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	83070	-0.914	69.229	8.193	0.642
	HA	57405	-2.52	17.870	4.245	0.444
	MB	55196	-14.040	5.48	1.351	0.280
	C	53559	0.037	187.2	177.718	3.836
	CA	73520	17.007	354.698	53.163	2.803
	CB	69670	-40.993	318.868	19.058	3.110
	N	79091	0.049	766	123.349	6.125
ARG	H	55404	0.011	178	8.242	1.068
	HA	39230	1.212	12.57	4.290	0.470
	HB2	35660	-4.78	27.530	1.790	0.312
	HB3	33732	-1.320	27.530	1.758	0.323
	HD2	31336	-6.44	5.0	3.107	0.266
	HD3	28548	-0.690	5.0	3.091	0.286
	HE	10637	1.150	116.661	7.452	2.871
	HG2	31910	-1.45	4.2	1.558	0.284
	HG3	29619	-1.298	5.47	1.539	0.298
	HH11	964	4.41	11.7	6.939	0.578
	HH12	735	4.41	10.727	6.881	0.544
	HH21	820	1.233	11.352	6.825	0.654
	HH22	671	1.233	60.1410	6.903	2.155
	C	33881	0.174	184.96	176.409	3.409
	CA	47802	8.369	358.124	56.786	3.383
	CB	44553	16.52	329.120	30.696	2.537
	CD	26975	18.9350	342.642	43.201	2.976
	CG	26724	12.17	328.290	27.261	3.079
	CZ	719	43.199	184.497	160.273	6.554
	N	51258	0.125	433.808	120.807	4.814
	NE	6720	-23.150	149.1080	90.151	13.812
	NH1	280	6.450	124.7890	78.595	13.417
	NH2	237	66.2	128.470	78.620	14.188
ASN	H	45503	0.008	20.4	8.327	0.649
	HA	32353	0.896	7.110	4.661	0.364
	HB2	30396	-0.773	8.883	2.800	0.335
	HB3	29347	-0.948	5.806	2.742	0.360
	HD21	22892	0.783	111.320	7.338	0.856
	HD22	22626	0.905	111.320	7.144	0.873
	C	28495	0.114	185.3000	175.211	3.619
	CA	40186	2.200	354.022	53.545	3.568
	CB	38080	1.9620	342.798	38.731	3.651
	CG	2597	0.000	185.503	176.388	7.251
	N	42603	0.041	426.314	118.930	5.185
	ND2	19797	21.038	1114.29	112.915	12.795
ASP	H	65630	-0.35	25.876	8.301	0.592
	HA	45383	-3.75	8.66	4.586	0.328
	HB2	42419	-5.2	37.4	2.717	0.516
	HB3	40764	-1.46	37.2	2.667	0.523
	HD2	16	1.160	12.30	5.292	2.806
	C	41810	0.106	184.14	176.358	3.630
	CA	57912	5.630	354.531	54.686	2.749
	CB	54885	9.7	341.273	40.894	2.589
	CG	886	2.637	188.215	177.812	15.739
	N	62832	0.061	428.093	120.697	4.689
CYS	H	23000	3.723	12.660	8.379	0.697
	HA	18859	-9.858	43.5	4.681	0.987
	HB2	18189	-39.82	363.580	3.139	6.440
	HB3	17721	-44.2	363.580	3.060	5.839
	HG	240	-1.830	10.700	2.007	1.355
	C	11065	1.000	187.591	174.773	3.505
	CA	16543	30.6688	82.3	58.024	3.451
	CB	15762	17.99	73.920	33.365	6.522
	N	18148	-147	628	120.449	18.565
GLN	H	46631	0.000	66.542	8.217	0.658
	HA	32548	0.403	7.43	4.265	0.433
	HB2	29652	-1.514	10.461	2.042	0.277
	HB3	28241	-1.4980	20.9	2.013	0.328
	HE21	20913	-3.41	23.893	7.218	0.499
	HE22	20792	1.025	113.695	7.036	0.887
	HG2	27692	-1.76	33.5990	2.313	0.340
	HG3	25708	-1.395	34.946	2.293	0.364
	C	30061	0.069	1755.998	176.332	9.806
	CA	41800	1.733	356.830	56.561	2.659
	CB	39163	1.843	328.286	29.195	2.545
	CD	2532	6.789	190.624	179.345	7.127
	CG	24520	2.097	333.032	33.810	2.589
	N	44599	0.000	418.059	119.956	4.215
	NE2	18826	33.9	412.160	111.880	3.010
GLU	H	85314	0.008	122.9	8.330	0.752
	HA	59282	0.433	8.02	4.242	0.414
	HB2	53734	-1.470	4.82	2.018	0.222
	HB3	50574	-1.633	4.08	1.994	0.227
	HE2	15	0.801	11.96	5.088	2.703
	HG2	49644	-0.674	4.69	2.263	0.222
	HG3	46253	-0.10	4.69	2.244	0.225
	C	55232	0.074	184.71	176.818	4.354
	CA	75520	1.056	360.826	57.327	3.308
	CB	70541	9.08	330.834	30.024	3.194
	CD	934	0.000	198.609	180.990	15.445
	CG	44363	6.16	337.230	36.143	2.986
	N	81964	0.044	422.043	120.714	4.746
GLY	H	82409	-15.3	121.881	8.327	0.772
	HA2	56532	-3.4	8.64	3.962	0.400
	HA3	53825	-3.936	7.69	3.887	0.407
	C	52182	1.000	189.533	173.833	3.477
	CA	73218	2.200	344.994	45.376	2.194
	N	77424	0.2	791	109.682	7.175
HIS	H	23484	-0.3	13.34	8.258	0.734
	HA	17137	0.676	11.38	4.618	0.569
	HB2	16004	-2.168	45.897	3.161	1.129
	HB3	15558	-6.2	38.5	3.101	1.098
	HD1	999	-15	86.5	10.031	8.643
	HD2	11385	-25.85	67.8	7.152	3.295
	HE1	8966	-26.6	134.811	7.827	2.559
	HE2	384	-15	76.4	11.107	7.937
	C	14566	1.000	184.204	175.123	4.787
	CA	21071	11.40	355.084	56.524	3.442
	CB	19780	13.496	329.046	30.328	3.207
	CD2	7362	7.19	159.946	119.919	5.729
	CE1	5782	8.198	166.282	137.243	5.771
	CG	222	60.973	139.83	131.307	7.125
	N	21903	0.2	427.146	119.657	5.290
	ND1	796	31.026	261.013	193.374	32.790
	NE2	733	17.0	257.572	181.047	20.501
ILE	H	57352	0.008	11.871	8.262	0.694
	HA	40009	-9.0	173.538	4.168	1.018
	HB	37728	-2.442	38.700	1.782	0.401
	HG12	34309	-10.1	5.56	1.262	0.454
	HG13	33001	-10.1	9.71	1.192	0.486
	MD	37739	-4.15	13.891	0.671	0.334
	MG	36074	-3.919	6.23	0.768	0.307
	C	36748	0	187.551	175.785	4.600
	CA	50955	20.877	362.184	61.615	3.377
	CB	47585	-34.477	339.785	38.591	2.957
	CD1	33775	2.7	314.600	13.511	3.524
	CG1	30360	8.0	329.288	27.755	3.379
	CG2	32234	0.79	317.615	17.613	3.281
	N	54732	0.0000	531	121.427	6.118
LEU	H	94891	-0.3	13.220	8.219	0.652
	HA	65906	0.000	119.411	4.304	0.649
	HB2	60639	-1.522	8.02	1.607	0.360
	HB3	58202	-1.79	8.39	1.522	0.377
	HG	53762	-2.08	5.7	1.502	0.348
	MD1	61286	-3.42	30.176	0.748	0.332
	MD2	58908	-3.42	24.504	0.727	0.361
	C	60934	0.071	189.78	176.981	3.738
	CA	84244	1.056	158.320	55.647	2.239
	CB	78823	7.439	93.180	42.257	2.022
	CD1	53074	0.683	120.700	24.677	2.058
	CD2	50635	0.280	116.300	24.117	2.140
	CG	46822	0.000	75.280	26.807	1.503
	N	90219	0.044	627	121.962	7.898
LYS	H	80201	0.002	64.423	8.175	0.671
	HA	56891	-0.118	32.650	4.259	0.459
	HB2	51290	-1.416	10.94	1.773	0.267
	HB3	48333	-3.038	9.43	1.745	0.284
	HD2	41250	-1.6800	119.620	1.607	0.651
	HD3	36923	-2.02	29.047	1.595	0.274
	HE2	40566	-0.493	42.02	2.910	0.290
	HE3	35679	-0.046	7.344	2.902	0.224
	HG2	46411	-1.654	6.7	1.362	0.273
	HG3	42769	-1.83	5.575	1.347	0.283
	C	49299	0.112	996.253	176.603	5.847
	CA	68870	1.155	359.222	56.944	3.240
	CB	64279	-26.686	332.988	32.799	2.963
	CD	37402	0.834	329.284	28.998	2.671
	CE	36066	-0.130	342.334	41.927	3.091
	CG	39694	12.109	325.487	24.965	3.178
	N	74697	0.041	427.245	121.039	4.739
	NZ	291	1.950	177.2	49.757	31.457
	QZ	1578	-10.9	10.506	7.334	1.057
MET	H	22497	-0.21	177	8.257	1.282
	HA	16220	-0.93	313.565	4.411	2.475
	HB2	14550	-27.312	33.750	2.023	0.589
	HB3	13731	-27.312	12.94	1.994	0.527
	HG2	13356	-33.86	32.7	2.374	1.482
	HG3	12646	-33.86	31.7	2.348	1.595
	ME	10249	-24.86	10.2000	1.770	1.586
	C	14779	2.200	183.25	176.191	3.370
	CA	20963	25.7283	85.327	56.145	2.293
	CB	19381	0.2	332.173	32.976	3.256
	CE	9217	0.000	317.645	17.255	4.314
	CG	11416	2.30	332.686	32.075	3.281
	N	21664	0.000	428.252	120.051	5.060
PHE	H	41002	-0.5	12.1759	8.337	0.732
	HA	28272	1.33	59.70	4.618	0.731
	HB2	26413	-0.463	7.979	2.992	0.381
	HB3	25763	-0.212	12.72	2.934	0.401
	HD1	22253	0.603	12.154	7.037	0.401
	HD2	18773	0.603	12.154	7.037	0.415
	HE1	19438	-2.838	14.080	7.061	0.456
	HE2	16574	0	12.9	7.059	0.451
	HZ	13625	-7.14	43.623	6.993	0.724
	C	25734	0.088	184.929	175.446	3.104
	CA	35862	4.917	363.618	58.104	3.860
	CB	33674	2.161	341.700	39.962	3.659
	CD1	13248	7.160	143.4500	131.177	6.008
	CD2	9465	7.160	138.7	131.333	4.492
	CE1	11533	0.000	149.609	130.320	5.855
	CE2	8219	7.472	149.609	130.542	3.948
	CG	375	7.229	152.844	137.493	10.761
	CZ	8629	7.351	165.611	129.012	4.228
	N	38739	0.067	422.843	120.389	5.523
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	32358	0.636	135.80	4.388	0.811
	HB2	30122	-1.501	5.63	2.070	0.371
	HB3	29244	-3.48	6.10	1.996	0.383
	HD2	27848	-6.56	7.67	3.636	0.449
	HD3	26891	-6.56	8.865	3.601	0.471
	HG2	27111	-2.35	7.395	1.918	0.342
	HG3	25202	-1.520	4.92	1.894	0.351
	C	27484	0	183.517	176.629	4.466
	CA	39443	0	363.087	63.333	3.669
	CB	36809	0	333.586	31.894	3.211
	CD	24342	1.155	350.648	50.348	3.251
	CG	24255	2.436	327.402	27.283	3.772
	N	1889	3.566	430	134.550	25.900
SER	H	69128	-15.3	13.130	8.277	0.602
	HA	49332	1.277	58.739	4.477	0.477
	HB2	45264	0.61	9.182	3.867	0.278
	HB3	42024	0.61	41.7	3.842	0.345
	HG	896	0.13	11.36	5.428	1.188
	C	44705	0.000	197.1	174.584	3.301
	CA	62905	4.331	361.278	58.696	2.827
	CB	58372	-939.2800	365.087	63.726	5.064
	N	65371	0.000	416.964	116.300	4.273
THR	H	61622	0.02	21.7	8.235	0.641
	HA	43162	0.87	7.468	4.452	0.480
	HB	39706	0.087	71.587	4.167	0.661
	HG1	1567	-1.783	11.01	5.225	1.400
	MG	39569	-12.1	16.3	1.138	0.280
	C	38810	4.780	185.918	174.454	4.139
	CA	54361	0.971	92.659	62.208	2.758
	CB	50504	-939.2800	629.206	69.596	5.737
	CG2	33439	7.177	175.6	21.592	1.910
	N	58525	0.0	402	115.413	6.394
TRP	H	13591	3.421	17.315	8.269	0.781
	HA	9564	2.043	11.414	4.679	0.535
	HB2	9066	0.42	5.35	3.179	0.351
	HB3	8823	-0.3776	7.972	3.115	0.374
	HD1	8112	1.880	10.75	7.128	0.364
	HE1	8990	-1.279	131.711	10.092	1.458
	HE3	7045	1.85	12.233	7.296	0.525
	HH2	6984	2.84	10.900	6.951	0.457
	HZ2	7613	2.63	10.81	7.265	0.413
	HZ3	6801	0.76	8.898	6.846	0.475
	C	8153	2.500	184.30	175.965	6.149
	CA	11470	2.966	362.099	57.714	4.863
	CB	10726	1.6	328.795	30.094	4.839
	CD1	5165	30.236	183.141	126.315	4.506
	CD2	179	1.578	155.174	126.995	13.382
	CE2	237	56.4176	177.710	137.569	9.710
	CE3	4318	-10.872	174.807	120.159	5.594
	CG	237	4.174	116.526	110.033	9.397
	CH2	4557	-6.333	160.818	123.525	5.074
	CZ2	4921	7.107	159.041	114.028	4.655
	CZ3	4350	-8.702	161.540	121.138	4.696
	N	12375	6.712	423.160	121.657	6.094
	NE1	7361	0.53	435.960	129.263	6.363
TYR	H	34974	0.02	12.34	8.296	0.742
	HA	24433	0.442	7.160	4.609	0.564
	HB2	22821	-21.230	23.28	2.898	0.468
	HB3	22304	-21.230	23.28	2.833	0.486
	HD1	19763	0.190	10.5	6.919	0.375
	HD2	16850	0.5522	10.499	6.915	0.379
	HE1	18747	0.08	11.8	6.690	0.310
	HE2	16083	0.43	11.7	6.689	0.321
	HH	436	-0.788	31	9.109	2.093
	C	21448	2.200	184.78	175.362	4.774
	CA	29939	2.200	357.681	58.147	3.117
	CB	27816	18.38	338.686	39.313	3.161
	CD1	12005	19.589	141.572	132.372	5.219
	CD2	8278	3.492	139.644	132.375	5.194
	CE1	11809	40.435	177.717	117.712	4.088
	CE2	8170	34.1221	154.10	117.767	3.374
	CG	351	7.113	175.115	128.486	10.384
	CZ	273	6.839	165.718	155.402	14.067
	N	32488	0.2	818	120.774	12.154
VAL	H	75400	-0.41	15.050	8.272	0.683
	HA	52628	-2.83	54.971	4.168	0.630
	HB	49206	-27.480	31.75	1.979	0.453
	MG1	49313	-27.2	24.20	0.820	0.335
	MG2	48371	-27.2	56.56	0.801	0.434
	C	48689	1	205.699	175.629	3.459
	CA	67070	20.668	362.057	62.495	3.205
	CB	62251	15.597025	331.747	32.722	2.305
	CG1	43209	-7.4	321.185	21.549	2.459
	CG2	41666	-5.648	320.420	21.349	2.557
	N	72352	0.2	529	121.155	7.463