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	88749	-0.914	126.4375	8.194	0.753	268
	HA	59808	-2.52	17.870	4.245	0.443	1146
	MB	57687	-14.040	5.48	1.352	0.279	1042
	C	57287	0.037	187.2	177.732	3.745	40
	CA	78679	17.007	354.698	53.163	2.756	89
	CB	74687	-40.993	318.868	19.050	3.043	202
	N	84807	0.049	766	123.353	5.981	94
ARG	H	59256	0.011	178	8.241	1.043	38
	HA	41044	1.212	12.57	4.289	0.468	480
	HB2	37235	-4.78	27.530	1.790	0.310	479
	HB3	35251	-1.320	27.530	1.759	0.322	511
	HD2	32705	-6.44	5.0	3.107	0.266	647
	HD3	29837	-0.690	5.0	3.092	0.285	628
	HE	11087	1.150	116.661	7.449	2.815	7
	HG2	33280	-1.45	4.2	1.558	0.283	613
	HG3	30903	-1.298	5.47	1.539	0.298	642
	HH11	972	4.41	11.7	6.939	0.576	22
	HH12	739	4.41	10.727	6.882	0.544	17
	HH21	833	1.233	11.352	6.826	0.653	19
	HH22	684	1.233	60.1410	6.906	2.138	1
	C	36172	0.174	184.96	176.418	3.336	13
	CA	51200	8.369	358.124	56.781	3.321	57
	CB	47683	16.52	329.120	30.690	2.499	126
	CD	28325	18.9350	342.642	43.200	2.913	46
	CG	28069	12.17	328.290	27.258	3.015	44
	CZ	757	43.199	184.497	160.130	7.376	8
	N	55060	0.125	433.808	120.819	4.737	85
	NE	6961	-23.150	149.1080	90.041	13.678	53
	NH1	283	6.450	124.7890	78.812	13.687	6
	NH2	246	66.2	128.470	78.573	14.096	7
ASN	H	48747	0.008	121.370	8.331	0.967	134
	HA	33696	0.896	7.110	4.660	0.362	467
	HB2	31595	-0.827	8.883	2.800	0.334	497
	HB3	30526	-0.948	5.806	2.743	0.358	513
	HD21	23750	0.783	111.320	7.337	0.845	48
	HD22	23480	0.905	111.320	7.145	0.863	110
	C	30473	0.114	185.3000	175.219	3.529	17
	CA	42971	2.200	354.022	53.545	3.484	28
	CB	40735	1.9620	342.798	38.724	3.562	45
	CG	2715	0.000	185.503	176.237	8.719	11
	N	45856	0.041	426.314	118.934	5.094	29
	ND2	20604	21.038	1114.29	112.901	12.548	11
ASP	H	70398	-0.35	25.876	8.300	0.589	593
	HA	47378	-3.75	8.66	4.584	0.326	688
	HB2	44171	-5.2	37.4	2.716	0.508	77
	HB3	42466	-1.46	37.2	2.667	0.515	105
	HD2	18	1.160	12.30	5.991	3.334
	C	44753	0.106	184.14	176.366	3.534	24
	CA	61974	5.630	354.531	54.692	2.704	68
	CB	58724	9.7	341.273	40.893	2.544	150
	CG	981	2.637	188.215	177.062	18.773	14
	N	67602	0.061	428.093	120.696	4.620	98
CYS	H	24341	3.723	12.660	8.379	0.695	148
	HA	19716	-9.858	43.5	4.679	0.972	59
	HB2	18970	-39.82	363.580	3.133	6.308	41
	HB3	18499	-44.2	363.580	3.054	5.717	43
	HG	257	-1.830	10.700	2.040	1.349	4
	C	11689	1.000	187.591	174.773	3.444	10
	CA	17629	30.6688	90.374	58.019	3.495	24
	CB	16810	17.99	111.008	33.427	6.620	21
	N	19370	-147	628	120.426	18.001	82
GLN	H	50175	0.000	66.542	8.217	0.650	234
	HA	33911	0.403	7.43	4.264	0.432	560
	HB2	30823	-1.514	10.461	2.043	0.276	418
	HB3	29378	-1.4980	20.9	2.013	0.325	355
	HE21	21735	-3.41	23.893	7.219	0.497	190
	HE22	21617	1.025	113.695	7.036	0.874	30
	HG2	28785	-1.76	33.5990	2.314	0.336	338
	HG3	26746	-1.395	34.946	2.293	0.360	370
	C	32290	0.069	1755.998	176.338	9.473	13
	CA	44730	1.733	356.830	56.559	2.622	47
	CB	41917	1.843	328.286	29.194	2.514	128
	CD	2653	6.789	190.624	179.308	7.572	7
	CG	25641	2.097	333.032	33.807	2.544	41
	N	48155	0.000	418.059	119.970	4.157	131
	NE2	19601	33.9	412.160	111.882	2.971	60
GLU	H	91147	0.008	122.9	8.329	0.739	334
	HA	61766	0.433	8.02	4.241	0.412	1111
	HB2	55917	-1.470	4.82	2.018	0.221	804
	HB3	52660	-1.633	8.095	1.995	0.228	767
	HE2	18	0.801	11.96	4.709	2.604
	HG2	51640	-0.674	4.69	2.264	0.221	870
	HG3	48151	-0.10	4.69	2.245	0.224	774
	C	58999	0.074	184.71	176.837	4.240	40
	CA	80518	1.056	360.826	57.330	3.246	75
	CB	75262	9.08	330.834	30.013	3.123	120
	CD	1031	0.000	198.609	181.111	14.713	8
	CG	46391	6.16	337.230	36.143	2.929	65
	N	87821	0.044	422.043	120.720	4.663	116
GLY	H	88090	-15.3	121.881	8.327	0.761	780
	H1	1	8.677	8.677	8.677
	HA2	58999	-3.4	8.64	3.961	0.398	955
	HA3	56180	-3.936	43.9930	3.889	0.438	783
	C	55669	1.000	189.533	173.837	3.393	55
	CA	78220	2.200	344.994	45.378	2.200	170
	N	83063	0.2	791	109.677	6.987	204
HIS	H	25062	-0.3	13.34	8.256	0.732	263
	HA	17848	0.676	11.38	4.616	0.563	230
	HB2	16641	-2.168	45.897	3.158	1.110	129
	HB3	16186	-6.2	38.5	3.099	1.079	140
	HD1	1023	-15	86.5	9.974	8.552	23
	HD2	11757	-25.85	67.8	7.146	3.244	90
	HE1	9241	-26.6	134.811	7.833	2.522	63
	HE2	389	-15	76.4	11.096	7.889	11
	C	15501	1.000	184.204	175.137	4.665	15
	CA	22432	11.40	355.084	56.519	3.385	62
	CB	21045	13.496	329.046	30.320	3.164	60
	CD2	7650	7.19	159.946	119.912	5.653	52
	CE1	5991	8.198	166.282	137.246	5.683	55
	CG	268	18.669	139.83	131.182	9.549	3
	N	23468	0.2	427.146	119.669	5.228	41
	ND1	816	31.026	261.013	193.109	32.573	2
	NE2	754	17.0	257.572	180.840	20.342	20
ILE	H	61312	0.008	11.871	8.262	0.692	297
	HA	41695	-9.0	173.538	4.166	1.003	7
	HB	39247	-2.442	38.700	1.783	0.397	215
	HG12	35676	-10.1	5.56	1.263	0.452	273
	HG13	34328	-10.1	9.71	1.193	0.484	255
	MD	39733	-4.15	13.891	0.672	0.331	633
	MG	37583	-3.919	6.23	0.768	0.305	595
	C	39169	0	187.551	175.805	4.480	29
	CA	54345	20.877	362.184	61.628	3.343	64
	CB	50694	-34.477	339.785	38.579	2.904	83
	CD1	35807	2.7	314.600	13.502	3.453	111
	CG1	31859	8.0	329.288	27.757	3.319	139
	CG2	33785	0.79	317.615	17.605	3.217	103
	N	58689	0.0000	531	121.423	6.004	89
LEU	H	101582	-0.3	119.596	8.219	0.739	311
	HA	68809	0.000	119.411	4.303	0.641	72
	HB2	63255	-1.522	8.02	1.607	0.359	816
	HB3	60717	-1.79	8.39	1.523	0.376	873
	HG	55957	-2.08	5.7	1.503	0.348	686
	MD1	64380	-3.42	30.176	0.748	0.330	992
	MD2	61864	-3.42	24.504	0.728	0.357	787
	C	64977	0.071	189.78	176.995	3.650	29
	CA	89988	1.056	158.320	55.655	2.234	191
	CB	84158	7.439	93.180	42.245	2.013	547
	CD1	56130	0.683	120.700	24.673	2.037	210
	CD2	53544	0.280	116.300	24.120	2.120	164
	CG	49148	0.000	75.280	26.805	1.487	362
	N	96898	0.044	627	121.947	7.700	73
LYS	H	85988	0.002	64.423	8.174	0.666	507
	HA	59435	-0.118	32.650	4.258	0.456	652
	HB2	53511	-1.416	10.94	1.774	0.266	870
	HB3	50446	-3.038	9.43	1.746	0.283	839
	HD2	42957	-1.6800	119.620	1.607	0.639	30
	HD3	38556	-2.02	29.047	1.595	0.271	570
	HE2	42245	-0.493	42.02	2.911	0.288	468
	HE3	37261	-0.046	7.344	2.903	0.223	792
	HG2	48390	-1.654	6.7	1.363	0.272	988
	HG3	44670	-1.83	5.575	1.348	0.282	941
	C	52666	0.112	996.253	176.622	5.677	38
	CA	73508	1.155	359.222	56.953	3.185	71
	CB	68630	-26.686	332.988	32.788	2.900	99
	CD	39242	0.834	329.284	28.995	2.623	75
	CE	37869	-0.130	342.334	41.926	3.022	68
	CG	41674	12.109	325.487	24.960	3.110	96
	N	80406	0.041	427.245	121.038	4.670	129
	NZ	305	1.950	177.2	51.691	32.946	2
	QZ	1640	-10.9	10.506	7.338	1.040	44
MET	H	23968	-0.21	177	8.258	1.249	15
	HA	16904	-0.93	313.565	4.410	2.426	1
	HB2	15149	-27.312	33.750	2.024	0.580	85
	HB3	14290	-27.312	12.94	1.995	0.520	106
	HG2	13909	-33.86	32.7	2.377	1.454	44
	HG3	13166	-33.86	31.7	2.352	1.565	49
	ME	10742	-24.86	10.2000	1.775	1.552	83
	C	15817	2.200	183.25	176.200	3.301	5
	CA	22353	25.7283	85.327	56.146	2.288	59
	CB	20663	0.2	332.173	32.973	3.196	49
	CE	9752	0.000	317.645	17.249	4.220	54
	CG	11996	2.30	332.686	32.071	3.222	28
	N	23183	0.000	428.252	120.065	4.964	36
PHE	H	43726	-0.5	12.1759	8.336	0.731	268
	HA	29423	1.33	59.70	4.618	0.724	24
	HB2	27447	-0.463	7.979	2.992	0.381	377
	HB3	26771	-0.212	12.72	2.935	0.400	393
	HD1	23047	0.603	12.154	7.038	0.398	224
	HD2	19505	0.603	12.154	7.039	0.411	195
	HE1	20138	-2.838	14.080	7.062	0.451	168
	HE2	17239	0	12.9	7.061	0.446	161
	HZ	14087	-7.14	43.623	6.993	0.716	115
	C	27409	0.088	184.929	175.448	3.044	9
	CA	38190	4.917	363.618	58.107	3.794	37
	CB	35845	2.161	341.700	39.953	3.582	45
	CD1	13858	7.160	143.4500	131.178	5.953	70
	CD2	9834	7.160	140.309	131.330	4.540	35
	CE1	12080	0.000	149.609	130.326	5.790	61
	CE2	8562	7.472	149.609	130.535	3.998	36
	CG	427	7.229	156.3	137.316	11.577	4
	CZ	8971	7.351	165.611	129.022	4.157	32
	N	41440	0.067	422.843	120.392	5.431	52
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	33672	0.636	135.80	4.387	0.798	45
	HB2	31273	-1.501	5.63	2.070	0.370	546
	HB3	30382	-3.48	6.10	1.996	0.383	573
	HD2	28944	-6.56	7.67	3.637	0.446	429
	HD3	27955	-6.56	8.865	3.602	0.467	503
	HG2	28143	-2.35	7.395	1.919	0.341	670
	HG3	26191	-1.520	4.92	1.895	0.350	636
	C	29370	0	183.517	176.636	4.337	30
	CA	42073	0	363.087	63.335	3.617	81
	CB	39230	0	333.586	31.887	3.133	72
	CD	25478	1.155	350.648	50.344	3.188	61
	CG	25390	2.436	327.402	27.274	3.696	44
	N	2104	3.566	430	134.565	24.687	38
SER	H	73994	-15.3	116.95709	8.277	0.720	310
	HA	51338	1.277	58.739	4.476	0.474	437
	HB2	47026	0.61	9.182	3.868	0.278	735
	HB3	43727	0.61	41.7	3.844	0.342	508
	HG	940	0.13	11.36	5.429	1.199	23
	C	47712	0.000	197.1	174.588	3.223	34
	CA	67138	4.331	361.278	58.694	2.786	71
	CB	62293	-939.2800	365.087	63.725	4.933	173
	N	70266	0.000	416.964	116.293	4.235	203
THR	H	65877	0.02	21.7	8.232	0.639	556
	HA	44969	0.87	7.468	4.450	0.478	269
	HB	41278	0.087	71.587	4.168	0.651	82
	HG1	1653	-1.783	11.01	5.211	1.398	40
	MG	41211	-12.1	16.3	1.138	0.278	522
	C	41432	4.780	185.918	174.459	4.028	35
	CA	58023	0.971	92.659	62.213	2.757	108
	CB	53884	-939.2800	629.206	69.590	5.586	164
	CG2	35028	7.177	175.6	21.591	1.910	113
	N	62764	0.0	402	115.396	6.291	65
TRP	H	14406	3.421	17.315	8.268	0.782	95
	HA	9914	2.043	172.573	4.695	1.768	2
	HB2	9383	0.42	5.35	3.178	0.349	145
	HB3	9121	-0.3776	7.972	3.115	0.372	138
	HD1	8365	1.880	10.75	7.128	0.363	129
	HE1	9306	-1.279	131.711	10.095	1.438	39
	HE3	7268	1.85	12.233	7.299	0.523	129
	HH2	7209	2.84	10.900	6.953	0.454	111
	HZ2	7852	2.63	10.81	7.268	0.410	116
	HZ3	7008	0.76	8.898	6.850	0.470	93
	C	8652	2.500	184.30	175.980	5.988	12
	CA	12170	2.966	362.099	57.710	4.761	12
	CB	11350	1.6	328.795	30.085	4.741	23
	CD1	5335	30.236	183.141	126.331	4.448	23
	CD2	187	1.578	155.174	127.124	13.106	2
	CE2	248	56.4176	177.710	137.538	9.569	6
	CE3	4462	-10.872	174.807	120.175	5.514	29
	CG	260	4.174	116.526	110.120	8.994	2
	CH2	4710	-6.333	160.818	123.542	4.996	22
	CZ2	5086	7.107	159.041	114.044	4.585	30
	CZ3	4486	-8.702	161.540	121.156	4.637	22
	N	13171	6.712	423.160	121.650	5.992	13
	NE1	7632	0.53	435.960	129.271	6.262	32
TYR	H	37389	0.02	12.34	8.293	0.739	182
	HA	25369	0.442	7.160	4.609	0.562	211
	HB2	23645	-21.230	23.28	2.898	0.464	197
	HB3	23113	-21.230	23.28	2.834	0.482	241
	HD1	20430	0.190	10.5	6.920	0.372	241
	HD2	17464	0.5522	10.499	6.916	0.376	213
	HE1	19374	0.08	11.8	6.690	0.308	164
	HE2	16665	0.43	11.7	6.690	0.319	148
	HH	444	-0.788	31	9.100	2.092	5
	C	22835	2.200	184.78	175.376	4.652	22
	CA	31909	2.200	357.681	58.140	3.085	25
	CB	29626	18.38	338.686	39.303	3.112	44
	CD1	12497	19.589	141.572	132.372	5.250	67
	CD2	8589	3.492	139.644	132.373	5.283	49
	CE1	12270	40.435	182.764	117.735	4.071	110
	CE2	8464	34.1221	154.10	117.776	3.323	69
	CG	397	7.113	175.115	128.323	12.376	6
	CZ	289	6.839	165.718	155.531	13.683	3
	N	34886	0.2	818	120.735	11.775	35
VAL	H	80445	-0.41	120.980	8.270	0.788	172
	HA	54771	-2.83	54.971	4.167	0.628	127
	HB	51145	-27.480	31.75	1.980	0.448	397
	MG1	51575	-27.2	24.20	0.820	0.332	572
	MG2	50578	-27.2	56.56	0.802	0.429	255
	C	51862	1	205.699	175.636	3.385	28
	CA	71480	20.668	362.057	62.500	3.187	104
	CB	66353	15.597025	331.747	32.713	2.278	144
	CG1	45507	-7.4	321.185	21.543	2.418	90
	CG2	43861	-5.648	320.420	21.344	2.516	92
	N	77433	0.2	529	121.142	7.304	83