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	89951	-0.914	131.25	8.194	0.856	144
	HA	60239	-2.52	17.870	4.245	0.442	1163
	MB	58261	-14.040	5.48	1.352	0.279	1057
	C	58112	0.037	187.2	177.734	3.726	40
	CA	79708	17.007	354.698	53.161	2.746	89
	CB	75812	-40.993	318.868	19.053	3.039	203
	N	86038	0.049	766	123.359	5.988	103
ARG	H	59995	0.011	178	8.241	1.039	39
	HA	41320	1.212	12.57	4.289	0.468	485
	HB2	37489	-4.78	27.530	1.789	0.310	483
	HB3	35493	-1.320	27.530	1.759	0.322	512
	HD2	32934	-6.44	5.0	3.106	0.267	656
	HD3	30056	-0.690	5.0	3.091	0.286	631
	HE	11159	1.150	116.661	7.449	2.806	7
	HG2	33504	-1.45	4.2	1.558	0.284	617
	HG3	31123	-1.298	5.47	1.539	0.299	645
	HH11	972	4.41	11.7	6.939	0.576	22
	HH12	740	4.41	10.727	6.882	0.543	17
	HH21	833	1.233	11.352	6.826	0.653	19
	HH22	684	1.233	60.1410	6.906	2.138	1
	C	36674	0.174	184.96	176.420	3.320	13
	CA	51860	8.369	358.124	56.780	3.307	57
	CB	48274	16.52	329.120	30.689	2.490	126
	CD	28500	18.9350	342.642	43.200	2.905	46
	CG	28248	12.17	328.290	27.257	3.007	47
	CZ	770	43.199	184.497	160.117	7.314	8
	N	55757	0.125	433.808	120.820	4.721	86
	NE	6998	-23.150	149.1080	90.019	13.654	54
	NH1	284	6.450	124.7890	78.818	13.663	6
	NH2	247	66.2	128.470	78.581	14.068	7
ASN	H	49427	0.008	121.370	8.365	2.165	24
	HA	34003	0.896	7.110	4.661	0.362	469
	HB2	31893	-0.827	8.883	2.800	0.333	512
	HB3	30800	-0.948	5.806	2.743	0.358	515
	HD21	23944	0.687	111.320	7.336	0.846	51
	HD22	23672	0.905	111.320	7.145	0.861	110
	C	30973	0.114	185.3000	175.222	3.506	17
	CA	43573	2.200	354.022	53.545	3.467	29
	CB	41296	1.9620	342.798	38.727	3.542	46
	CG	2727	0.000	185.503	176.236	8.700	11
	N	46541	0.041	426.314	118.893	5.475	40
	ND2	20778	21.038	1114.29	112.891	12.505	11
ASP	H	71279	-0.35	25.876	8.299	0.589	599
	HA	47731	-3.75	8.66	4.584	0.326	692
	HB2	44500	-5.2	37.4	2.716	0.506	78
	HB3	42769	-1.46	37.2	2.667	0.513	105
	HD2	19	1.160	12.30	5.937	3.249
	C	45379	0.106	184.14	176.368	3.514	24
	CA	62755	5.630	354.531	54.690	2.695	70
	CB	59462	9.7	341.273	40.894	2.532	153
	CG	1000	2.637	188.215	177.114	18.598	14
	N	68488	0.061	428.093	120.698	4.608	98
CYS	H	24652	3.723	12.660	8.377	0.696	153
	HA	19864	-9.858	43.5	4.679	0.969	59
	HB2	19119	-39.82	363.580	3.132	6.283	42
	HB3	18643	-44.2	363.580	3.053	5.695	43
	HG	259	-1.830	10.700	2.035	1.346	4
	C	11853	1.000	187.591	174.777	3.428	10
	CA	17868	30.6688	90.374	58.005	3.501	24
	CB	17043	17.99	111.008	33.457	6.633	20
	N	19657	-147	628	120.407	17.877	82
GLN	H	50825	0.000	122.824	8.250	2.014	23
	HA	34149	0.403	7.43	4.264	0.432	563
	HB2	31039	-1.514	10.461	2.043	0.275	422
	HB3	29580	-1.4980	20.9	2.013	0.325	358
	HE21	21888	-3.41	23.893	7.218	0.502	191
	HE22	21767	1.025	113.695	7.036	0.872	30
	HG2	28963	-1.76	33.5990	2.314	0.336	339
	HG3	26912	-1.395	34.946	2.293	0.360	375
	C	32759	0.069	1755.998	176.339	9.407	13
	CA	45294	1.733	356.830	56.558	2.615	48
	CB	42448	1.843	328.286	29.197	2.506	131
	CD	2670	6.789	190.624	179.313	7.549	7
	CG	25807	2.097	333.032	33.806	2.537	41
	N	48796	0.000	418.059	119.943	4.584	82
	NE2	19735	33.9	412.160	111.876	2.984	63
GLU	H	92263	0.008	122.9	8.329	0.738	343
	HA	62159	0.433	8.02	4.241	0.412	1121
	HB2	56261	-1.470	4.82	2.018	0.221	806
	HB3	52981	-1.633	8.095	1.995	0.228	770
	HE2	18	0.801	11.96	4.709	2.604
	HG2	51947	-0.674	4.69	2.264	0.221	872
	HG3	48440	-0.10	4.69	2.245	0.224	779
	C	59787	0.074	184.71	176.839	4.217	40
	CA	81461	1.056	360.826	57.329	3.234	76
	CB	76148	9.08	330.834	30.013	3.110	123
	CD	1047	0.000	198.609	181.133	14.602	8
	CG	46701	6.16	337.230	36.143	2.921	65
	N	88945	0.044	422.043	120.716	4.650	117
GLY	H	89276	-15.3	121.881	8.326	0.760	802
	H1	1	8.677	8.677	8.677
	HA2	59411	-3.4	8.64	3.961	0.398	959
	HA3	56571	-3.936	43.9930	3.889	0.438	790
	C	56508	1.000	189.533	173.841	3.374	55
	CA	79257	2.200	344.994	45.377	2.189	171
	N	84271	0.2	791	109.672	6.950	207
HIS	H	25381	-0.3	13.34	8.254	0.731	267
	HA	17995	0.676	11.38	4.616	0.562	230
	HB2	16780	-2.168	45.897	3.158	1.106	129
	HB3	16311	-6.2	38.5	3.099	1.075	140
	HD1	1043	-15	86.5	9.943	8.473	23
	HD2	11813	-25.85	67.8	7.146	3.236	90
	HE1	9283	-26.6	134.811	7.834	2.516	63
	HE2	389	-15	76.4	11.096	7.889	11
	C	15714	1.000	184.204	175.135	4.638	15
	CA	22701	11.40	355.084	56.514	3.372	62
	CB	21311	13.496	329.046	30.319	3.151	62
	CD2	7687	7.19	159.946	119.912	5.640	53
	CE1	6015	8.198	166.282	137.248	5.672	55
	CG	269	18.669	139.83	131.209	9.541	3
	N	23783	0.2	427.146	119.667	5.217	43
	ND1	831	31.026	261.013	192.601	32.495	2
	NE2	754	17.0	257.572	180.840	20.342	20
ILE	H	62147	0.008	11.871	8.262	0.691	305
	HA	42027	-9.0	173.538	4.166	1.000	7
	HB	39549	-2.442	38.700	1.783	0.396	218
	HG12	35940	-10.1	5.56	1.263	0.451	275
	HG13	34582	-10.1	9.71	1.193	0.483	257
	MD	40182	-4.15	13.891	0.672	0.330	644
	MG	37982	-3.919	6.23	0.769	0.305	596
	C	39755	0	187.551	175.810	4.452	29
	CA	55060	20.877	362.184	61.629	3.335	64
	CB	51338	-34.477	339.785	38.577	2.895	84
	CD1	36245	2.7	314.600	13.500	3.435	111
	CG1	32112	8.0	329.288	27.758	3.309	143
	CG2	34177	0.79	317.615	17.603	3.201	105
	N	59569	0.0000	531	121.440	6.037	113
LEU	H	102873	-0.3	119.596	8.218	0.737	316
	HA	69232	0.000	119.411	4.303	0.640	72
	HB2	63647	-1.522	8.02	1.607	0.359	822
	HB3	61090	-1.79	8.39	1.523	0.376	881
	HG	56257	-2.08	5.965	1.503	0.348	691
	MD1	64987	-3.42	30.176	0.748	0.330	1007
	MD2	62547	-3.42	24.504	0.727	0.357	792
	C	65850	0.071	189.78	176.998	3.632	29
	CA	91067	1.056	158.320	55.656	2.231	191
	CB	85111	7.439	93.180	42.244	2.011	553
	CD1	56722	0.683	120.700	24.673	2.032	212
	CD2	54211	0.280	116.300	24.123	2.117	166
	CG	49465	0.000	75.280	26.805	1.489	364
	N	98225	0.044	627	121.961	7.711	99
LYS	H	87065	0.002	64.423	8.175	0.665	516
	HA	59869	-0.118	32.650	4.258	0.456	653
	HB2	53884	-1.416	10.94	1.774	0.266	872
	HB3	50809	-3.038	9.43	1.746	0.282	847
	HD2	43254	-1.6800	119.620	1.607	0.637	31
	HD3	38859	-2.02	29.047	1.595	0.271	571
	HE2	42548	-0.493	42.02	2.910	0.287	472
	HE3	37524	-0.046	7.344	2.903	0.222	794
	HG2	48719	-1.654	6.7	1.363	0.272	996
	HG3	45005	-1.83	5.575	1.348	0.282	952
	C	53402	0.112	996.253	176.624	5.642	38
	CA	74417	1.155	359.222	56.954	3.174	73
	CB	69482	-26.686	332.988	32.786	2.887	101
	CD	39568	0.834	329.284	28.994	2.613	75
	CE	38170	-0.130	342.334	41.925	3.011	69
	CG	42026	12.109	325.487	24.958	3.098	96
	N	81496	0.041	427.245	121.038	4.659	132
	NZ	326	1.950	177.2	50.363	32.270	2
	QZ	1647	-10.9	10.506	7.337	1.038	44
MET	H	24225	-0.21	177	8.257	1.244	15
	HA	17000	-0.93	313.565	4.411	2.420	1
	HB2	15222	-27.312	33.750	2.024	0.579	85
	HB3	14360	-27.312	12.94	1.995	0.519	108
	HG2	13978	-33.86	32.7	2.378	1.450	44
	HG3	13230	-33.86	31.7	2.352	1.561	49
	ME	10836	-24.86	10.2000	1.774	1.545	84
	C	16013	2.200	183.25	176.200	3.287	5
	CA	22596	25.7283	85.327	56.142	2.286	59
	CB	20886	0.2	332.173	32.973	3.187	52
	CE	9841	0.000	317.645	17.247	4.202	55
	CG	12063	2.30	332.686	32.069	3.214	28
	N	23448	0.000	428.252	120.077	5.071	41
PHE	H	44234	-0.5	12.1759	8.336	0.730	271
	HA	29646	1.33	59.70	4.618	0.723	24
	HB2	27658	-0.463	7.979	2.992	0.381	380
	HB3	26965	-0.212	12.72	2.934	0.400	400
	HD1	23204	0.603	12.154	7.038	0.397	227
	HD2	19637	0.603	12.154	7.039	0.410	198
	HE1	20268	-2.838	14.080	7.063	0.451	168
	HE2	17352	0	12.9	7.061	0.445	162
	HZ	14159	-7.14	43.623	6.993	0.715	115
	C	27804	0.088	184.929	175.450	3.030	9
	CA	38649	4.917	363.618	58.107	3.781	37
	CB	36263	2.161	341.700	39.952	3.566	46
	CD1	13944	7.160	143.4500	131.182	5.935	70
	CD2	9891	7.160	140.309	131.332	4.527	35
	CE1	12145	0.000	149.609	130.330	5.775	61
	CE2	8603	7.472	149.609	130.539	3.990	36
	CG	428	7.229	156.3	137.305	11.566	4
	CZ	9012	7.351	165.611	129.025	4.148	32
	N	41972	0.067	422.843	120.405	5.489	62
PRO	H	1	8.995	8.995	8.995
	H2	5	8.070	9.673	8.756	0.710
	HA	33906	0.636	135.80	4.387	0.796	45
	HB2	31481	-1.501	5.63	2.069	0.371	546
	HB3	30590	-3.48	6.10	1.996	0.383	576
	HD2	29130	-6.56	7.67	3.636	0.446	431
	HD3	28133	-6.56	8.865	3.603	0.467	505
	HG2	28323	-2.35	7.395	1.919	0.341	678
	HG3	26368	-1.520	4.92	1.895	0.351	637
	C	29772	0	183.517	176.638	4.311	30
	CA	42585	0	363.087	63.334	3.599	81
	CB	39722	0	333.586	31.885	3.116	72
	CD	25676	1.155	350.648	50.342	3.178	62
	CG	25581	2.436	327.402	27.272	3.685	44
	N	2162	0.140	430	134.496	24.543	39
SER	H	74986	-15.3	116.95709	8.276	0.718	318
	HA	51693	1.277	58.739	4.476	0.473	440
	HB2	47354	0.61	9.182	3.868	0.277	751
	HB3	44030	0.61	41.7	3.844	0.341	514
	HG	944	0.13	11.36	5.427	1.197	23
	C	48383	0.000	197.1	174.584	3.303	33
	CA	68027	4.331	361.278	58.693	2.776	72
	CB	63121	-939.2800	365.087	63.728	4.902	173
	N	71273	0.000	416.964	116.287	4.222	209
THR	H	66740	0.02	21.7	8.231	0.638	565
	HA	45304	0.87	7.468	4.451	0.478	268
	HB	41603	0.087	71.587	4.168	0.649	84
	HG1	1663	-1.783	11.01	5.212	1.395	40
	MG	41522	-12.1	16.3	1.138	0.278	525
	C	42027	4.780	185.918	174.459	4.005	35
	CA	58799	0.971	92.659	62.210	2.752	109
	CB	54627	-939.2800	629.206	69.592	5.554	165
	CG2	35355	7.177	175.6	21.589	1.904	114
	N	63649	0.0	402	115.391	6.270	66
TRP	H	14559	3.421	17.315	8.267	0.782	96
	HA	9994	2.043	172.573	4.695	1.762	2
	HB2	9456	0.42	5.35	3.178	0.349	145
	HB3	9189	-0.3776	7.972	3.115	0.372	139
	HD1	8420	1.880	10.75	7.128	0.363	129
	HE1	9369	-1.279	131.711	10.096	1.434	39
	HE3	7314	1.85	12.233	7.300	0.522	130
	HH2	7256	2.84	10.900	6.954	0.453	113
	HZ2	7901	2.63	10.81	7.268	0.410	116
	HZ3	7047	0.76	8.898	6.850	0.469	94
	C	8776	2.500	184.30	175.982	5.951	12
	CA	12314	2.966	362.099	57.714	4.741	12
	CB	11475	1.6	328.795	30.085	4.719	23
	CD1	5366	30.236	183.141	126.331	4.437	23
	CD2	188	1.578	155.174	127.131	13.072	2
	CE2	249	56.4176	177.710	137.522	9.553	6
	CE3	4487	-10.872	174.807	120.177	5.499	29
	CG	262	4.174	116.526	110.124	8.960	2
	CH2	4736	-6.333	160.818	123.545	4.983	22
	CZ2	5113	7.107	159.041	114.047	4.574	30
	CZ3	4510	-8.702	161.540	121.160	4.626	22
	N	13314	6.712	423.160	121.647	5.972	13
	NE1	7681	0.53	435.960	129.274	6.244	32
TYR	H	37820	0.02	12.34	8.291	0.739	183
	HA	25543	0.442	7.160	4.610	0.562	211
	HB2	23812	-21.230	23.28	2.898	0.463	198
	HB3	23261	-21.230	23.28	2.834	0.481	245
	HD1	20548	0.190	10.5	6.920	0.372	242
	HD2	17564	0.5522	10.499	6.917	0.376	213
	HE1	19480	0.08	11.8	6.690	0.308	164
	HE2	16757	0.43	11.7	6.690	0.318	148
	HH	446	-0.788	31	9.095	2.089	5
	C	23135	2.200	184.78	175.379	4.626	22
	CA	32272	2.200	357.681	58.140	3.078	26
	CB	29955	18.38	338.686	39.302	3.102	45
	CD1	12564	19.589	141.572	132.374	5.238	67
	CD2	8632	3.492	139.644	132.376	5.271	49
	CE1	12329	40.435	182.764	117.736	4.062	110
	CE2	8501	34.1221	154.10	117.778	3.316	70
	CG	407	7.113	175.115	128.367	12.227	6
	CZ	297	6.839	165.718	155.567	13.498	3
	N	35315	0.2	818	120.729	11.711	35
VAL	H	81649	-0.41	120.980	8.271	0.786	180
	HA	55190	-2.83	54.971	4.167	0.627	128
	HB	51541	-27.480	31.75	1.979	0.447	402
	MG1	52093	-27.2	24.20	0.819	0.332	581
	MG2	51115	-27.2	56.56	0.801	0.428	266
	C	52647	1	205.699	175.637	3.366	28
	CA	72459	20.668	362.057	62.499	3.181	104
	CB	67258	15.597025	331.747	32.715	2.271	145
	CG1	46050	-7.4	321.185	21.539	2.408	91
	CG2	44413	-5.648	320.420	21.340	2.506	92
	N	78666	0.2	529	121.146	7.268	86