VAL HB Chemical Shift Outliers

___________________________________________________

VAL HB Chemical Shift Statistics
Chemical shifts observed	Average chemical shift	Minimum chemical shift	Maximum chemical shift	Standard deviation
35661	1.984	-1.24	3.758	0.313

Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession number	Residue number	Residue type	Atom name	Chemical shift	Ambiguity code
11298	54	VAL	HB	2.925	1
6265	24	VAL	HB	2.93	1
18320	50	VAL	HB	2.933	1
19397	36	VAL	HB	2.935	.
16929	54	VAL	HB	2.938	1
4033	9	VAL	HB	2.94	1
16428	78	VAL	HB	2.948	1
6011	89	VAL	HB	2.95	1
7059	131	VAL	HB	2.95	1
10075	21	VAL	HB	2.951	1
26660	98	VAL	HB	2.953	1
18101	76	VAL	HB	2.955	1
30126	19	VAL	HB	2.957	1
26659	98	VAL	HB	2.958	1
26661	98	VAL	HB	2.967	1
18422	30	VAL	HB	2.97	1
36080	7	VAL	HB	2.972	.
11299	46	VAL	HB	2.976	1
6000	123	VAL	HB	2.98	1
16139	81	VAL	HB	2.98	.
36075	19	VAL	HB	2.98	1
5163	41	VAL	HB	2.987	.
17578	41	VAL	HB	2.988	1
5842	40	VAL	HB	2.99	1
17160	32	VAL	HB	2.99	1
16009	32	VAL	HB	2.99	1
4034	9	VAL	HB	2.99	1
17446	193	VAL	HB	2.994	1
16321	111	VAL	HB	2.998	1
6226	100	VAL	HB	3	1
15438	7	VAL	HB	3	1
17880	68	VAL	HB	3	1
16708	42	VAL	HB	3.01	1
19711	30	VAL	HB	3.012	1
18045	148	VAL	HB	3.02	1
27062	127	VAL	HB	3.031	1
17532	162	VAL	HB	3.033	1
16862	162	VAL	HB	3.033	1
17880	59	VAL	HB	3.04	1
18613	5	VAL	HB	3.06	1
6226	16	VAL	HB	3.07	1
6287	31	VAL	HB	3.129	1
11298	41	VAL	HB	3.16	1
30375	98	VAL	HB	3.164	.
11298	28	VAL	HB	3.197	1
30611	77	VAL	HB	3.21	1
26661	14	VAL	HB	3.229	1
26661	14	VAL	HB	3.229	1
26659	14	VAL	HB	3.23	1
26660	14	VAL	HB	3.248	1
11298	38	VAL	HB	3.279	1
5237	43	VAL	HB	3.319	1
27192	164	VAL	HB	3.377	1
25693	21	VAL	HB	3.758	1

High-field Shifts > Three Sigma from the Average Chemical Shift
Accession number	Residue number	Residue type	Atom name	Chemical shift	Ambiguity code
11232	86	VAL	HB	-.007	1
16691	21	VAL	HB	-.02	1
10327	91	VAL	HB	-.022	1
11111	62	VAL	HB	-.022	1
30131	62	VAL	HB	-.041	1
10146	68	VAL	HB	-.045	1
10333	87	VAL	HB	-.048	1
10321	85	VAL	HB	-.056	1
18292	59	VAL	HB	-.061	1
18464	144	VAL	HB	-.071	1
10162	77	VAL	HB	-.078	1
7009	132	VAL	HB	-.092	.
30130	62	VAL	HB	-.096	1
11357	25	VAL	HB	-.1	1
26517	22	VAL	HB	-.136	1
16216	8	VAL	HB	-.15	1
27078	24	VAL	HB	-.15	1
26853	62	VAL	HB	-.153	1
25925	54	VAL	HB	-.172	1
30220	54	VAL	HB	-.185	1
30220	54	VAL	HB	-.185	1
16444	54	VAL	HB	-.211	1
16370	90	VAL	HB	-.225	1
10271	93	VAL	HB	-.228	1
4381	7	VAL	HB	-.254	1
16872	16	VAL	HB	-.255	1
25909	55	VAL	HB	-.257	1
16882	54	VAL	HB	-.273	1
7280	56	VAL	HB	-.28	1
25910	55	VAL	HB	-.288	1
2575	54	VAL	HB	-.29	1
27169	55	VAL	HB	-.294	1
5151	55	VAL	HB	-.32	1
6578	95	VAL	HB	-.321	1
4109	79	VAL	HB	-.321	1
19394	54	VAL	HB	-.324	1
6869	99	VAL	HB	-.34	1
30088	54	VAL	HB	-.344	1
25807	54	VAL	HB	-.354	1
18531	54	VAL	HB	-.37	1
6201	78	VAL	HB	-.379	1
4109	79	VAL	HB	-.393	1
11308	81	VAL	HB	-.395	1
16958	54	VAL	HB	-.415	1
4109	79	VAL	HB	-.429	1
6159	30	VAL	HB	-.46	1
19404	102	VAL	HB	-.52	1
15554	9	VAL	HB	-.526	1
4288	8	VAL	HB	-.54	1
10253	14	VAL	HB	-.619	1
17318	11	VAL	HB	-.809	1
18045	9	VAL	HB	-.82	1
16180	12	VAL	HB	-1.194	1
16179	12	VAL	HB	-1.2	1
16181	12	VAL	HB	-1.2	1
19109	14	VAL	HB	-1.218	1
15279	46	VAL	HB	-1.219	1
16671	12	VAL	HB	-1.24	1
10320	88	VAL	HB	.003	1
10332	67	VAL	HB	.012	1
25995	47	VAL	HB	.022	1
5679	56	VAL	HB	.03	1
18156	44	VAL	HB	.04	1
10328	72	VAL	HB	.048	1
4758	61	VAL	HB	.05	1
1639	59	VAL	HB	.05	1
16803	40	VAL	HB	.053	1
15924	154	VAL	HB	.055	1
10330	68	VAL	HB	.057	1
11294	81	VAL	HB	.059	1
26991	41	VAL	HB	.065	1
25979	28	VAL	HB	.068	1
6376	83	VAL	HB	.07	1
4022	143	VAL	HB	.07	1
10160	78	VAL	HB	.071	1
10334	68	VAL	HB	.077	1
17809	89	VAL	HB	.08	1
16712	56	VAL	HB	.094	1
6988	60	VAL	HB	.096	1
16713	56	VAL	HB	.099	1
25979	19	VAL	HB	.103	1
15777	62	VAL	HB	.11	1
34061	42	VAL	HB	.121	1
10028	21	VAL	HB	.124	1
10143	82	VAL	HB	.134	1
5786	119	VAL	HB	.14	1
10253	88	VAL	HB	.145	1
4195	39	VAL	HB	.15	1
18186	29	VAL	HB	.156	1
17039	54	VAL	HB	.16	1
15074	46	VAL	HB	.164	1
5165	136	VAL	HB	.179	1
19987	60	VAL	HB	.18	1
10163	70	VAL	HB	.189	1
1766	86	VAL	HB	.2	1
16016	22	VAL	HB	.2	1
15607	78	VAL	HB	.211	1
10312	88	VAL	HB	.213	1
15925	154	VAL	HB	.214	1
27168	54	VAL	HB	.216	1
27167	54	VAL	HB	.216	1
5025	39	VAL	HB	.22	1
36133	99	VAL	HB	.22	1
11246	112	VAL	HB	.224	1
17586	72	VAL	HB	.231	1
19033	53	VAL	HB	.231	1
18663	173	VAL	HB	.233	1
19952	115	VAL	HB	.234	1
19538	87	VAL	HB	.234	1
18876	73	VAL	HB	.241	1
7008	152	VAL	HB	.249	.
30321	31	VAL	HB	.252	1
15927	101	VAL	HB	.256	1
4159	36	VAL	HB	.256	1
19001	45	VAL	HB	.288	9
10323	71	VAL	HB	.291	1
10075	65	VAL	HB	.297	1
18156	39	VAL	HB	.3	1
2331	36	VAL	HB	.3	1
695	86	VAL	HB	.31	1
6585	83	VAL	HB	.313	1
15893	78	VAL	HB	.317	1
6475	85	VAL	HB	.32	1
11569	93	VAL	HB	.32	1
5006	39	VAL	HB	.32	1
16361	6	VAL	HB	.323	1
5407	94	VAL	HB	.335	.
18250	95	VAL	HB	.339	1
25700	62	VAL	HB	.339	.
25020	94	VAL	HB	.34	.
4022	68	VAL	HB	.34	1
6536	37	VAL	HB	.341	1
6539	37	VAL	HB	.341	1
6334	26	VAL	HB	.342	1
10161	69	VAL	HB	.345	1
11117	48	VAL	HB	.346	1
11425	33	VAL	HB	.348	1
27593	112	VAL	HB	.348	1
16362	100	VAL	HB	.354	1
16630	100	VAL	HB	.36	1
6612	75	VAL	HB	.37	.
6904	6	VAL	HB	.37	1
15537	54	VAL	HB	.379	1
4425	66	VAL	HB	.38	1
7024	41	VAL	HB	.385	.
6766	46	VAL	HB	.389	1
6603	67	VAL	HB	.391	1
11253	12	VAL	HB	.394	1
15785	86	VAL	HB	.4	.
17165	38	VAL	HB	.405	1
6288	38	VAL	HB	.406	.
17902	149	VAL	HB	.409	1
4946	84	VAL	HB	.41	1
4946	20	VAL	HB	.41	1
11160	52	VAL	HB	.418	1
5783	38	VAL	HB	.418	1
16154	73	VAL	HB	.42	1
16051	73	VAL	HB	.42	1
4623	71	VAL	HB	.42	1
25016	94	VAL	HB	.424	.
15480	38	VAL	HB	.428	1
19516	6	VAL	HB	.428	1
16347	139	VAL	HB	.43	1
15761	18	VAL	HB	.43	1
16347	77	VAL	HB	.43	1
16096	47	VAL	HB	.434	1
5784	38	VAL	HB	.435	1
17853	91	VAL	HB	.436	1
30537	43	VAL	HB	.44	1
17890	149	VAL	HB	.44	1
5169	38	VAL	HB	.443	1
18380	49	VAL	HB	.447	1
18574	39	VAL	HB	.448	1
3078	37	VAL	HB	.45	1
4838	39	VAL	HB	.45	1
5782	35	VAL	HB	.45	1
27078	102	VAL	HB	.45	1
16355	15	VAL	HB	.455	1
15661	101	VAL	HB	.456	1
25809	38	VAL	HB	.456	.
19014	56	VAL	HB	.459	1
19938	35	VAL	HB	.46	1
27271	23	VAL	HB	.462	1
10325	45	VAL	HB	.464	1
30075	28	VAL	HB	.464	1
30246	132	VAL	HB	.466	.
18575	39	VAL	HB	.468	1
25346	79	VAL	HB	.47	1
10042	49	VAL	HB	.48	1
5024	39	VAL	HB	.49	1
30290	19	VAL	HB	.491	.
7365	27	VAL	HB	.5	1
17806	81	VAL	HB	.502	1
16491	8	VAL	HB	.503	1
17279	61	VAL	HB	.503	1
16649	41	VAL	HB	.507	1
10273	85	VAL	HB	.51	1
16406	8	VAL	HB	.513	1
7116	82	VAL	HB	.52	1
8	39	VAL	HB	.52	1
17822	94	VAL	HB	.528	1
16587	38	VAL	HB	.53	1
6829	27	VAL	HB	.532	1
25801	26	VAL	HB	.538	1
6885	67	VAL	HB	.54	1
15434	48	VAL	HB	.54	1
15433	48	VAL	HB	.54	1
5299	189	VAL	HB	.54	1
17275	23	VAL	HB	.547	1
7204	121	VAL	HB	.547	1
17124	74	VAL	HB	.547	1
18758	32	VAL	HB	.55	1
7053	31	VAL	HB	.55	1
6447	29	VAL	HB	.55	1
11141	37	VAL	HB	.559	1
15800	98	VAL	HB	.56	1
30480	85	VAL	HB	.563	.
11111	70	VAL	HB	.564	1
7094	47	VAL	HB	.571	1
17783	65	VAL	HB	.574	1
5073	41	VAL	HB	.576	.
25658	56	VAL	HB	.577	1
16008	30	VAL	HB	.58	1
17242	21	VAL	HB	.581	1
6012	22	VAL	HB	.581	1
6015	49	VAL	HB	.582	1
16277	84	VAL	HB	.584	1
7249	120	VAL	HB	.589	1
15403	71	VAL	HB	.59	1
18094	27	VAL	HB	.59	1
4838	40	VAL	HB	.59	1
15469	70	VAL	HB	.596	1
19179	67	VAL	HB	.602	1
5025	40	VAL	HB	.61	1
6644	81	VAL	HB	.61	1
15893	135	VAL	HB	.61	1
7054	46	VAL	HB	.61	1
17268	21	VAL	HB	.612	1
15618	56	VAL	HB	.613	1
4241	71	VAL	HB	.615	1
5782	35	VAL	HB	.617	1
16613	56	VAL	HB	.619	1
16018	97	VAL	HB	.622	1
15327	54	VAL	HB	.63	1
10260	81	VAL	HB	.631	1
15722	68	VAL	HB	.631	1
6475	64	VAL	HB	.633	1
16397	22	VAL	HB	.637	1
17841	54	VAL	HB	.639	1
18210	125	VAL	HB	.644	1
10093	17	VAL	HB	.645	1
34180	70	VAL	HB	.646	1
16372	130	VAL	HB	.65	1
4249	6	VAL	HB	.66	1
11109	21	VAL	HB	.663	1
26010	50	VAL	HB	.667	.
6946	112	VAL	HB	.67	1
18092	94	VAL	HB	.673	1
11400	48	VAL	HB	.688	1
15893	75	VAL	HB	.693	1
25109	71	VAL	HB	.694	1
11486	32	VAL	HB	.697	1
7256	72	VAL	HB	.7	1
62	16	VAL	HB	.7	1
27536	41	VAL	HB	.7	1
11203	74	VAL	HB	.703	1
11488	87	VAL	HB	.712	1
16007	119	VAL	HB	.718	1
11413	45	VAL	HB	.718	1
11320	44	VAL	HB	.728	1
15415	10	VAL	HB	.73	1
4857	97	VAL	HB	.73	1
16442	101	VAL	HB	.73	1
25639	61	VAL	HB	.73	1
27593	45	VAL	HB	.731	1
16675	39	VAL	HB	.734	1
17840	54	VAL	HB	.735	1
15057	71	VAL	HB	.736	1
11487	59	VAL	HB	.736	1
15804	136	VAL	HB	.736	1
34179	70	VAL	HB	.737	1
5683	12	VAL	HB	.742	.
30325	68	VAL	HB	.744	1
10076	118	VAL	HB	.744	1
10164	14	VAL	HB	.746	1
27687	23	VAL	HB	.753	1
16205	235	VAL	HB	.754	1
15429	48	VAL	HB	.764	1
5152	54	VAL	HB	.766	1
25259	27	VAL	HB	.769	1
16065	78	VAL	HB	.769	1
2198	40	VAL	HB	.77	1
17299	20	VAL	HB	.773	1
18053	88	VAL	HB	.774	1
17300	20	VAL	HB	.776	1
34181	70	VAL	HB	.778	1
10141	116	VAL	HB	.788	1
5490	23	VAL	HB	.79	1
4671	23	VAL	HB	.79	1
25130	70	VAL	HB	.795	1
16021	89	VAL	HB	.797	1
16361	73	VAL	HB	.797	1
11073	89	VAL	HB	.798	1
11335	29	VAL	HB	.799	1
4336	68	VAL	HB	.8	1
5404	59	VAL	HB	.8	1
15408	55	VAL	HB	.802	1
6644	113	VAL	HB	.81	1
4956	86	VAL	HB	.81	1
27497	52	VAL	HB	.81	1
18053	127	VAL	HB	.81	1
30223	54	VAL	HB	.818	1
30222	54	VAL	HB	.818	1
16679	147	VAL	HB	.819	1
25663	57	VAL	HB	.822	.
16572	78	VAL	HB	.822	1
11480	14	VAL	HB	.824	1
26717	89	VAL	HB	.83	1
4049	15	VAL	HB	.83	1
18281	24	VAL	HB	.83	1
25171	80	VAL	HB	.83	.
25102	33	VAL	HB	.832	1
10260	78	VAL	HB	.837	1
18507	31	VAL	HB	.838	1
11591	45	VAL	HB	.839	1
1205	68	VAL	HB	.84	1
17160	131	VAL	HB	.84	1
4933	22	VAL	HB	.84	1
4930	22	VAL	HB	.84	1
6341	123	VAL	HB	.844	2
17586	9	VAL	HB	.848	1
823	68	VAL	HB	.85	1
17381	74	VAL	HB	.851	1
16117	54	VAL	HB	.851	1
11485	30	VAL	HB	.859	1
5946	49	VAL	HB	.859	1
34182	70	VAL	HB	.861	1
25546	52	VAL	HB	.864	1
27506	138	VAL	HB	.864	1
7119	52	VAL	HB	.864	1
6238	24	VAL	HB	.865	1
30070	72	VAL	HB	.867	1
6960	81	VAL	HB	.869	.
11287	52	VAL	HB	.875	1
5602	12	VAL	HB	.876	1
1205	17	VAL	HB	.88	1
5807	85	VAL	HB	.88	1
11211	81	VAL	HB	.88	1
18551	33	VAL	HB	.88	1
27677	11	VAL	HB	.88	1
27262	50	VAL	HB	.88	1
30325	4	VAL	HB	.883	1
34247	84	VAL	HB	.884	1
19003	32	VAL	HB	.886	1
19521	130	VAL	HB	.886	1
25377	52	VAL	HB	.887	1
27268	122	VAL	HB	.89	.
6012	37	VAL	HB	.894	1
6432	50	VAL	HB	.897	1
10038	92	VAL	HB	.898	1
10138	54	VAL	HB	.899	1
11380	35	VAL	HB	.9	1
1135	6	VAL	HB	.9	1
11405	72	VAL	HB	.904	1
7298	101	VAL	HB	.907	1
18047	67	VAL	HB	.912	1
34013	34	VAL	HB	.914	1
27030	62	VAL	HB	.916	1
5820	163	VAL	HB	.917	.
6759	77	VAL	HB	.918	.
18837	77	VAL	HB	.918	1
17622	147	VAL	HB	.918	1
5065	46	VAL	HB	.92	1
260	40	VAL	HB	.92	1
19687	111	VAL	HB	.921	1
15280	63	VAL	HB	.922	1
17683	28	VAL	HB	.922	1
1202	17	VAL	HB	.93	1
4206	166	VAL	HB	.93	1
4318	93	VAL	HB	.93	1
18422	24	VAL	HB	.93	1
17824	30	VAL	HB	.931	1
15627	112	VAL	HB	.931	1
19066	105	VAL	HB	.931	1
19256	105	VAL	HB	.93692	.
27595	63	VAL	HB	.939	1
15867	135	VAL	HB	.94	1
15217	52	VAL	HB	.94	1
6972	21	VAL	HB	.94	1
18990	30	VAL	HB	.94	1
79	40	VAL	HB	.94	1
171	31	VAL	HB	.94	1
34101	53	VAL	HB	.945	1
34218	134	VAL	HB	.946	1
15702	46	VAL	HB	.95	1
6585	46	VAL	HB	.95	1
19685	58	VAL	HB	.95	1
5072	116	VAL	HB	.952	1
5758	28	VAL	HB	.955	1
25968	23	VAL	HB	.95705	1
10056	84	VAL	HB	.958	1
17315	87	VAL	HB	.959	1
15059	17	VAL	HB	.959	1
19117	106	VAL	HB	.959	1
5329	42	VAL	HB	.96	1
16236	87	VAL	HB	.96	1
34167	32	VAL	HB	.962	1
18111	40	VAL	HB	.963	1
15618	7	VAL	HB	.964	1
34336	56	VAL	HB	.967	.
34248	84	VAL	HB	.967	1
6237	10	VAL	HB	.967	1
19153	106	VAL	HB	.968	1
6759	62	VAL	HB	.969	.
16613	7	VAL	HB	.97	1
15585	27	VAL	HB	.976	1
6936	32	VAL	HB	.977	1
15684	68	VAL	HB	.977	.
6840	110	VAL	HB	.98	1
5025	57	VAL	HB	.98	1
18053	36	VAL	HB	.98	1
5862	15	VAL	HB	.98	1
11311	114	VAL	HB	.984	1
19225	61	VAL	HB	.987	1
30098	51	VAL	HB	.988	1
4019	40	VAL	HB	.99	1
6447	52	VAL	HB	.99	1
16186	30	VAL	HB	.99	1
169	40	VAL	HB	.99	1
18466	109	VAL	HB	.99	1
11414	88	VAL	HB	.991	1
25893	79	VAL	HB	.991	1
10046	72	VAL	HB	.996	1
16319	24	VAL	HB	.997	1
17085	51	VAL	HB	.997	1
18303	201	VAL	HB	.999	1
19413	44	VAL	HB	1	1
36084	24	VAL	HB	1	1
6318	75	VAL	HB	1	1
11181	89	VAL	HB	1.003	1
18467	109	VAL	HB	1.004	1
17477	76	VAL	HB	1.005	1
11036	142	VAL	HB	1.009	1
4304	116	VAL	HB	1.01	1
4282	72	VAL	HB	1.01	1
27078	140	VAL	HB	1.01	1
17826	127	VAL	HB	1.011	1
16944	14	VAL	HB	1.013	1
17704	68	VAL	HB	1.015	1
5774	48	VAL	HB	1.02	1
19984	151	VAL	HB	1.02	1
4035	68	VAL	HB	1.02	1
15469	21	VAL	HB	1.022	1
6960	53	VAL	HB	1.023	.
11106	97	VAL	HB	1.026	1
16934	128	VAL	HB	1.028	1
4234	21	VAL	HB	1.029	1
4022	49	VAL	HB	1.03	1
16103	35	VAL	HB	1.031	1
5623	19	VAL	HB	1.032	1
34057	75	VAL	HB	1.036	.
26061	119	VAL	HB	1.036	.
17902	136	VAL	HB	1.037	1
18197	108	VAL	HB	1.039	1
25967	26	VAL	HB	1.039	1
11376	48	VAL	HB	1.039	1
4917	77	VAL	HB	1.04	1
16884	58	VAL	HB	1.04	1
4917	77	VAL	HB	1.04	1
36018	42	VAL	HB	1.04	1
16688	15	VAL	HB	1.04	1
5998	69	VAL	HB	1.04	1
11029	52	VAL	HB	1.042	1
18592	26	VAL	HB	1.044	1
19735	38	VAL	HB	1.044	1