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	83635	-0.914	69.229	8.192	0.642
	HA	57573	-2.52	17.870	4.245	0.444
	MB	55365	-14.040	5.48	1.352	0.280
	C	53879	0.037	187.2	177.719	3.828
	CA	74090	17.007	354.698	53.166	2.797
	CB	70117	-40.993	318.868	19.057	3.103
	N	79698	0.049	766	123.348	6.110
ARG	H	55768	0.011	178	8.242	1.066
	HA	39377	1.212	12.57	4.290	0.470
	HB2	35800	-4.78	27.530	1.790	0.311
	HB3	33863	-1.320	27.530	1.759	0.323
	HD2	31452	-6.44	5.0	3.107	0.266
	HD3	28650	-0.690	5.0	3.091	0.286
	HE	10702	1.150	116.661	7.452	2.862
	HG2	32032	-1.45	4.2	1.559	0.284
	HG3	29733	-1.298	5.47	1.539	0.298
	HH11	965	4.41	11.7	6.938	0.578
	HH12	735	4.41	10.727	6.881	0.544
	HH21	821	1.233	11.352	6.826	0.654
	HH22	674	1.233	60.1410	6.909	2.152
	C	34042	0.174	184.96	176.409	3.404
	CA	48113	8.369	358.124	56.786	3.378
	CB	44796	16.52	329.120	30.696	2.533
	CD	27072	18.9350	342.642	43.203	2.971
	CG	26822	12.17	328.290	27.263	3.074
	CZ	726	43.199	184.497	160.135	7.510
	N	51628	0.125	433.808	120.807	4.806
	NE	6737	-23.150	149.1080	90.118	13.781
	NH1	281	6.450	124.7890	78.570	13.400
	NH2	240	66.2	128.470	78.591	14.102
ASN	H	45703	0.008	20.4	8.327	0.649
	HA	32425	0.896	7.110	4.661	0.363
	HB2	30463	-0.773	8.883	2.800	0.334
	HB3	29413	-0.948	5.806	2.742	0.361
	HD21	22967	0.783	111.320	7.338	0.855
	HD22	22701	0.905	111.320	7.144	0.872
	C	28625	0.114	185.3000	175.211	3.612
	CA	40370	2.200	354.022	53.545	3.562
	CB	38243	1.9620	342.798	38.730	3.644
	CG	2602	0.000	185.503	176.389	7.245
	N	42811	0.041	426.314	118.930	5.178
	ND2	19865	21.038	1114.29	112.915	12.773
ASP	H	66038	-0.35	25.876	8.300	0.592
	HA	45508	-3.75	8.66	4.586	0.328
	HB2	42538	-5.2	37.4	2.717	0.515
	HB3	40880	-1.46	37.2	2.667	0.522
	HD2	18	1.160	12.30	5.991	3.334
	C	42023	0.106	184.14	176.357	3.622
	CA	58257	5.630	354.531	54.686	2.744
	CB	55160	9.7	341.273	40.895	2.584
	CG	895	2.637	188.215	177.806	15.665
	N	63244	0.061	428.093	120.696	4.683
CYS	H	23148	3.723	12.660	8.379	0.697
	HA	18966	-9.858	43.5	4.681	0.985
	HB2	18295	-39.82	363.580	3.139	6.422
	HB3	17826	-44.2	363.580	3.058	5.822
	HG	241	-1.830	10.700	2.013	1.353
	C	11100	1.000	187.591	174.771	3.502
	CA	16664	30.6688	82.3	58.026	3.459
	CB	15874	17.99	73.920	33.368	6.514
	N	18297	-147	628	120.454	18.493
GLN	H	46917	0.000	66.542	8.216	0.658
	HA	32655	0.403	7.43	4.265	0.433
	HB2	29754	-1.514	10.461	2.043	0.277
	HB3	28343	-1.4980	20.9	2.013	0.328
	HE21	20994	-3.41	23.893	7.218	0.499
	HE22	20877	1.025	113.695	7.036	0.886
	HG2	27797	-1.76	33.5990	2.313	0.339
	HG3	25811	-1.395	34.946	2.293	0.364
	C	30222	0.069	1755.998	176.332	9.781
	CA	42029	1.733	356.830	56.562	2.657
	CB	39363	1.843	328.286	29.195	2.542
	CD	2542	6.789	190.624	179.346	7.113
	CG	24622	2.097	333.032	33.809	2.584
	N	44892	0.000	418.059	119.955	4.210
	NE2	18901	33.9	412.160	111.881	3.007
GLU	H	85742	0.008	122.9	8.331	0.751
	HA	59450	0.433	8.02	4.242	0.414
	HB2	53891	-1.470	4.82	2.018	0.222
	HB3	50725	-1.633	4.08	1.994	0.227
	HE2	15	0.801	11.96	5.088	2.703
	HG2	49788	-0.674	4.69	2.263	0.222
	HG3	46396	-0.10	4.69	2.244	0.225
	C	55490	0.074	184.71	176.818	4.345
	CA	75883	1.056	360.826	57.327	3.304
	CB	70859	9.08	330.834	30.025	3.189
	CD	942	0.000	198.609	180.999	15.381
	CG	44521	6.16	337.230	36.144	2.981
	N	82397	0.044	422.043	120.713	4.740
GLY	H	82870	-15.3	121.881	8.327	0.771
	HA2	56697	-3.4	8.64	3.962	0.400
	HA3	53988	-3.936	7.69	3.887	0.406
	C	52417	1.000	189.533	173.833	3.471
	CA	73630	2.200	344.994	45.378	2.239
	N	77898	0.2	791	109.678	7.159
HIS	H	23589	-0.3	13.34	8.258	0.734
	HA	17193	0.676	11.38	4.618	0.569
	HB2	16060	-2.168	45.897	3.161	1.128
	HB3	15614	-6.2	38.5	3.102	1.096
	HD1	1002	-15	86.5	10.025	8.631
	HD2	11424	-25.85	67.8	7.151	3.290
	HE1	8994	-26.6	134.811	7.828	2.555
	HE2	384	-15	76.4	11.107	7.937
	C	14630	1.000	184.204	175.123	4.778
	CA	21177	11.40	355.084	56.522	3.436
	CB	19871	13.496	329.046	30.326	3.204
	CD2	7385	7.19	159.946	119.918	5.720
	CE1	5799	8.198	166.282	137.243	5.763
	CG	225	60.973	139.83	131.293	7.080
	N	22014	0.2	427.146	119.654	5.283
	ND1	798	31.026	261.013	193.426	32.773
	NE2	736	17.0	257.572	181.028	20.465
ILE	H	57692	0.008	11.871	8.263	0.694
	HA	40113	-9.0	173.538	4.168	1.017
	HB	37828	-2.442	38.700	1.782	0.401
	HG12	34397	-10.1	5.56	1.262	0.454
	HG13	33088	-10.1	9.71	1.192	0.486
	MD	37853	-4.15	13.891	0.671	0.334
	MG	36175	-3.919	6.23	0.768	0.307
	C	36921	0	187.551	175.786	4.590
	CA	51220	20.877	362.184	61.615	3.373
	CB	47798	-34.477	339.785	38.592	2.953
	CD1	33898	2.7	314.600	13.513	3.519
	CG1	30461	8.0	329.288	27.756	3.375
	CG2	32343	0.79	317.615	17.612	3.276
	N	55088	0.0000	531	121.427	6.107
LEU	H	95496	-0.3	13.220	8.219	0.652
	HA	66096	0.000	119.411	4.304	0.648
	HB2	60819	-1.522	8.02	1.607	0.360
	HB3	58375	-1.79	8.39	1.522	0.377
	HG	53925	-2.08	5.7	1.501	0.348
	MD1	61446	-3.42	30.176	0.748	0.332
	MD2	59085	-3.42	24.504	0.726	0.361
	C	61270	0.071	189.78	176.982	3.730
	CA	84782	1.056	158.320	55.649	2.238
	CB	79268	7.439	93.180	42.256	2.020
	CD1	53255	0.683	120.700	24.678	2.056
	CD2	50811	0.280	116.300	24.116	2.138
	CG	47011	0.000	75.280	26.808	1.502
	N	90860	0.044	627	121.962	7.877
LYS	H	80638	0.002	64.423	8.175	0.671
	HA	57127	-0.118	32.650	4.259	0.459
	HB2	51508	-1.416	10.94	1.773	0.267
	HB3	48542	-3.038	9.43	1.745	0.283
	HD2	41424	-1.6800	119.620	1.607	0.650
	HD3	37090	-2.02	29.047	1.595	0.274
	HE2	40716	-0.493	42.02	2.910	0.290
	HE3	35825	-0.046	7.344	2.903	0.224
	HG2	46623	-1.654	6.7	1.362	0.273
	HG3	42969	-1.83	5.575	1.347	0.283
	C	49536	0.112	996.253	176.602	5.834
	CA	69225	1.155	359.222	56.944	3.235
	CB	64608	-26.686	332.988	32.799	2.957
	CD	37592	0.834	329.284	28.999	2.669
	CE	36245	-0.130	342.334	41.928	3.084
	CG	39896	12.109	325.487	24.965	3.171
	N	75134	0.041	427.245	121.040	4.735
	NZ	291	1.950	177.2	49.757	31.457
	QZ	1585	-10.9	10.506	7.334	1.055
MET	H	22573	-0.21	177	8.257	1.280
	HA	16257	-0.93	313.565	4.411	2.473
	HB2	14583	-27.312	33.750	2.023	0.589
	HB3	13757	-27.312	12.94	1.994	0.527
	HG2	13388	-33.86	32.7	2.374	1.480
	HG3	12675	-33.86	31.7	2.348	1.593
	ME	10281	-24.86	10.2000	1.770	1.584
	C	14829	2.200	183.25	176.192	3.366
	CA	21041	25.7283	85.327	56.145	2.292
	CB	19443	0.2	332.173	32.977	3.253
	CE	9251	0.000	317.645	17.255	4.307
	CG	11448	2.30	332.686	32.077	3.278
	N	21743	0.000	428.252	120.052	5.057
PHE	H	41215	-0.5	12.1759	8.337	0.731
	HA	28374	1.33	59.70	4.618	0.730
	HB2	26511	-0.463	7.979	2.992	0.381
	HB3	25856	-0.212	12.72	2.934	0.401
	HD1	22313	0.603	12.154	7.037	0.401
	HD2	18840	0.603	12.154	7.037	0.414
	HE1	19496	-2.838	14.080	7.061	0.456
	HE2	16645	0	12.9	7.059	0.451
	HZ	13682	-7.14	43.623	6.994	0.723
	C	25874	0.088	184.929	175.446	3.098
	CA	36054	4.917	363.618	58.108	3.855
	CB	33843	2.161	341.700	39.961	3.652
	CD1	13324	7.160	143.4500	131.175	5.995
	CD2	9480	7.160	138.7	131.332	4.489
	CE1	11594	0.000	149.609	130.320	5.844
	CE2	8232	7.472	149.609	130.543	3.945
	CG	383	7.229	152.844	137.519	10.652
	CZ	8659	7.351	165.611	129.013	4.221
	N	38969	0.067	422.843	120.391	5.513
PRO	H2	5	8.070	9.673	8.756	0.710
	HA	32453	0.636	135.80	4.388	0.810
	HB2	30215	-1.501	5.63	2.070	0.371
	HB3	29338	-3.48	6.10	1.996	0.383
	HD2	27944	-6.56	7.67	3.636	0.449
	HD3	26986	-6.56	8.865	3.601	0.470
	HG2	27197	-2.35	7.395	1.918	0.342
	HG3	25289	-1.520	4.92	1.894	0.351
	C	27656	0	183.517	176.632	4.453
	CA	39696	0	363.087	63.335	3.661
	CB	37012	0	333.586	31.893	3.203
	CD	24438	1.155	350.648	50.347	3.245
	CG	24350	2.436	327.402	27.283	3.766
	N	1911	3.566	430	134.549	25.752
SER	H	69484	-15.3	13.130	8.277	0.602
	HA	49487	1.277	58.739	4.477	0.477
	HB2	45408	0.61	9.182	3.867	0.278
	HB3	42163	0.61	41.7	3.843	0.345
	HG	896	0.13	11.36	5.428	1.188
	C	44913	0.000	197.1	174.584	3.295
	CA	63229	4.331	361.278	58.697	2.823
	CB	58668	-939.2800	365.087	63.727	5.052
	N	65739	0.000	416.964	116.298	4.273
THR	H	62035	0.02	21.7	8.234	0.641
	HA	43290	0.87	7.468	4.452	0.480
	HB	39827	0.087	71.587	4.167	0.660
	HG1	1567	-1.783	11.01	5.226	1.400
	MG	39699	-12.1	16.3	1.138	0.280
	C	39022	4.780	185.918	174.456	4.130
	CA	54696	0.971	92.659	62.209	2.758
	CB	50766	-939.2800	629.206	69.595	5.727
	CG2	33572	7.177	175.6	21.592	1.907
	N	58959	0.0	402	115.406	6.384
TRP	H	13659	3.421	17.315	8.269	0.781
	HA	9597	2.043	11.414	4.679	0.535
	HB2	9097	0.42	5.35	3.179	0.350
	HB3	8853	-0.3776	7.972	3.115	0.374
	HD1	8137	1.880	10.75	7.128	0.364
	HE1	9013	-1.279	131.711	10.092	1.456
	HE3	7069	1.85	12.233	7.297	0.525
	HH2	7008	2.84	10.900	6.951	0.457
	HZ2	7638	2.63	10.81	7.265	0.413
	HZ3	6823	0.76	8.898	6.847	0.474
	C	8197	2.500	184.30	175.966	6.133
	CA	11531	2.966	362.099	57.714	4.853
	CB	10770	1.6	328.795	30.091	4.831
	CD1	5173	30.236	183.141	126.317	4.503
	CD2	179	1.578	155.174	126.995	13.382
	CE2	237	56.4176	177.710	137.569	9.710
	CE3	4325	-10.872	174.807	120.167	5.596
	CG	239	4.174	116.526	110.024	9.362
	CH2	4564	-6.333	160.818	123.529	5.070
	CZ2	4929	7.107	159.041	114.030	4.651
	CZ3	4355	-8.702	161.540	121.146	4.698
	N	12441	6.712	423.160	121.657	6.084
	NE1	7375	0.53	435.960	129.263	6.357
TYR	H	35158	0.02	12.34	8.296	0.741
	HA	24506	0.442	7.160	4.609	0.563
	HB2	22892	-21.230	23.28	2.898	0.467
	HB3	22372	-21.230	23.28	2.833	0.485
	HD1	19823	0.190	10.5	6.919	0.374
	HD2	16909	0.5522	10.499	6.915	0.379
	HE1	18806	0.08	11.8	6.690	0.310
	HE2	16142	0.43	11.7	6.690	0.321
	HH	437	-0.788	31	9.105	2.092
	C	21553	2.200	184.78	175.362	4.764
	CA	30102	2.200	357.681	58.145	3.114
	CB	27946	18.38	338.686	39.312	3.156
	CD1	12047	19.589	141.572	132.366	5.219
	CD2	8295	3.492	139.644	132.372	5.192
	CE1	11851	40.435	177.717	117.721	4.094
	CE2	8185	34.1221	154.10	117.769	3.376
	CG	355	7.113	175.115	128.489	10.318
	CZ	273	6.839	165.718	155.402	14.067
	N	32679	0.2	818	120.768	12.122
VAL	H	75832	-0.41	15.050	8.272	0.683
	HA	52783	-2.83	54.971	4.168	0.630
	HB	49358	-27.480	31.75	1.979	0.453
	MG1	49442	-27.2	24.20	0.820	0.334
	MG2	48530	-27.2	56.56	0.801	0.433
	C	48931	1	205.699	175.630	3.453
	CA	67446	20.668	362.057	62.497	3.204
	CB	62559	15.597025	331.747	32.722	2.302
	CG1	43363	-7.4	321.185	21.551	2.456
	CG2	41819	-5.648	320.420	21.351	2.553
	N	72806	0.2	529	121.153	7.447