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	79106	-0.914	69.229	8.193	0.644
	HA	55680	-2.52	17.870	4.245	0.445
	MB	53600	-14.040	5.48	1.351	0.280
	C	51177	0.037	187.2	177.740	3.367
	CA	70243	17.007	354.698	53.173	2.843
	CB	66622	-40.993	318.868	19.059	3.151
	N	75217	0.049	766	123.346	6.226
ARG	H	52618	0.011	178	8.240	0.969
	HA	37983	1.212	12.57	4.290	0.472
	HB2	34597	-4.78	27.530	1.790	0.313
	HB3	32715	-1.320	27.530	1.758	0.325
	HD2	30428	-6.44	5.0	3.107	0.267
	HD3	27695	-0.690	5.0	3.090	0.288
	HE	10327	1.150	116.661	7.453	2.911
	HG2	30979	-1.45	4.2	1.559	0.285
	HG3	28730	-1.298	5.47	1.539	0.299
	HH11	949	4.41	11.7	6.935	0.571
	HH12	730	4.41	10.727	6.878	0.530
	HH21	808	1.233	11.352	6.825	0.657
	HH22	664	1.233	60.1410	6.904	2.166
	C	32374	0.174	184.96	176.416	3.177
	CA	45545	8.369	358.124	56.792	3.431
	CB	42473	17.736	329.120	30.703	2.562
	CD	26139	18.9350	342.642	43.199	3.020
	CG	25871	12.17	328.290	27.261	3.123
	CZ	700	43.199	184.497	160.278	6.628
	N	48590	0.125	433.808	120.810	4.803
	NE	6547	-23.150	149.1080	90.204	13.867
	NH1	261	6.450	124.7890	79.059	13.772
	NH2	223	66.2	128.470	78.986	14.538
ASN	H	43492	0.008	20.4	8.327	0.651
	HA	31520	0.896	7.110	4.661	0.364
	HB2	29658	-0.773	8.883	2.800	0.335
	HB3	28626	-0.948	5.137	2.742	0.361
	HD21	22390	0.783	111.320	7.338	0.862
	HD22	22124	0.905	111.320	7.144	0.880
	C	27308	0.114	185.3000	175.248	2.962
	CA	38450	2.200	354.022	53.555	3.628
	CB	36464	1.9620	342.798	38.732	3.715
	CG	2510	0.000	183.8	176.374	7.370
	N	40644	0.041	426.314	118.926	5.245
	ND2	19349	21.038	1114.29	112.922	12.938
ASP	H	62574	-0.35	25.876	8.301	0.594
	HA	44155	-3.75	8.66	4.586	0.327
	HB2	41355	-5.2	37.4	2.717	0.521
	HB3	39728	-1.46	37.2	2.667	0.528
	HD2	16	1.160	12.30	5.292	2.806
	C	39935	0.106	184.14	176.373	3.381
	CA	55361	5.630	354.531	54.692	2.784
	CB	52518	9.7	341.273	40.894	2.626
	CG	847	2.637	186.5	177.751	16.082
	N	59801	0.061	428.093	120.686	4.734
CYS	H	22129	3.723	12.660	8.379	0.700
	HA	18275	-9.858	43.5	4.681	0.995
	HB2	17657	-39.82	363.580	3.147	6.536
	HB3	17215	-44.2	363.580	3.067	5.924
	HG	231	-1.830	10.700	2.011	1.376
	C	10653	1.000	187.591	174.793	3.246
	CA	15898	30.6688	82.3	58.043	3.457
	CB	15147	17.99	73.920	33.333	6.491
	N	17426	-147	628	120.461	18.926
GLN	H	44482	0.000	66.542	8.217	0.662
	HA	31608	0.403	7.43	4.266	0.435
	HB2	28833	-1.514	10.461	2.042	0.278
	HB3	27449	-1.4980	20.9	2.012	0.330
	HE21	20374	-3.41	23.893	7.215	0.502
	HE22	20257	1.025	113.695	7.037	0.897
	HG2	26948	-1.76	33.5990	2.313	0.342
	HG3	24993	-1.395	34.946	2.292	0.367
	C	28836	0.069	1755.998	176.346	9.860
	CA	39978	1.733	356.830	56.566	2.678
	CB	37497	1.843	328.286	29.203	2.574
	CD	2469	6.789	183.929	179.325	7.211
	CG	23801	2.097	333.032	33.810	2.623
	N	42465	0.000	418.059	119.953	4.251
	NE2	18326	33.9	412.160	111.880	3.040
GLU	H	81038	0.008	122.9	8.331	0.759
	HA	57535	0.433	8.02	4.242	0.414
	HB2	52308	-1.470	4.82	2.018	0.223
	HB3	49206	-1.633	4.08	1.994	0.228
	HE2	15	0.801	11.96	5.088	2.703
	HG2	48380	-0.674	4.69	2.264	0.223
	HG3	45018	-0.10	4.69	2.244	0.225
	C	52699	0.074	184.71	176.841	3.916
	CA	72046	1.056	360.826	57.333	3.355
	CB	67366	9.08	330.834	30.024	3.245
	CD	884	0.000	198.609	180.825	15.849
	CG	43052	6.16	337.230	36.142	3.025
	N	77770	0.044	422.043	120.711	4.811
GLY	H	78504	-15.3	15.7	8.326	0.665
	HA2	54920	-3.4	8.64	3.962	0.399
	HA3	52247	-3.936	7.69	3.888	0.408
	C	49990	1.000	189.533	173.837	3.512
	CA	69909	2.200	344.994	45.378	2.228
	N	73627	0.2	791	109.704	7.278
HIS	H	22569	-0.3	13.34	8.259	0.735
	HA	16717	0.676	11.38	4.616	0.564
	HB2	15631	-2.168	45.897	3.160	1.125
	HB3	15196	-6.2	38.5	3.098	1.079
	HD1	984	-15	86.5	10.070	8.702
	HD2	11173	-25.85	67.8	7.156	3.325
	HE1	8819	-26.6	134.811	7.826	2.579
	HE2	376	-15	76.4	11.132	8.016
	C	14001	1.000	185.512	175.149	4.390
	CA	20285	11.40	355.084	56.527	3.460
	CB	19043	17.80	329.046	30.326	3.237
	CD2	7209	7.19	159.946	119.914	5.779
	CE1	5674	8.198	166.282	137.237	5.823
	CG	218	60.973	139.83	131.348	7.177
	N	20991	0.2	427.146	119.680	5.162
	ND1	773	31.026	261.013	193.072	33.057
	NE2	707	17.0	257.572	181.264	20.764
ILE	H	54560	0.008	11.871	8.264	0.694
	HA	38860	-9.0	173.538	4.169	1.029
	HB	36734	-2.442	38.700	1.782	0.404
	HG12	33458	-10.1	5.56	1.263	0.456
	HG13	32181	-10.1	9.71	1.192	0.488
	MD	36474	-4.15	13.891	0.670	0.336
	MG	35104	-3.919	6.23	0.768	0.308
	C	35139	0	187.551	175.812	4.222
	CA	48743	20.877	362.184	61.619	3.405
	CB	45601	-34.477	339.785	38.595	2.991
	CD1	32549	2.7	314.600	13.518	3.576
	CG1	29473	8.0	329.288	27.754	3.419
	CG2	31280	0.79	317.615	17.616	3.325
	N	52008	0.0000	531	121.442	6.140
LEU	H	90315	-0.3	13.220	8.219	0.653
	HA	63937	0.000	119.411	4.304	0.654
	HB2	58937	-1.522	8.02	1.607	0.362
	HB3	56552	-1.79	8.39	1.522	0.378
	HG	52336	-2.08	5.7	1.502	0.348
	MD1	59266	-3.42	30.176	0.748	0.334
	MD2	56966	-3.42	24.504	0.726	0.364
	C	58176	0.071	189.78	176.994	3.505
	CA	80430	1.056	158.320	55.651	2.245
	CB	75329	7.439	93.180	42.261	2.024
	CD1	51165	0.683	120.700	24.683	2.073
	CD2	48811	0.280	116.300	24.118	2.159
	CG	45450	0.000	75.280	26.808	1.517
	N	85820	0.044	627	121.972	8.045
LYS	H	76365	0.002	64.423	8.174	0.651
	HA	55276	-0.118	32.650	4.259	0.458
	HB2	49926	-1.416	10.94	1.773	0.267
	HB3	47050	-3.038	9.43	1.745	0.284
	HD2	40156	-1.6800	119.620	1.607	0.659
	HD3	35940	-2.02	29.047	1.595	0.275
	HE2	39522	-0.493	42.02	2.910	0.293
	HE3	34757	-0.046	7.344	2.903	0.224
	HG2	45210	-1.654	6.7	1.363	0.272
	HG3	41649	-1.83	5.575	1.347	0.283
	C	47079	0.112	996.253	176.610	5.787
	CA	65742	1.155	359.222	56.947	3.283
	CB	61391	-26.686	332.988	32.805	3.005
	CD	36325	0.834	329.284	28.997	2.705
	CE	35050	-0.130	342.334	41.927	3.134
	CG	38519	12.109	325.487	24.967	3.222
	N	70995	0.041	427.245	121.041	4.781
	NZ	283	1.950	177.2	50.251	31.760
	QZ	1538	-10.9	10.506	7.329	1.070
MET	H	21572	-0.21	177	8.258	1.303
	HA	15808	-0.93	313.565	4.411	2.506
	HB2	14217	-27.312	33.750	2.022	0.594
	HB3	13409	-27.312	12.94	1.993	0.531
	HG2	13055	-33.86	32.7	2.372	1.498
	HG3	12347	-33.86	31.7	2.345	1.613
	ME	9997	-24.86	10.2000	1.766	1.606
	C	14216	2.200	183.25	176.199	3.198
	CA	20134	25.7283	85.327	56.145	2.302
	CB	18615	0.2	332.173	32.973	3.298
	CE	8972	8.90	317.645	17.260	4.365
	CG	11119	2.30	332.686	32.072	3.320
	N	20754	0.000	428.252	120.055	5.127
PHE	H	39232	-0.5	12.1759	8.340	0.734
	HA	27500	1.33	59.70	4.618	0.736
	HB2	25736	-0.463	7.979	2.992	0.382
	HB3	25098	-0.212	12.72	2.934	0.402
	HD1	21766	0.603	12.154	7.035	0.403
	HD2	18304	0.603	12.154	7.036	0.417
	HE1	19025	-2.838	14.080	7.060	0.459
	HE2	16185	0	12.9	7.057	0.455
	HZ	13386	-7.14	43.623	6.992	0.729
	C	24727	0.088	184.929	175.453	3.141
	CA	34398	4.917	363.618	58.114	3.909
	CB	32344	2.161	341.700	39.967	3.711
	CD1	12935	7.160	143.4500	131.167	6.077
	CD2	9226	7.160	138.7	131.324	4.547
	CE1	11277	0.000	149.609	130.310	5.918
	CE2	8035	7.472	149.609	130.534	3.989
	CG	366	7.229	152.844	137.497	10.892
	CZ	8450	7.351	165.611	129.006	4.266
	N	37042	0.067	422.843	120.406	5.543
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	31376	0.636	135.80	4.388	0.822
	HB2	29250	-1.501	5.63	2.069	0.371
	HB3	28395	-3.48	6.10	1.996	0.383
	HD2	27088	-6.56	7.67	3.635	0.452
	HD3	26154	-6.56	8.865	3.600	0.475
	HG2	26374	-2.35	7.395	1.918	0.343
	HG3	24503	-1.520	4.92	1.894	0.352
	C	26206	0	183.517	176.644	4.293
	CA	37769	0	363.087	63.331	3.739
	CB	35302	0	333.586	31.897	3.270
	CD	23603	1.155	350.648	50.345	3.298
	CG	23514	2.436	327.402	27.283	3.828
	N	1785	3.566	430	134.495	26.620
SER	H	66097	-15.3	13.13	8.278	0.604
	HA	48080	1.277	58.739	4.478	0.479
	HB2	44152	0.61	9.182	3.868	0.279
	HB3	40970	0.61	41.7	3.842	0.347
	HG	863	0.13	11.36	5.434	1.204
	C	42818	0.000	197.1	174.598	3.140
	CA	60195	4.331	361.278	58.700	2.859
	CB	55911	-939.2800	365.087	63.721	5.165
	N	62366	0.000	416.964	116.300	4.306
THR	H	58905	0.02	21.7	8.235	0.641
	HA	42051	0.87	7.468	4.452	0.481
	HB	38761	0.087	71.587	4.167	0.667
	HG1	1524	-1.783	11.01	5.228	1.404
	MG	38618	-12.1	16.3	1.138	0.281
	C	37220	4.780	185.918	174.475	3.928
	CA	52076	0.971	92.659	62.210	2.771
	CB	48435	-939.2800	629.206	69.591	5.843
	CG2	32507	7.177	175.6	21.590	1.931
	N	55830	0.0	402	115.428	6.437
TRP	H	13058	3.421	17.315	8.269	0.782
	HA	9339	2.043	11.414	4.680	0.536
	HB2	8865	0.42	5.35	3.180	0.351
	HB3	8627	-0.3776	7.972	3.117	0.372
	HD1	7945	1.880	10.75	7.128	0.365
	HE1	8742	-1.279	131.711	10.090	1.475
	HE3	6898	1.85	11.362	7.296	0.521
	HH2	6839	2.84	10.900	6.950	0.459
	HZ2	7453	2.63	10.81	7.264	0.416
	HZ3	6661	0.76	8.898	6.847	0.476
	C	7854	2.500	184.30	176.089	4.485
	CA	10987	2.966	362.099	57.720	4.940
	CB	10315	1.6	328.795	30.103	4.921
	CD1	5040	30.236	183.141	126.312	4.550
	CD2	175	1.578	155.174	126.932	13.527
	CE2	233	56.4176	177.710	137.596	9.790
	CE3	4209	-10.872	174.807	120.152	5.661
	CG	234	4.174	116.526	110.038	9.456
	CH2	4443	-6.333	160.818	123.520	5.134
	CZ2	4797	7.107	159.041	114.023	4.709
	CZ3	4240	-8.702	161.540	121.139	4.751
	N	11871	6.712	423.160	121.662	6.169
	NE1	7148	0.53	435.960	129.269	6.439
TYR	H	33438	0.02	12.34	8.297	0.740
	HA	23764	0.442	7.160	4.610	0.564
	HB2	22252	-21.230	23.28	2.898	0.470
	HB3	21744	-21.230	23.28	2.833	0.488
	HD1	19322	0.190	10.5	6.919	0.376
	HD2	16424	0.5522	10.499	6.915	0.381
	HE1	18319	0.08	11.8	6.690	0.312
	HE2	15669	0.43	11.7	6.690	0.323
	HH	431	-0.788	31	9.095	2.099
	C	20516	2.200	184.78	175.390	4.392
	CA	28662	2.200	357.681	58.152	3.138
	CB	26645	18.38	338.686	39.313	3.142
	CD1	11676	19.589	141.572	132.361	5.287
	CD2	8004	3.492	139.644	132.359	5.277
	CE1	11493	40.435	177.717	117.711	4.127
	CE2	7914	34.1221	154.10	117.763	3.424
	CG	343	7.113	175.115	128.466	10.503
	CZ	269	6.839	165.718	155.405	14.171
	N	30983	0.2	818	120.791	12.408
VAL	H	71912	-0.41	15.050	8.273	0.682
	HA	51249	-2.83	54.971	4.168	0.632
	HB	48067	-27.480	31.75	1.978	0.457
	MG1	47888	-27.2	24.20	0.820	0.337
	MG2	46976	-27.2	56.56	0.800	0.437
	C	46619	1	205.699	175.651	2.975
	CA	64210	20.668	362.057	62.494	3.217
	CB	59664	15.597025	331.747	32.729	2.323
	CG1	41804	-7.4	321.185	21.553	2.488
	CG2	40318	-5.648	320.420	21.348	2.585
	N	68937	0.2	529	121.167	7.560