BMRB - Biological Magnetic Resonance Bank

GLN HB3 Chemical Shift Outliers

Average chemical shift: 2.015
Standard deviation: 0.32

Low-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
131	21	HB3	3.03	1
280	59	HB3	4.04	2
4038	65	HB3	3.04	1
4141	52	HB3	3.39	9
4181	61	HB3	3.021
4435	40	HB3	4.05	2
4621	87	HB3	20.9
4686	5	HB3	3.80	2
5172	47	HB3	4.73	2
5269	43	HB3	3.24	1
5410	9	HB3	3.533	2
5625	16	HB3	3.36	2
5701	57	HB3	3.048	2
6634	16	HB3	3.36	2
6799	15	HB3	3.27	2
11298	31	HB3	3.101	1
11298	40	HB3	3.069	2
15063	3	HB3	3.259	2
15555	2	HB3	3.077	1
15584	102	HB3	3.075	2
16024	61	HB3	3.039	2
16124	34	HB3	3.335	2
16306	42	HB3	3.17	2
16306	44	HB3	3.15	2
16307	42	HB3	3.31	1
16318	41	HB3	2.98	1
17226	58	HB3	3.273	2
17226	82	HB3	3.011	2
17481	148	HB3	3.160	1
17578	119	HB3	3.369	2
18048	7	HB3	2.99	2
19854	84	HB3	6.963	2
25477	21	HB3	3.464	2
25588	135	HB3	3.479	2
25659	17	HB3	3.239	2
25668	36	HB3	3.069	2
25854	164	HB3	14.780
25855	164	HB3	14.780
26509	26	HB3	3.433	1
26593	60	HB3	3.39	2
26725	85	HB3	4.806
27643	29	HB3	3.703
27987	21	HB3	3.641	2
52173	49	HB3	3.620

High-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
435	115	HB3	.98	2
699	8	HB3	.86	2
2278	105	HB3	.97	1
2856	26	HB3	.48	1
2999	41	HB3	.22	2
2999	47	HB3	.69	1
4039	7	HB3	-1.14	1
4041	7	HB3	-1.14	1
4042	31	HB3	0.40	2
4046	73	HB3	0.93	2
4081	62	HB3	0.54	1
4084	36	HB3	0.70	1
4087	67	HB3	0.52	2
4100	52	HB3	1.05	1
4117	81	HB3	0.19	2
4154	105	HB3	0.97	1
4206	89	HB3	0.7200	2
4234	28	HB3	1.0298	2
4256	103	HB3	1.046	1
4259	47	HB3	0.69	1
4291	16	HB3	0.622	1
4311	138	HB3	-0.216	1
4342	60	HB3	0.61	2
4384	180	HB3	0.180	2
4395	51	HB3	0.58	2
4436	40	HB3	1.01	2
4444	14	HB3	0.40
4464	5	HB3	0.73	1
4469	5	HB3	0.10	1
4514	20	HB3	0.93
4602	49	HB3	0.75	2
4639	47	HB3	0.988	1
4681	45	HB3	0.66
4681	45	HB3	0.75
4682	45	HB3	0.77
4751	117	HB3	0.72	2
4751	33	HB3	1.01	2
4814	76	HB3	1.045
4860	98	HB3	0.98	2
4871	135	HB3	0.59	2
4881	99	HB3	0.60	2
4901	19	HB3	0.38	1
4959	123	HB3	0.733	2
4980	12	HB3	0.97	2
5013	46	HB3	0.726	2
5027	88	HB3	0.62	2
5117	34	HB3	0.574	2
5126	59	HB3	0.960
5194	134	HB3	0.720	2
5211	58	HB3	0.590
5212	58	HB3	0.527
5223	36	HB3	1.016
5224	90	HB3	-0.15	2
5225	54	HB3	0.69	1
5232	117	HB3	0.77	2
5261	57	HB3	0.279	1
5261	82	HB3	0.696	2
5333	16	HB3	0.50	2
5338	40	HB3	1.006	1
5346	28	HB3	1.01	1
5363	60	HB3	0.280	1
5365	61	HB3	-0.053	2
5492	47	HB3	0.87	1
5497	89	HB3	1.01	2
5558	47	HB3	-0.515	1
5583	33	HB3	0.33	1
5595	37	HB3	0.84	2
5701	81	HB3	0.605	2
5897	147	HB3	0.5590	2
5948	26	HB3	0.57	2
5949	26	HB3	0.57	2
5981	170	HB3	0.033	2
5991	36	HB3	1.025	2
6051	23	HB3	0.695	2
6125	85	HB3	-0.21	2
6131	47	HB3	0.783	1
6134	17	HB3	1.03	1
6253	120	HB3	0.926	1
6330	35	HB3	-1.34	1
6331	16	HB3	-0.024	2
6336	35	HB3	-1.42	2
6343	60	HB3	0.91	2
6361	64	HB3	0.763	2
6385	71	HB3	0.736	1
6419	33	HB3	1.01	1
6551	49	HB3	1.030
6648	63	HB3	0.612	1
6711	114	HB3	0.59	1
6745	158	HB3	0.995	2
6760	111	HB3	0.37	2
6821	153	HB3	0.898
6873	264	HB3	-0.020	2
6903	25	HB3	0.6110	1
6903	84	HB3	0.8328	1
6904	25	HB3	0.510	1
6904	84	HB3	0.83	1
6921	53	HB3	0.900	2
6928	67	HB3	1.030	2
7004	17	HB3	0.98	2
7053	57	HB3	0.47	2
7061	45	HB3	0.9800
7082	35	HB3	1.04	2
7105	19	HB3	0.692	2
7118	11	HB3	0.990
7150	46	HB3	0.99	1
7166	47	HB3	0.738	2
7206	15	HB3	0.58	1
7242	188	HB3	0.780	2
10004	21	HB3	0.503	1
10006	48	HB3	1.048	2
10063	44	HB3	-0.942	2
10065	43	HB3	0.195	2
10076	105	HB3	-0.520	2
10085	63	HB3	0.650	2
10087	58	HB3	0.993	2
10102	65	HB3	0.712	2
10115	41	HB3	0.618	2
10115	77	HB3	0.014	2
10120	117	HB3	0.716	2
10168	24	HB3	0.884	2
10187	24	HB3	0.882	2
10188	24	HB3	0.956	2
10197	24	HB3	0.915	2
10205	24	HB3	0.987	2
10231	23	HB3	0.838	2
10234	24	HB3	0.984	2
10249	27	HB3	0.244	2
10251	27	HB3	0.198	2
10260	53	HB3	0.729	2
10270	86	HB3	0.908	2
10278	17	HB3	-0.217	2
10300	86	HB3	-0.571	2
10304	24	HB3	0.922	2
10310	24	HB3	0.925	2
10311	20	HB3	0.077	2
10314	17	HB3	-0.488	2
10314	43	HB3	0.792	2
10317	30	HB3	-0.497	2
10323	31	HB3	0.898	2
11085	19	HB3	1.033	2
11086	44	HB3	0.983	2
11089	31	HB3	0.116	2
11110	50	HB3	1.002	2
11115	20	HB3	-0.883	2
11115	49	HB3	0.978	2
11121	64	HB3	0.849	2
11125	79	HB3	0.666	2
11139	85	HB3	0.934	2
11148	102	HB3	-0.584	2
11152	93	HB3	-0.350	2
11167	24	HB3	0.937	2
11175	147	HB3	0.852	1
11205	58	HB3	1.040	2
11292	62	HB3	0.778	2
11316	68	HB3	0.902	2
11321	64	HB3	1.001	2
11345	85	HB3	-0.117	2
11349	9	HB3	0.785	2
11362	20	HB3	-0.642	2
11362	49	HB3	1.027	2
11376	86	HB3	0.958	2
11390	60	HB3	0.326	2
11422	26	HB3	1.045	2
11469	26	HB3	1.025	2
11475	14	HB3	0.913	2
11478	14	HB3	0.531	2
11488	42	HB3	0.908	2
11501	38	HB3	0.540	2
11578	19	HB3	0.3570	2
11578	68	HB3	0.9460	1
11594	19	HB3	0.4030	1
11594	68	HB3	0.8630	1
15057	96	HB3	0.018	1
15109	56	HB3	-1.231	2
15246	93	HB3	0.766	2
15265	25	HB3	0.73	2
15356	37	HB3	0.488	2
15373	18	HB3	1.00	2
15382	45	HB3	0.54
15585	61	HB3	0.047	2
15603	44	HB3	1.039	2
15700	99	HB3	0.126	2
15757	15	HB3	0.74	2
15850	17	HB3	0.949	2
15996	15	HB3	0.273	2
16082	41	HB3	0.944	2
16107	47	HB3	0.239	2
16193	56	HB3	0.797	2
16209	20	HB3	-0.783	2
16210	20	HB3	-0.992	2
16278	63	HB3	1.024	2
16353	17	HB3	0.058	2
16449	40	HB3	0.914
16545	17	HB3	0.762	2
16680	73	HB3	0.418	2
16684	62	HB3	0.503909827017	2
16691	50	HB3	1.03	2
16745	6	HB3	0.652	1
16773	67	HB3	0.999	2
16790	57	HB3	0.068	2
16983	26	HB3	-0.560	2
16995	53	HB3	0.89	2
17160	30	HB3	0.94	2
17191	32	HB3	0.970	2
17272	31	HB3	0.777	2
17272	84	HB3	0.701	2
17273	31	HB3	0.777	2
17273	84	HB3	0.701	2
17388	10	HB3	0.921	2
17405	10	HB3	1.032	2
17479	54	HB3	0.953	1
17510	108	HB3	0.807	2
17521	86	HB3	0.933	2
17541	13	HB3	0.837	2
17542	16	HB3	0.837	2
17576	121	HB3	0.889	2
17582	121	HB3	0.887	2
17585	96	HB3	0.428	2
17595	104	HB3	0.951	2
17622	28	HB3	0.868	2
17623	28	HB3	0.876	2
17632	102	HB3	0.945	2
17691	18	HB3	0.788	2
17754	37	HB3	0.63	2
17783	29	HB3	0.681	2
17806	19	HB3	0.756	2
17838	134	HB3	0.71	2
17963	26	HB3	0.574	2
18004	40	HB3	0.032	2
18053	101	HB3	-0.175	2
18135	62	HB3	0.944	2
18415	52	HB3	1.031	2
18728	37	HB3	0.702	2
18758	58	HB3	0.830	2
18813	31	HB3	0.242	2
18853	47	HB3	-0.376	2
18908	67	HB3	1.049	2
18919	54	HB3	0.570
19045	136	HB3	0.644	2
19047	20	HB3	-0.033	1
19047	20	HB3	-0.075	1
19048	20	HB3	0.010	1
19048	20	HB3	-0.024	1
19178	92	HB3	1.015	2
19198	10	HB3	0.949	2
19219	40	HB3	0.430	2
19220	43	HB3	0.440	2
19229	33	HB3	0.833	2
19248	30	HB3	0.912
19328	21	HB3	-0.75	2
19423	101	HB3	0.951	2
19461	93	HB3	0.969	1
19462	93	HB3	1.049	1
19463	93	HB3	0.925	1
19508	41	HB3	0.924	2
19551	203	HB3	0.727	2
19842	187	HB3	0.678	2
19843	42	HB3	1.03
19846	4	HB3	0.383163
19945	91	HB3	0.485
19947	41	HB3	1.01	2
19963	41	HB3	0.99	2
25027	85	HB3	-0.824	2
25042	57	HB3	0.867	1
25109	65	HB3	0.417	2
25153	90	HB3	0.299
25155	90	HB3	0.648
25170	2	HB3	0.863	1
25306	76	HB3	-0.947	2
25306	9	HB3	-0.797	2
25324	75	HB3	-0.947	2
25324	8	HB3	-0.797	2
25343	42	HB3	0.892	1
25498	16	HB3	1.029	2
25514	94	HB3	1.022
25612	24	HB3	0.829	2
25690	123	HB3	0.2120	2
25778	33	HB3	0.848	2
25790	33	HB3	0.867
25791	33	HB3	0.867
25828	64	HB3	0.983	2
25833	64	HB3	0.983	2
25834	172	HB3	0.623	2
25839	142	HB3	0.238	2
25839	27	HB3	0.991	2
26016	126	HB3	0.179	2
26558	139	HB3	-0.097	2
26577	82	HB3	0.297	2
26582	82	HB3	0.922	2
26909	99	HB3	0.319	1
27277	34	HB3	0.35	2
27439	35	HB3	0.467	2
27536	91	HB3	0.92	2
27579	109	HB3	0.762	2
27893	32	HB3	1.008	1
28074	59	HB3	-0.247	2
28102	63	HB3	1.05	2
30010	46	HB3	0.335
30066	13	HB3	0.908
30177	26	HB3	-1.4980	2
30209	97	HB3	0.982
30242	2	HB3	0.841	2
30333	5	HB3	0.99	1
30584	52	HB3	0.103	9
30658	57	HB3	0.570	2
30793	17	HB3	0.601	2
30793	22	HB3	0.854	1
30793	4	HB3	0.946	2
30858	2	HB3	0.000
31105	20	HB3	1.016	1
31141	24	HB3	0.858
34044	38	HB3	0.560	2
34079	36	HB3	0.718	1
34139	96	HB3	0.763
34140	77	HB3	-0.995	2
34193	26	HB3	-0.065	2
34196	26	HB3	0.098	2
34218	145	HB3	0.102	2
34219	145	HB3	0.056	2
34219	50	HB3	1.034	2
34285	53	HB3	0.932
34419	8	HB3	-0.182
34572	32	HB3	0.881	2
34573	32	HB3	-0.134	2
34692	101	HB3	0.926
34746	6	HB3	-0.183	1
34747	6	HB3	-0.448	1
34776	21	HB3	0.662	2
36013	19	HB3	0.3870	2
36027	15	HB3	1.002	2
36048	22	HB3	1.006
36068	6	HB3	0.904	2
36101	19	HB3	0.3910	2
50218	55	HB3	-0.899
50646	4	HB3	0.4902	1
51034	109	HB3	0.768	2
51043	109	HB3	0.760	1
51184	64	HB3	0.434	2
51674	73	HB3	-0.889	1
52205	68	HB3	0.865	2