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	84360	-0.914	69.229	8.193	0.641
	HA	57896	-2.52	17.870	4.245	0.444
	MB	55728	-14.040	5.48	1.352	0.280
	C	54364	0.037	187.2	177.723	3.815
	CA	74686	17.007	354.698	53.166	2.791
	CB	70715	-40.993	318.868	19.054	3.094
	N	80433	0.049	766	123.351	6.089
ARG	H	56145	0.011	178	8.242	1.064
	HA	39577	1.212	12.57	4.290	0.470
	HB2	35984	-4.78	27.530	1.790	0.311
	HB3	34046	-1.320	27.530	1.759	0.323
	HD2	31607	-6.44	5.0	3.107	0.267
	HD3	28801	-0.690	5.0	3.091	0.286
	HE	10741	1.150	116.661	7.452	2.857
	HG2	32190	-1.45	4.2	1.558	0.284
	HG3	29889	-1.298	5.47	1.539	0.299
	HH11	967	4.41	11.7	6.938	0.577
	HH12	737	4.41	10.727	6.881	0.544
	HH21	823	1.233	11.352	6.826	0.653
	HH22	676	1.233	60.1410	6.908	2.149
	C	34325	0.174	184.96	176.409	3.395
	CA	48469	8.369	358.124	56.784	3.371
	CB	45139	16.52	329.120	30.696	2.528
	CD	27244	18.9350	342.642	43.202	2.962
	CG	26991	12.17	328.290	27.264	3.066
	CZ	729	43.199	184.497	160.127	7.495
	N	52006	0.125	433.808	120.809	4.799
	NE	6770	-23.150	149.1080	90.092	13.753
	NH1	282	6.450	124.7890	78.547	13.382
	NH2	241	66.2	128.470	78.564	14.079
ASN	H	46209	0.008	121.370	8.331	0.982
	HA	32597	0.896	7.110	4.661	0.363
	HB2	30633	-0.773	8.883	2.800	0.334
	HB3	29582	-0.948	5.806	2.742	0.360
	HD21	23096	0.783	111.320	7.337	0.853
	HD22	22832	0.905	111.320	7.144	0.871
	C	28907	0.114	185.3000	175.210	3.600
	CA	40730	2.200	354.022	53.543	3.551
	CB	38600	1.9620	342.798	38.727	3.631
	CG	2627	0.000	185.503	176.395	7.212
	N	43317	0.041	426.314	118.930	5.161
	ND2	19991	21.038	1114.29	112.912	12.734
ASP	H	66644	-0.35	25.876	8.300	0.591
	HA	45827	-3.75	8.66	4.586	0.328
	HB2	42827	-5.2	37.4	2.716	0.514
	HB3	41166	-1.46	37.2	2.667	0.521
	HD2	18	1.160	12.30	5.991	3.334
	C	42417	0.106	184.14	176.358	3.610
	CA	58766	5.630	354.531	54.686	2.738
	CB	55651	9.7	341.273	40.894	2.577
	CG	896	2.637	188.215	177.809	15.656
	N	63846	0.061	428.093	120.696	4.674
CYS	H	23253	3.723	12.660	8.379	0.697
	HA	19037	-9.858	43.5	4.680	0.983
	HB2	18364	-39.82	363.580	3.138	6.410
	HB3	17895	-44.2	363.580	3.057	5.811
	HG	243	-1.830	10.700	2.014	1.351
	C	11183	1.000	187.591	174.774	3.493
	CA	16760	30.6688	82.3	58.025	3.458
	CB	15973	17.99	73.920	33.364	6.516
	N	18399	-147	628	120.452	18.445
GLN	H	47418	0.000	66.542	8.217	0.656
	HA	32826	0.403	7.43	4.265	0.433
	HB2	29907	-1.514	10.461	2.043	0.277
	HB3	28492	-1.4980	20.9	2.013	0.327
	HE21	21108	-3.41	23.893	7.218	0.499
	HE22	20991	1.025	113.695	7.036	0.884
	HG2	27940	-1.76	33.5990	2.313	0.339
	HG3	25947	-1.395	34.946	2.293	0.363
	C	30473	0.069	1755.998	176.333	9.742
	CA	42337	1.733	356.830	56.561	2.653
	CB	39663	1.843	328.286	29.194	2.537
	CD	2561	6.789	190.624	179.346	7.087
	CG	24770	2.097	333.032	33.809	2.578
	N	45387	0.000	418.059	119.961	4.199
	NE2	19009	33.9	412.160	111.879	3.002
GLU	H	86466	0.008	122.9	8.330	0.749
	HA	59801	0.433	8.02	4.242	0.414
	HB2	54204	-1.470	4.82	2.018	0.222
	HB3	51033	-1.633	8.095	1.994	0.229
	HE2	15	0.801	11.96	5.088	2.703
	HG2	50090	-0.674	4.69	2.263	0.222
	HG3	46693	-0.10	4.69	2.245	0.225
	C	55991	0.074	184.71	176.819	4.330
	CA	76492	1.056	360.826	57.325	3.297
	CB	71446	9.08	330.834	30.024	3.181
	CD	944	0.000	198.609	180.999	15.364
	CG	44829	6.16	337.230	36.145	2.971
	N	83120	0.044	422.043	120.715	4.731
GLY	H	83606	-15.3	121.881	8.327	0.770
	HA2	56990	-3.4	8.64	3.961	0.400
	HA3	54272	-3.936	7.69	3.887	0.407
	C	52859	1.000	189.533	173.834	3.461
	CA	74223	2.200	344.994	45.378	2.233
	N	78634	0.2	791	109.675	7.132
HIS	H	23779	-0.3	13.34	8.258	0.734
	HA	17277	0.676	11.38	4.618	0.568
	HB2	16141	-2.168	45.897	3.160	1.125
	HB3	15692	-6.2	38.5	3.101	1.094
	HD1	1010	-15	86.5	10.009	8.599
	HD2	11479	-25.85	67.8	7.150	3.282
	HE1	9032	-26.6	134.811	7.828	2.550
	HE2	386	-15	76.4	11.110	7.916
	C	14746	1.000	184.204	175.125	4.763
	CA	21328	11.40	355.084	56.522	3.430
	CB	20016	13.496	329.046	30.324	3.199
	CD2	7427	7.19	159.946	119.911	5.708
	CE1	5832	8.198	166.282	137.243	5.748
	CG	230	60.973	139.83	131.350	7.033
	N	22198	0.2	427.146	119.654	5.274
	ND1	801	31.026	261.013	193.421	32.736
	NE2	740	17.0	257.572	180.919	20.514
ILE	H	58134	0.008	11.871	8.263	0.694
	HA	40366	-9.0	173.538	4.168	1.015
	HB	38062	-2.442	38.700	1.782	0.401
	HG12	34601	-10.1	5.56	1.262	0.454
	HG13	33291	-10.1	9.71	1.191	0.486
	MD	38155	-4.15	13.891	0.671	0.334
	MG	36394	-3.919	6.23	0.768	0.306
	C	37271	0	187.551	175.788	4.574
	CA	51635	20.877	362.184	61.617	3.370
	CB	48203	-34.477	339.785	38.588	2.946
	CD1	34208	2.7	314.600	13.510	3.507
	CG1	30693	8.0	329.288	27.757	3.365
	CG2	32568	0.79	317.615	17.611	3.267
	N	55536	0.0000	531	121.423	6.094
LEU	H	96298	-0.3	13.220	8.219	0.651
	HA	66524	0.000	119.411	4.304	0.647
	HB2	61217	-1.522	8.02	1.607	0.360
	HB3	58763	-1.79	8.39	1.523	0.377
	HG	54261	-2.08	5.7	1.501	0.348
	MD1	61954	-3.42	30.176	0.748	0.332
	MD2	59599	-3.42	24.504	0.726	0.360
	C	61829	0.071	189.78	176.985	3.718
	CA	85469	1.056	158.320	55.650	2.237
	CB	79927	7.439	93.180	42.254	2.019
	CD1	53747	0.683	120.700	24.676	2.053
	CD2	51303	0.280	116.300	24.118	2.135
	CG	47348	0.000	75.280	26.808	1.500
	N	91657	0.044	627	121.959	7.851
LYS	H	81324	0.002	64.423	8.175	0.670
	HA	57467	-0.118	32.650	4.259	0.459
	HB2	51822	-1.416	10.94	1.773	0.267
	HB3	48850	-3.038	9.43	1.745	0.283
	HD2	41681	-1.6800	119.620	1.607	0.648
	HD3	37341	-2.02	29.047	1.595	0.273
	HE2	40960	-0.493	42.02	2.910	0.290
	HE3	36055	-0.046	7.344	2.902	0.224
	HG2	46910	-1.654	6.7	1.362	0.273
	HG3	43248	-1.83	5.575	1.347	0.283
	C	49949	0.112	996.253	176.605	5.813
	CA	69746	1.155	359.222	56.944	3.228
	CB	65107	-26.686	332.988	32.798	2.950
	CD	37858	0.834	329.284	28.999	2.662
	CE	36523	-0.130	342.334	41.927	3.073
	CG	40179	12.109	325.487	24.964	3.160
	N	75811	0.041	427.245	121.044	4.726
	NZ	293	1.950	177.2	49.651	31.376
	QZ	1587	-10.9	10.506	7.334	1.055
MET	H	22729	-0.21	177	8.258	1.277
	HA	16333	-0.93	313.565	4.411	2.467
	HB2	14654	-27.312	33.750	2.023	0.587
	HB3	13827	-27.312	12.94	1.994	0.526
	HG2	13454	-33.86	32.7	2.374	1.477
	HG3	12741	-33.86	31.7	2.349	1.589
	ME	10364	-24.86	10.2000	1.771	1.578
	C	14947	2.200	183.25	176.193	3.358
	CA	21192	25.7283	85.327	56.143	2.291
	CB	19583	0.2	332.173	32.975	3.246
	CE	9331	0.000	317.645	17.254	4.290
	CG	11513	2.30	332.686	32.077	3.269
	N	21902	0.000	428.252	120.054	5.046
PHE	H	41553	-0.5	12.1759	8.337	0.732
	HA	28527	1.33	59.70	4.618	0.730
	HB2	26657	-0.463	7.979	2.992	0.381
	HB3	26001	-0.212	12.72	2.934	0.400
	HD1	22431	0.603	12.154	7.037	0.400
	HD2	18950	0.603	12.154	7.038	0.413
	HE1	19589	-2.838	14.080	7.062	0.455
	HE2	16737	0	12.9	7.059	0.450
	HZ	13750	-7.14	43.623	6.993	0.722
	C	26108	0.088	184.929	175.446	3.091
	CA	36351	4.917	363.618	58.107	3.847
	CB	34128	2.161	341.700	39.959	3.642
	CD1	13412	7.160	143.4500	131.176	5.977
	CD2	9545	7.160	138.7	131.334	4.475
	CE1	11665	0.000	149.609	130.322	5.827
	CE2	8288	7.472	149.609	130.543	3.932
	CG	386	7.229	152.844	137.502	10.612
	CZ	8714	7.351	165.611	129.017	4.210
	N	39308	0.067	422.843	120.391	5.499
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	32620	0.636	135.80	4.388	0.809
	HB2	30367	-1.501	5.63	2.069	0.371
	HB3	29485	-3.48	6.10	1.995	0.383
	HD2	28089	-6.56	7.67	3.635	0.449
	HD3	27127	-6.56	8.865	3.601	0.470
	HG2	27335	-2.35	7.395	1.918	0.342
	HG3	25422	-1.520	4.92	1.894	0.351
	C	27909	0	183.517	176.631	4.436
	CA	40004	0	363.087	63.334	3.649
	CB	37294	0	333.586	31.892	3.193
	CD	24585	1.155	350.648	50.347	3.236
	CG	24490	2.436	327.402	27.282	3.756
	N	1922	3.566	430	134.544	25.681
SER	H	70086	-15.3	13.130	8.277	0.602
	HA	49757	1.277	58.739	4.477	0.477
	HB2	45644	0.61	9.182	3.867	0.279
	HB3	42395	0.61	41.7	3.843	0.345
	HG	904	0.13	11.36	5.429	1.184
	C	45303	0.000	197.1	174.585	3.286
	CA	63738	4.331	361.278	58.696	2.818
	CB	59148	-939.2800	365.087	63.727	5.033
	N	66344	0.000	416.964	116.299	4.267
THR	H	62544	0.02	21.7	8.235	0.641
	HA	43532	0.87	7.468	4.452	0.479
	HB	40043	0.087	71.587	4.167	0.659
	HG1	1578	-1.783	11.01	5.225	1.401
	MG	39933	-12.1	16.3	1.138	0.280
	C	39358	4.780	185.918	174.454	4.116
	CA	55112	0.971	92.659	62.210	2.758
	CB	51161	-939.2800	629.206	69.594	5.706
	CG2	33809	7.177	175.6	21.592	1.903
	N	59465	0.0	402	115.407	6.369
TRP	H	13769	3.421	17.315	8.270	0.782
	HA	9650	2.043	11.414	4.680	0.535
	HB2	9145	0.42	5.35	3.179	0.351
	HB3	8900	-0.3776	7.972	3.116	0.373
	HD1	8173	1.880	10.75	7.127	0.364
	HE1	9058	-1.279	131.711	10.092	1.454
	HE3	7105	1.85	12.233	7.297	0.524
	HH2	7040	2.84	10.900	6.951	0.457
	HZ2	7670	2.63	10.81	7.266	0.413
	HZ3	6853	0.76	8.898	6.847	0.474
	C	8279	2.500	184.30	175.966	6.107
	CA	11628	2.966	362.099	57.709	4.839
	CB	10864	1.6	328.795	30.091	4.815
	CD1	5202	30.236	183.141	126.314	4.496
	CD2	180	1.578	155.174	127.002	13.345
	CE2	239	56.4176	177.710	137.562	9.669
	CE3	4349	-10.872	174.807	120.168	5.582
	CG	241	4.174	116.526	110.040	9.325
	CH2	4589	-6.333	160.818	123.531	5.057
	CZ2	4955	7.107	159.041	114.032	4.640
	CZ3	4377	-8.702	161.540	121.146	4.687
	N	12546	6.712	423.160	121.660	6.069
	NE1	7414	0.53	435.960	129.259	6.345
TYR	H	35507	0.02	12.34	8.295	0.741
	HA	24616	0.442	7.160	4.609	0.564
	HB2	22998	-21.230	23.28	2.898	0.467
	HB3	22477	-21.230	23.28	2.833	0.485
	HD1	19913	0.190	10.5	6.919	0.374
	HD2	16997	0.5522	10.499	6.915	0.379
	HE1	18883	0.08	11.8	6.690	0.310
	HE2	16217	0.43	11.7	6.690	0.321
	HH	439	-0.788	31	9.113	2.091
	C	21744	2.200	184.78	175.364	4.747
	CA	30329	2.200	357.681	58.144	3.111
	CB	28161	18.38	338.686	39.310	3.150
	CD1	12112	19.589	141.572	132.367	5.206
	CD2	8342	3.492	139.644	132.375	5.178
	CE1	11906	40.435	177.717	117.722	4.085
	CE2	8226	34.1221	154.10	117.770	3.368
	CG	355	7.113	175.115	128.489	10.318
	CZ	273	6.839	165.718	155.402	14.067
	N	33022	0.2	818	120.765	12.065
VAL	H	76402	-0.41	120.980	8.273	0.795
	HA	53076	-2.83	54.971	4.168	0.630
	HB	49638	-27.480	31.75	1.979	0.452
	MG1	49799	-27.2	24.20	0.820	0.334
	MG2	48887	-27.2	56.56	0.801	0.433
	C	49319	1	205.699	175.630	3.444
	CA	67939	20.668	362.057	62.497	3.202
	CB	63024	15.597025	331.747	32.721	2.298
	CG1	43702	-7.4	321.185	21.551	2.449
	CG2	42162	-5.648	320.420	21.351	2.546
	N	73373	0.2	529	121.147	7.440