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
ALA	H	85901	-0.914	69.229	8.193	0.640
	HA	58648	-2.52	17.870	4.245	0.443
	MB	56423	-14.040	5.48	1.352	0.280
	C	55482	0.037	187.2	177.726	3.789
	CA	76091	17.007	354.698	53.167	2.780
	CB	72114	-40.993	318.868	19.055	3.076
	N	81998	0.049	766	123.353	6.049
ARG	H	57154	0.011	178	8.241	1.057
	HA	40094	1.212	12.57	4.290	0.469
	HB2	36423	-4.78	27.530	1.790	0.310
	HB3	34463	-1.320	27.530	1.759	0.322
	HD2	31972	-6.44	5.0	3.107	0.266
	HD3	29139	-0.690	5.0	3.091	0.285
	HE	10844	1.150	116.661	7.452	2.844
	HG2	32555	-1.45	4.2	1.559	0.284
	HG3	30223	-1.298	5.47	1.539	0.298
	HH11	970	4.41	11.7	6.938	0.576
	HH12	739	4.41	10.727	6.882	0.543
	HH21	824	1.233	11.352	6.825	0.653
	HH22	677	1.233	60.1410	6.908	2.147
	C	34979	0.174	184.96	176.412	3.375
	CA	49362	8.369	358.124	56.784	3.354
	CB	45988	16.52	329.120	30.697	2.517
	CD	27630	18.9350	342.642	43.201	2.944
	CG	27383	12.17	328.290	27.261	3.048
	CZ	737	43.199	184.497	160.141	7.470
	N	53013	0.125	433.808	120.812	4.776
	NE	6840	-23.150	149.1080	90.107	13.762
	NH1	282	6.450	124.7890	78.547	13.382
	NH2	241	66.2	128.470	78.564	14.079
ASN	H	47068	0.008	121.370	8.331	0.976
	HA	33025	0.896	7.110	4.661	0.362
	HB2	30978	-0.773	8.883	2.800	0.333
	HB3	29916	-0.948	5.806	2.742	0.360
	HD21	23324	0.783	111.320	7.337	0.850
	HD22	23058	0.905	111.320	7.145	0.868
	C	29454	0.114	185.3000	175.212	3.575
	CA	41508	2.200	354.022	53.546	3.528
	CB	39367	1.9620	342.798	38.728	3.602
	CG	2672	0.000	185.503	176.400	7.154
	N	44185	0.041	426.314	118.936	5.132
	ND2	20208	21.038	1114.29	112.908	12.668
ASP	H	67858	-0.35	25.876	8.300	0.590
	HA	46411	-3.75	8.66	4.585	0.327
	HB2	43311	-5.2	37.4	2.716	0.512
	HB3	41639	-1.46	37.2	2.667	0.518
	HD2	18	1.160	12.30	5.991	3.334
	C	43289	0.106	184.14	176.358	3.581
	CA	59871	5.630	354.531	54.689	2.726
	CB	56717	9.7	341.273	40.896	2.563
	CG	947	2.637	188.215	177.844	15.234
	N	65091	0.061	428.093	120.700	4.656
CYS	H	23632	3.723	12.660	8.380	0.696
	HA	19299	-9.858	43.5	4.680	0.978
	HB2	18588	-39.82	363.580	3.135	6.371
	HB3	18117	-44.2	363.580	3.056	5.776
	HG	249	-1.830	10.700	2.007	1.342
	C	11327	1.000	187.591	174.772	3.477
	CA	17022	30.6688	82.3	58.021	3.460
	CB	16228	17.99	73.920	33.378	6.525
	N	18714	-147	628	120.447	18.298
GLN	H	48262	0.000	66.542	8.217	0.654
	HA	33226	0.403	7.43	4.265	0.433
	HB2	30233	-1.514	10.461	2.043	0.276
	HB3	28810	-1.4980	20.9	2.013	0.326
	HE21	21340	-3.41	23.893	7.219	0.498
	HE22	21223	1.025	113.695	7.035	0.880
	HG2	28247	-1.76	33.5990	2.313	0.338
	HG3	26242	-1.395	34.946	2.293	0.362
	C	31042	0.069	1755.998	176.334	9.656
	CA	43078	1.733	356.830	56.560	2.644
	CB	40386	1.843	328.286	29.195	2.531
	CD	2598	6.789	190.624	179.348	7.039
	CG	25088	2.097	333.032	33.808	2.565
	N	46236	0.000	418.059	119.968	4.187
	NE2	19235	33.9	412.160	111.878	2.988
GLU	H	88140	0.008	122.9	8.330	0.745
	HA	60578	0.433	8.02	4.242	0.413
	HB2	54844	-1.470	4.82	2.018	0.222
	HB3	51640	-1.633	8.095	1.994	0.229
	HE2	18	0.801	11.96	4.709	2.604
	HG2	50653	-0.674	4.69	2.264	0.222
	HG3	47217	-0.10	4.69	2.245	0.224
	C	57158	0.074	184.71	176.825	4.295
	CA	77965	1.056	360.826	57.325	3.278
	CB	72883	9.08	330.834	30.022	3.157
	CD	998	0.000	198.609	181.058	14.948
	CG	45414	6.16	337.230	36.144	2.956
	N	84812	0.044	422.043	120.719	4.703
GLY	H	85104	-15.3	121.881	8.327	0.767
	HA2	57722	-3.4	8.64	3.961	0.399
	HA3	54967	-3.936	7.69	3.887	0.406
	C	53878	1.000	189.533	173.834	3.436
	CA	75528	2.200	344.994	45.377	2.224
	N	80117	0.2	791	109.677	7.083
HIS	H	24129	-0.3	13.34	8.257	0.732
	HA	17478	0.676	11.38	4.617	0.566
	HB2	16320	-2.168	45.897	3.159	1.120
	HB3	15871	-6.2	38.5	3.099	1.089
	HD1	1016	-15	86.5	9.995	8.576
	HD2	11572	-25.85	67.8	7.148	3.269
	HE1	9101	-26.6	134.811	7.829	2.540
	HE2	387	-15	76.4	11.111	7.906
	C	14960	1.000	184.204	175.129	4.733
	CA	21647	11.40	355.084	56.519	3.416
	CB	20316	13.496	329.046	30.325	3.185
	CD2	7509	7.19	159.946	119.912	5.693
	CE1	5887	8.198	166.282	137.246	5.724
	CG	264	60.973	139.83	131.546	6.634
	N	22557	0.2	427.146	119.659	5.252
	ND1	806	31.026	261.013	193.294	32.731
	NE2	744	17.0	257.572	180.931	20.462
ILE	H	59203	0.008	11.871	8.263	0.693
	HA	40862	-9.0	173.538	4.167	1.010
	HB	38472	-2.442	38.700	1.782	0.400
	HG12	34957	-10.1	5.56	1.263	0.453
	HG13	33628	-10.1	9.71	1.192	0.485
	MD	38718	-4.15	13.891	0.671	0.333
	MG	36765	-3.919	6.23	0.768	0.306
	C	37955	0	187.551	175.795	4.540
	CA	52576	20.877	362.184	61.621	3.362
	CB	49061	-34.477	339.785	38.586	2.932
	CD1	34799	2.7	314.600	13.505	3.484
	CG1	31092	8.0	329.288	27.755	3.350
	CG2	32973	0.79	317.615	17.608	3.251
	N	56602	0.0000	531	121.425	6.064
LEU	H	98030	-0.3	13.220	8.218	0.650
	HA	67384	0.000	119.411	4.303	0.645
	HB2	61955	-1.522	8.02	1.607	0.360
	HB3	59473	-1.79	8.39	1.523	0.376
	HG	54884	-2.08	5.7	1.502	0.348
	MD1	62781	-3.42	30.176	0.748	0.331
	MD2	60471	-3.42	24.504	0.727	0.359
	C	62958	0.071	189.78	176.986	3.695
	CA	86979	1.056	158.320	55.653	2.236
	CB	81343	7.439	93.180	42.253	2.014
	CD1	54569	0.683	120.700	24.671	2.048
	CD2	52186	0.280	116.300	24.120	2.127
	CG	48034	0.000	75.280	26.806	1.496
	N	93389	0.044	627	121.958	7.794
LYS	H	82914	0.002	64.423	8.175	0.669
	HA	58247	-0.118	32.650	4.259	0.457
	HB2	52464	-1.416	10.94	1.774	0.266
	HB3	49455	-3.038	9.43	1.746	0.283
	HD2	42165	-1.6800	119.620	1.607	0.645
	HD3	37817	-2.02	29.047	1.595	0.273
	HE2	41430	-0.493	42.02	2.911	0.289
	HE3	36499	-0.046	7.344	2.903	0.223
	HG2	47470	-1.654	6.7	1.362	0.272
	HG3	43781	-1.83	5.575	1.348	0.283
	C	50951	0.112	996.253	176.609	5.762
	CA	71043	1.155	359.222	56.946	3.214
	CB	66329	-26.686	332.988	32.795	2.931
	CD	38387	0.834	329.284	28.997	2.646
	CE	37038	-0.130	342.334	41.926	3.053
	CG	40741	12.109	325.487	24.961	3.141
	N	77360	0.041	427.245	121.045	4.707
	NZ	301	1.950	177.2	51.354	32.637
	QZ	1608	-10.9	10.506	7.338	1.048
MET	H	23119	-0.21	177	8.258	1.267
	HA	16548	-0.93	313.565	4.411	2.451
	HB2	14832	-27.312	33.750	2.024	0.585
	HB3	13994	-27.312	12.94	1.995	0.523
	HG2	13617	-33.86	32.7	2.375	1.468
	HG3	12892	-33.86	31.7	2.350	1.580
	ME	10495	-24.86	10.2000	1.773	1.569
	C	15257	2.200	183.25	176.194	3.337
	CA	21583	25.7283	85.327	56.145	2.290
	CB	19957	0.2	332.173	32.978	3.233
	CE	9503	0.000	317.645	17.261	4.270
	CG	11708	2.30	332.686	32.077	3.255
	N	22326	0.000	428.252	120.054	5.015
PHE	H	42227	-0.5	12.1759	8.336	0.731
	HA	28856	1.33	59.70	4.618	0.728
	HB2	26928	-0.463	7.979	2.992	0.381
	HB3	26268	-0.212	12.72	2.934	0.400
	HD1	22644	0.603	12.154	7.037	0.399
	HD2	19129	0.603	12.154	7.038	0.413
	HE1	19774	-2.838	14.080	7.061	0.454
	HE2	16897	0	12.9	7.059	0.449
	HZ	13872	-7.14	43.623	6.993	0.720
	C	26529	0.088	184.929	175.444	3.077
	CA	36950	4.917	363.618	58.102	3.831
	CB	34683	2.161	341.700	39.960	3.622
	CD1	13562	7.160	143.4500	131.177	5.947
	CD2	9631	7.160	140.309	131.333	4.459
	CE1	11805	0.000	149.609	130.325	5.794
	CE2	8357	7.472	149.609	130.542	3.917
	CG	414	7.229	152.844	137.504	10.264
	CZ	8794	7.351	165.611	129.014	4.194
	N	39987	0.067	422.843	120.392	5.477
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	33033	0.636	135.80	4.388	0.804
	HB2	30715	-1.501	5.63	2.070	0.371
	HB3	29827	-3.48	6.10	1.996	0.382
	HD2	28420	-6.56	7.67	3.636	0.448
	HD3	27446	-6.56	8.865	3.602	0.469
	HG2	27632	-2.35	7.395	1.919	0.342
	HG3	25714	-1.520	4.92	1.894	0.350
	C	28398	0	183.517	176.628	4.403
	CA	40688	0	363.087	63.332	3.625
	CB	37952	0	333.586	31.888	3.169
	CD	24924	1.155	350.648	50.344	3.217
	CG	24823	2.436	327.402	27.277	3.734
	N	1980	3.566	430	134.554	25.313
SER	H	71334	-15.3	116.95709	8.278	0.725
	HA	50334	1.277	58.739	4.477	0.475
	HB2	46134	0.61	9.182	3.867	0.278
	HB3	42871	0.61	41.7	3.843	0.344
	HG	917	0.13	11.36	5.429	1.191
	C	46150	0.000	197.1	174.588	3.264
	CA	64888	4.331	361.278	58.698	2.807
	CB	60242	-939.2800	365.087	63.728	4.991
	N	67616	0.000	416.964	116.295	4.267
THR	H	63695	0.02	21.7	8.234	0.639
	HA	44125	0.87	7.468	4.451	0.479
	HB	40528	0.087	71.587	4.168	0.656
	HG1	1613	-1.783	11.01	5.213	1.406
	MG	40400	-12.1	16.3	1.138	0.279
	C	40073	4.780	185.918	174.454	4.084
	CA	56101	0.971	92.659	62.214	2.756
	CB	52120	-939.2800	629.206	69.596	5.658
	CG2	34253	7.177	175.6	21.595	1.919
	N	60599	0.0	402	115.405	6.335
TRP	H	13971	3.421	17.315	8.269	0.781
	HA	9752	2.043	11.414	4.678	0.534
	HB2	9234	0.42	5.35	3.179	0.350
	HB3	8979	-0.3776	7.972	3.116	0.373
	HD1	8242	1.880	10.75	7.128	0.364
	HE1	9154	-1.279	131.711	10.093	1.449
	HE3	7162	1.85	12.233	7.299	0.525
	HH2	7104	2.84	10.900	6.952	0.456
	HZ2	7736	2.63	10.81	7.267	0.412
	HZ3	6905	0.76	8.898	6.848	0.473
	C	8399	2.500	184.30	175.971	6.069
	CA	11796	2.966	362.099	57.715	4.815
	CB	11007	1.6	328.795	30.088	4.789
	CD1	5252	30.236	183.141	126.321	4.478
	CD2	184	1.578	155.174	127.071	13.207
	CE2	242	56.4176	177.710	137.577	9.610
	CE3	4391	-10.872	174.807	120.172	5.556
	CG	254	4.174	116.526	110.081	9.093
	CH2	4639	-6.333	160.818	123.537	5.032
	CZ2	5005	7.107	159.041	114.036	4.618
	CZ3	4417	-8.702	161.540	121.149	4.668
	N	12742	6.712	423.160	121.655	6.044
	NE1	7500	0.53	435.960	129.267	6.311
TYR	H	36092	0.02	12.34	8.295	0.740
	HA	24896	0.442	7.160	4.610	0.563
	HB2	23230	-21.230	23.28	2.898	0.466
	HB3	22705	-21.230	23.28	2.833	0.484
	HD1	20093	0.190	10.5	6.920	0.373
	HD2	17157	0.5522	10.499	6.916	0.378
	HE1	19058	0.08	11.8	6.690	0.309
	HE2	16378	0.43	11.7	6.690	0.320
	HH	440	-0.788	31	9.116	2.090
	C	22092	2.200	184.78	175.364	4.716
	CA	30834	2.200	357.681	58.142	3.103
	CB	28641	18.38	338.686	39.312	3.137
	CD1	12254	19.589	141.572	132.372	5.178
	CD2	8418	3.492	139.644	132.380	5.157
	CE1	12042	40.435	182.764	117.729	4.108
	CE2	8295	34.1221	154.10	117.771	3.355
	CG	383	7.113	175.115	128.664	9.978
	CZ	282	6.839	165.718	155.468	13.845
	N	33611	0.2	818	120.761	11.970
VAL	H	77777	-0.41	120.980	8.272	0.792
	HA	53741	-2.83	54.971	4.168	0.629
	HB	50189	-27.480	31.75	1.979	0.451
	MG1	50414	-27.2	24.20	0.819	0.333
	MG2	49518	-27.2	56.56	0.801	0.432
	C	50283	1	205.699	175.629	3.422
	CA	69167	20.668	362.057	62.498	3.199
	CB	64199	15.597025	331.747	32.719	2.288
	CG1	44373	-7.4	321.185	21.546	2.438
	CG2	42833	-5.648	320.420	21.347	2.535
	N	74785	0.2	529	121.148	7.390