	73
	CD2	10601	7.160	140.309	131.343	4.385	36
	CE1	13057	0.000	149.609	130.347	5.715	63
	CE2	9212	7.307	149.609	130.542	4.088	37
	CG	513	7.229	156.3	137.464	10.596	4
	CZ	9700	7.351	165.611	129.034	4.141	35
	N	48090	0.067	422.843	120.396	5.406	70
PRO	H	9	7.808	8.995	8.367	0.388
	H2	5	8.070	9.673	8.756	0.710
	HA	36699	0.636	135.80	4.386	0.770	50
	HB2	33851	-1.501	5.63	2.070	0.368	598
	HB3	32829	-3.48	6.10	1.998	0.380	611
	HD2	31172	-6.56	7.67	3.637	0.440	462
	HD3	30068	-6.56	8.353	3.603	0.460	557
	HG2	30307	-2.35	7.395	1.919	0.340	723
	HG3	28147	-1.520	4.92	1.895	0.350	678
	C	34527	0	183.517	176.662	4.070	31
	CA	48708	0	363.087	63.329	3.402	89
	CB	45213	0	333.586	31.873	2.953	78
	CD	27787	1.155	350.648	50.345	3.068	66
	CG	27730	2.436	327.402	27.268	3.551	44
	N	2906	0.140	430	134.831	21.331	39
SER	H	87067	-15.3	116.95709	8.274	0.695	387
	HA	56079	1.277	58.739	4.474	0.466	524
	HB2	51059	0.61	9.182	3.868	0.275	807
	HB3	47324	0.61	41.7	3.845	0.336	561
	HG	1075	0.13	11.36	5.392	1.180	26
	HN	1	7.91	7.91	7.910
	C	56359	0.000	197.1	174.557	3.627	41
	CA	78749	4.331	361.278	58.680	2.686	88
	CB	72770	-939.2800	365.087	63.724	4.601	180
	N	83373	0.000	416.964	116.290	4.092	295
THR	H	77001	0.02	21.7	8.226	0.632	656
	HA	49080	0.87	7.468	4.448	0.476	294
	HB	44727	0.087	71.587	4.169	0.631	93
	HG1	1845	-1.783	11.01	5.155	1.443	30
	MG	44764	-12.1	16.3	1.139	0.273	579
	C	48586	4.780	185.918	174.460	3.903	38
	CA	67721	0.971	92.659	62.200	2.723	127
	CB	62552	-939.2800	629.206	69.602	5.225	170
	CG2	38526	7.177	175.6	21.591	1.849	127
	N	73811	0.0	402	115.366	6.090	81
TRP	H	16632	3.421	17.315	8.262	0.783	111
	HA	10804	2.043	172.573	4.689	1.700	2
	HB2	10163	0.42	5.35	3.177	0.347	152
	HB3	9874	-0.3776	7.972	3.117	0.371	153
	HD1	8986	1.880	10.75	7.128	0.361	143
	HE1	10193	-1.279	131.711	10.099	1.383	49
	HE3	7786	1.85	12.233	7.303	0.514	139
	HH2	7732	2.84	10.900	6.957	0.447	126
	HZ2	8401	2.63	10.81	7.270	0.404	124
	HZ3	7505	0.76	8.898	6.854	0.463	97
	C	10057	2.500	184.30	176.027	5.604	12
	CA	14056	2.966	362.099	57.736	4.517	14
	CB	12971	1.6	328.795	30.040	4.481	23
	CD1	5768	30.236	183.141	126.351	4.304	24
	CD2	199	1.578	155.174	126.678	14.721	3
	CE2	274	56.4176	177.710	137.337	9.350	6
	CE3	4822	-10.872	174.807	120.214	5.324	29
	CG	284	4.174	129.700	110.290	8.731	4
	CH2	5098	-6.333	160.818	123.568	4.815	22
	CZ2	5496	7.107	159.041	114.075	4.425	32
	CZ3	4847	-8.702	161.540	121.181	4.481	22
	N	15328	6.712	423.160	121.611	5.750	15
	NE1	8379	0.53	435.960	129.277	6.001	36
TYR	H	43385	0.02	12.34	8.284	0.735	221
	HA	27476	0.442	7.160	4.608	0.558	229
	HB2	25487	-21.230	23.28	2.899	0.457	217
	HB3	24844	-21.230	23.28	2.835	0.474	262
	HD1	21863	0.190	10.5	6.922	0.366	259
	HD2	18750	0.5522	10.499	6.918	0.370	220
	HE1	20712	0.08	11.8	6.691	0.302	186
	HE2	17872	0.43	11.7	6.691	0.312	161
	HH	496	-0.788	31	9.052	2.092	5
	C	26634	2.200	184.78	175.407	4.368	22
	CA	36934	2.200	357.681	58.137	3.004	28
	CB	34207	18.38	338.686	39.273	2.993	56
	CD1	13506	19.40	141.572	132.386	5.227	70
	CD2	9261	3.492	139.644	132.400	5.157	52
	CE1	13258	40.435	182.764	117.737	4.019	113
	CE2	9146	34.1221	154.10	117.787	3.210	73
	CG	475	7.113	175.115	128.269	12.461	7
	CZ	345	6.839	165.718	155.857	12.555	3
	N	40792	0.2	818	120.670	11.019	38
VAL	H	93399	-0.41	15.050	8.266	0.673	441
	H1	1	8.025	8.025	8.025
	HA	59577	-2.83	54.971	4.165	0.622	133
	HB	55303	-27.480	31.75	1.981	0.438	435
	MG1	56391	-27.2	24.20	0.819	0.330	639
	MG2	55492	-27.2	56.56	0.803	0.418	313
	C	60401	1	205.699	175.649	3.268	36
	CA	82783	-17.046	362.057	62.501	3.146	112
	CB	76581	15.597025	331.747	32.696	2.214	162
	CG1	50424	-7.4	321.185	21.531	2.335	94
	CG2	48763	-5.648	320.420	21.346	2.432	96
	N	90518	0.2	529	121.139	6.981	100