BMRB - Biological Magnetic Resonance Bank

MET HB3 Chemical Shift Outliers

Average chemical shift: 1.995
Standard deviation: 0.332

Low-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
274	80	HB3	12.85	1
285	80	HB3	12.85	1
317	80	HB3	12.1	2
337	56	HB3	3.1	2
923	85	HB3	12.94	1
1171	80	HB3	12.28	1
1719	85	HB3	12.4	1
1734	61	HB3	5.26	2
1736	80	HB3	11.97	2
2488	89	HB3	4.96	2
4249	1	HB3	3.15	2
4291	11	HB3	3.038	1
4777	78	HB3	11.26	1
4801	106	HB3	5.73	2
4801	106	HB3	5.98	2
4825	24	HB3	3.02	2
4829	18	HB3	3.048	2
5049	105	HB3	3.02	2
5172	50	HB3	12.39	2
5269	66	HB3	3.36	2
5333	11	HB3	3.08	1
5677	47	HB3	3.075	2
5689	116	HB3	3.090	1
5770	14	HB3	3.11	1
6049	3	HB3	4.360
6793	76	HB3	3.41	2
7079	74	HB3	3.096	2
7122	158	HB3	3.03	2
10311	104	HB3	3.008	2
11298	22	HB3	3.042	2
15057	91	HB3	3.202	1
15339	1	HB3	3.049	2
15791	1	HB3	3.140	2
15847	1	HB3	3.086	2
15850	1	HB3	3.136	2
15945	51	HB3	3.2190	2
16161	37	HB3	3.149	2
16306	65	HB3	4.09	1
16307	65	HB3	4.12	1
17092	11	HB3	3.072	1
17161	1	HB3	3.06	1
17226	77	HB3	3.395	2
17512	19	HB3	3.47
17693	10	HB3	4.105	2
18018	89	HB3	3.122	2
18439	110	HB3	3.3130	2
18565	47	HB3	3.136
19268	124	HB3	3.164	2
19417	75	HB3	3.174	2
19738	110	HB3	3.3130	2
19985	59	HB3	3.350	2
25243	17	HB3	3.017
25386	21	HB3	3.082	2
25588	109	HB3	3.498	2
26509	35	HB3	2.995	1
27677	177	HB3	3.0040	2
27869	48	HB3	4.280	2
30206	95	HB3	3.1950	2
34977	23	HB3	3.257	2
34977	81	HB3	3.257	2
36452	2	HB3	3.174	2
50509	3	HB3	3.012	1

High-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
131	85	HB3	-2.43	1
227	85	HB3	.14	2
228	89	HB3	.2	2
229	86	HB3	.23	2
286	80	HB3	-.2	1
316	80	HB3	.19	2
336	80	HB3	.19	2
345	85	HB3	-2.43	1
385	29	HB3	.98	1
443	29	HB3	.94	2
569	105	HB3	.44	2
1093	105	HB3	.97	2
1170	80	HB3	.2	2
1333	61	HB3	.89	2
1720	85	HB3	.28	2
1770	105	HB3	-.92	1
1771	105	HB3	-.97	1
2368	80	HB3	-2.36	1
2858	105	HB3	-.91	1
4033	72	HB3	0.86	1
4034	72	HB3	0.72	2
4079	62	HB3	0.28	2
4138	23	HB3	0.51	2
4150	86	HB3	0.677
4153	71	HB3	0.91	2
4184	69	HB3	0.74	1
4188	92	HB3	-0.10	2
4189	80	HB3	-2.64	1
4190	20	HB3	0.98	2
4271	84	HB3	0.560	1
4288	73	HB3	0.78	1
4291	69	HB3	0.705	1
4318	42	HB3	0.75	2
4370	30	HB3	0.86	2
4401	82	HB3	0.85	1
4471	78	HB3	-0.06	1
4553	31	HB3	0.59	2
4562	105	HB3	0.45	2
4578	61	HB3	-0.94	1
4641	44	HB3	0.9110
4717	101	HB3	0.87
4726	71	HB3	0.99
4800	106	HB3	0.19	2
4800	106	HB3	0.27	2
4871	141	HB3	0.68	2
4871	99	HB3	0.79	2
4942	24	HB3	0.43	2
4943	105	HB3	-0.98	2
4943	105	HB3	-0.99	2
4969	83	HB3	0.994	2
4980	30	HB3	0.81	1
5048	50	HB3	0.94	1
5055	73	HB3	0.577	2
5068	106	HB3	0.44	2
5069	106	HB3	0.46	2
5086	59	HB3	-2.59	2
5198	10	HB3	0.88	1
5222	83	HB3	-0.31	2
5304	56	HB3	-0.88	1
5304	77	HB3	0.75	2
5319	50	HB3	0.96	1
5333	69	HB3	0.57	2
5345	42	HB3	0.000	2
5352	171	HB3	0.35	2
5372	80	HB3	-0.27	1
5389	70	HB3	0.16	2
5406	80	HB3	-1.88	2
5407	65	HB3	0.839
5455	20	HB3	0.98	2
5480	72	HB3	0.680	2
5512	107	HB3	0.229	2
5537	40	HB3	0.69	1
5564	72	HB3	0.81	2
5578	49	HB3	0.98
5579	49	HB3	0.97
5595	76	HB3	0.91	2
5597	50	HB3	-2.70	1
5625	11	HB3	0.99	2
5625	69	HB3	-1.58	2
5803	106	HB3	0.45	2
5804	106	HB3	0.46	2
5844	15	HB3	0.912	2
5981	37	HB3	0.722	2
5998	97	HB3	0.65	2
6208	39	HB3	0.96	2
6634	69	HB3	-1.54	2
6658	8	HB3	0.361	2
6966	71	HB3	0.05	9
7054	120	HB3	0.91	2
7112	56	HB3	-0.443	2
7159	105	HB3	0.46
7160	105	HB3	0.44
7218	78	HB3	-0.409
7296	61	HB3	-0.904	2
10027	23	HB3	0.474	1
10039	10	HB3	0.925	2
10044	32	HB3	0.929	2
10282	22	HB3	0.550	2
10293	22	HB3	0.398	2
10312	14	HB3	0.659	2
10335	84	HB3	0.267	2
11001	162	HB3	0.59	2
11097	96	HB3	0.416	2
11106	72	HB3	0.771	2
11118	86	HB3	0.365	2
11123	35	HB3	0.933	2
11212	77	HB3	-0.551	2
11251	122	HB3	0.742	2
11256	67	HB3	0.744	2
11327	33	HB3	0.853	2
11346	30	HB3	0.087	2
11450	58	HB3	0.628	2
11484	32	HB3	0.772	2
11549	4	HB3	0.930	1
15079	40	HB3	0.169	2
15084	107	HB3	0.606	2
15085	51	HB3	0.630	2
15295	117	HB3	0.995	2
15470	72	HB3	0.9978	2
15554	74	HB3	0.799	2
15574	31	HB3	0.478	2
15597	113	HB3	0.023	2
15598	113	HB3	0.028	2
15661	100	HB3	0.976	2
15757	28	HB3	0.29	2
15763	63	HB3	0.77	2
15765	45	HB3	-0.224	1
15778	32	HB3	0.859	2
15854	107	HB3	0.470	2
15896	85	HB3	-0.056	2
15897	85	HB3	-0.056	2
16216	74	HB3	0.08	2
16305	84	HB3	0.078	2
16563	45	HB3	0.495	2
16681	57	HB3	0.848	2
16743	40	HB3	0.843	2
16764	72	HB3	0.92	2
16779	25	HB3	0.985
16789	103	HB3	0.270	2
17146	79	HB3	-2.11	2
17175	53	HB3	0.97	2
17237	23	HB3	-0.053	1
17247	19	HB3	0.123	2
17298	74	HB3	0.92	2
17369	11	HB3	0.904	2
17388	65	HB3	0.355	2
17467	52	HB3	0.8238	2
17509	128	HB3	0.533	2
17530	38	HB3	0.96	2
17551	71	HB3	0.252	2
17714	45	HB3	0.905	2
17720	3	HB3	-0.162	2
17780	40	HB3	0.971	2
17904	85	HB3	-0.477
18082	72	HB3	0.775	2
18197	34	HB3	0.863	2
18290	93	HB3	0.705	2
18292	83	HB3	0.436	2
18388	42	HB3	0.736	2
18389	42	HB3	0.951	2
18469	51	HB3	0.970	2
18480	20	HB3	0.669	2
18496	51	HB3	0.970	2
18550	45	HB3	0.899	2
18574	8	HB3	-0.417	2
18575	8	HB3	-0.425	2
18596	27	HB3	0.28	2
18628	87	HB3	-0.010	2
18632	141	HB3	0.946	2
18632	141	HB3	0.947	2
18642	38	HB3	0.1110	2
18765	79	HB3	0.313	2
18898	27	HB3	0.426	1
18953	104	HB3	0.9020	2
18954	24	HB3	0.489	1
18976	75	HB3	0.994	2
18990	111	HB3	0.1140	2
19268	44	HB3	0.899	2
19290	72	HB3	0.053	2
19315	38	HB3	0.4200	2
19417	154	HB3	0.313	2
19569	88	HB3	0.597	2
19627	89	HB3	0.719	2
19638	85	HB3	-27.312
19687	66	HB3	0.9	2
19713	3	HB3	-0.168	2
19737	25	HB3	0.840	1
19749	11	HB3	0.56	2
25016	34	HB3	0.880
25081	11	HB3	0.974	2
25102	4	HB3	0.933	2
25153	43	HB3	0.787
25251	52	HB3	0.94	2
25326	109	HB3	0.331
25371	100	HB3	0.698
25385	27	HB3	0.7103	2
25455	60	HB3	-0.514	2
25488	43	HB3	0.691	2
25489	43	HB3	0.691	2
25530	25	HB3	0.569	2
25569	9	HB3	0.986	2
25660	80	HB3	-2.814	1
25692	52	HB3	0.94	2
25870	77	HB3	0.975	1
25907	80	HB3	-0.227
25961	95	HB3	0.348
25993	102	HB3	0.919	2
26010	158	HB3	0.709
26780	78	HB3	0.987	2
27081	72	HB3	-0.158	2
27259	40	HB3	0.906	2
27264	40	HB3	0.843	2
27313	11	HB3	0.765	2
27313	45	HB3	0.520	2
27518	84	HB3	0.99	1
28046	35	HB3	0.149	2
30118	54	HB3	-0.1674	2
30154	25	HB3	0.569	2
30156	72	HB3	0.828	2
30857	44	HB3	0.923
30967	81	HB3	0.980
31108	86	HB3	0.991
34003	40	HB3	0.904
34041	47	HB3	0.289	1
34041	64	HB3	0.597	1
34058	64	HB3	0.863	2
34064	55	HB3	-0.516	1
34121	118	HB3	0.966	2
34235	16	HB3	0.901	1
34399	110	HB3	0.77	2
34643	50	HB3	0.924	2
34998	146	HB3	-0.2676
36085	77	HB3	0.549
36122	40	HB3	0.906	2
36123	40	HB3	0.843	2
36161	26	HB3	0.7100	2
36310	13	HB3	0.802	2
36473	110	HB3	0.348
50015	66	HB3	-0.277	1
50269	83	HB3	0.10	2
51154	58	HB3	0.552	2
51398	122	HB3	0.759	2
51399	122	HB3	0.858	2
51715	73	HB3	0.965	1
52557	83	HB3	0.970	1
52977	7	HB3	0.591	2
53197	205	HB3	0.4890	2
53521	114	HB3	0.9722899199	2