LEU HB3 Chemical Shift Outliers

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LEU HB3 Chemical Shift Statistics
Chemical shifts observed	Average chemical shift	Minimum chemical shift	Maximum chemical shift	Standard deviation
21002	1.536	-1.79	8.39	0.387

Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession number	Residue number	Residue type	Atom name	Chemical shift	Ambiguity code
4435	20	LEU	HB3	2.7	1
4825	12	LEU	HB3	2.71	2
6583	82	LEU	HB3	2.72	1
5701	73	LEU	HB3	2.73	2
15296	37	LEU	HB3	2.73	1
6586	80	LEU	HB3	2.732	1
4602	46	LEU	HB3	2.74	1
5809	101	LEU	HB3	2.75	2
6230	28	LEU	HB3	2.76	1
5239	97	LEU	HB3	2.76	2
5780	73	LEU	HB3	2.77	1
1203	104	LEU	HB3	2.77	2
5627	204	LEU	HB3	2.77	2
5809	101	LEU	HB3	2.78	2
15750	48	LEU	HB3	2.8	2
6372	65	LEU	HB3	2.8	1
7021	135	LEU	HB3	2.814	1
1204	104	LEU	HB3	2.82	2
6142	91	LEU	HB3	2.83	1
6532	79	LEU	HB3	2.892	.
7121	164	LEU	HB3	2.9	2
4210	14	LEU	HB3	2.91	1
15348	16	LEU	HB3	2.917	2
5213	6	LEU	HB3	2.92	1
6230	28	LEU	HB3	2.92	1
5141	4	LEU	HB3	2.94	1
4837	73	LEU	HB3	2.94	2
6213	78	LEU	HB3	2.949	2
6967	56	LEU	HB3	2.96	2
7189	31	LEU	HB3	2.996	1
6049	7	LEU	HB3	3.013	.
4589	86	LEU	HB3	3.07	.
6147	57	LEU	HB3	3.072	1
4821	144	LEU	HB3	3.108	1
4435	101	LEU	HB3	3.11	2
15091	113	LEU	HB3	3.148	1
6089	69	LEU	HB3	3.184	9
6230	88	LEU	HB3	3.25	1
6230	88	LEU	HB3	3.31	1
5625	97	LEU	HB3	3.46	2
5809	83	LEU	HB3	3.52	1
6634	97	LEU	HB3	3.52	2
6965	123	LEU	HB3	3.59	9
4353	30	LEU	HB3	3.59	1
5809	83	LEU	HB3	3.63	1
1413	89	LEU	HB3	3.7	1
5345	62	LEU	HB3	3.74	1
5809	86	LEU	HB3	3.81	1
6230	91	LEU	HB3	3.85	1
6230	91	LEU	HB3	3.85	1
5809	86	LEU	HB3	3.89	1
5005	41	LEU	HB3	3.91	1
4076	93	LEU	HB3	4.83	2
5540	124	LEU	HB3	5.6	2
1439	27	LEU	HB3	8.39	1

High-field Shifts > Three Sigma from the Average Chemical Shift
Accession number	Residue number	Residue type	Atom name	Chemical shift	Ambiguity code
7414	78	LEU	HB3	-.001	2
7271	139	LEU	HB3	-.001	2
10068	46	LEU	HB3	-.002	2
6476	52	LEU	HB3	-.002	2
2151	24	LEU	HB3	-.01	1
15554	50	LEU	HB3	-.014	2
5969	45	LEU	HB3	-.02	2
6475	93	LEU	HB3	-.024	2
4267	138	LEU	HB3	-.03	1
5774	32	LEU	HB3	-.03	2
4333	57	LEU	HB3	-.035	2
6850	13	LEU	HB3	-.038	2
6313	125	LEU	HB3	-.04	2
6240	125	LEU	HB3	-.0487	1
4757	39	LEU	HB3	-.06	1
6929	75	LEU	HB3	-.074	1
15063	29	LEU	HB3	-.075	2
5579	93	LEU	HB3	-.08	.
6080	114	LEU	HB3	-.093	1
4884	70	LEU	HB3	-.1	1
10089	132	LEU	HB3	-.108	2
6125	22	LEU	HB3	-.11	2
5578	115	LEU	HB3	-.11	.
6884	45	LEU	HB3	-.11	2
7007	47	LEU	HB3	-.112	2
4675	97	LEU	HB3	-.131	1
5310	95	LEU	HB3	-.14	2
5929	120	LEU	HB3	-.14	2
10046	102	LEU	HB3	-.145	2
6776	15	LEU	HB3	-.153	2
6709	43	LEU	HB3	-.168	1
4334	32	LEU	HB3	-.18	1
5742	9	LEU	HB3	-.188	.
4880	34	LEU	HB3	-.19	2
4683	136	LEU	HB3	-.191	1
5072	46	LEU	HB3	-.197	2
6330	32	LEU	HB3	-.21	2
4637	20	LEU	HB3	-.21	4
15090	60	LEU	HB3	-.229	1
5981	22	LEU	HB3	-.238	2
6464	78	LEU	HB3	-.25	2
15560	76	LEU	HB3	-.26	2
15373	25	LEU	HB3	-.27	2
4445	29	LEU	HB3	-.287	1
4445	29	LEU	HB3	-.29	1
6336	32	LEU	HB3	-.29	2
7310	39	LEU	HB3	-.291	2
6873	337	LEU	HB3	-.293	2
4127	108	LEU	HB3	-.31	1
10084	95	LEU	HB3	-.311	2
4351	18	LEU	HB3	-.315	2
4971	16	LEU	HB3	-.32	2
6966	53	LEU	HB3	-.33	2
6597	40	LEU	HB3	-.345	2
10049	78	LEU	HB3	-.345	2
7125	141	LEU	HB3	-.36	2
6197	41	LEU	HB3	-.368	2
4648	159	LEU	HB3	-.4	.
5628	77	LEU	HB3	-.4	2
5364	39	LEU	HB3	-.42	2
5352	82	LEU	HB3	-.42	2
5211	98	LEU	HB3	-.426	.
6693	67	LEU	HB3	-.428	2
5981	75	LEU	HB3	-.429	2
6934	26	LEU	HB3	-.43	2
6189	30	LEU	HB3	-.435	1
5455	117	LEU	HB3	-.46	2
6464	24	LEU	HB3	-.47	2
6314	69	LEU	HB3	-.47	1
6766	45	LEU	HB3	-.475	1
4964	63	LEU	HB3	-.51	1
6688	71	LEU	HB3	-.57	1
7203	17	LEU	HB3	-.62	.
15386	45	LEU	HB3	-.659	2
6973	89	LEU	HB3	-.67	.
4121	18	LEU	HB3	-.7	1
4682	116	LEU	HB3	-.7	.
4340	119	LEU	HB3	-.71	1
15512	67	LEU	HB3	-.719	2
15270	76	LEU	HB3	-.729	2
6640	98	LEU	HB3	-.77	2
4681	116	LEU	HB3	-.77	.
5540	5	LEU	HB3	-.8	2
5784	24	LEU	HB3	-.823	2
5169	24	LEU	HB3	-.826	1
4681	116	LEU	HB3	-.83	.
15480	24	LEU	HB3	-.83	2
6015	84	LEU	HB3	-.839	2
5571	5	LEU	HB3	-.85	2
4572	29	LEU	HB3	-.86	2
5606	55	LEU	HB3	-.87	1
4969	81	LEU	HB3	-.87	2
6004	75	LEU	HB3	-.88	2
5181	57	LEU	HB3	-.89	2
6760	66	LEU	HB3	-.92	2
6621	59	LEU	HB3	-.93	2
6868	114	LEU	HB3	-.939	1
5054	109	LEU	HB3	-.97	2
4448	109	LEU	HB3	-.98	1
15325	49	LEU	HB3	-.98	.
5461	105	LEU	HB3	-1.006	2
5461	105	LEU	HB3	-1.006	2
6367	37	LEU	HB3	-1.02	1
6906	17	LEU	HB3	-1.02	9
5349	17	LEU	HB3	-1.03	2
5591	74	LEU	HB3	-1.078	2
6201	63	LEU	HB3	-1.129	2
6201	63	LEU	HB3	-1.133	2
4109	64	LEU	HB3	-1.161	2
15581	120	LEU	HB3	-1.17	2
15204	70	LEU	HB3	-1.2	1
10009	44	LEU	HB3	-1.202	2
1037	17	LEU	HB3	-1.21	1
7280	7	LEU	HB3	-1.21	2
6810	52	LEU	HB3	-1.22	2
4368	27	LEU	HB3	-1.23	2
5571	124	LEU	HB3	-1.28	2
15695	24	LEU	HB3	-1.49	2
15276	76	LEU	HB3	-1.51	2
15540	78	LEU	HB3	-1.522	2
5011	141	LEU	HB3	-1.79	2
6732	68	LEU	HB3	.006	.
6575	93	LEU	HB3	.022	2
4291	97	LEU	HB3	.028	1
6973	99	LEU	HB3	.03	.
4782	75	LEU	HB3	.04	2
11033	42	LEU	HB3	.045	2
5061	25	LEU	HB3	.05	2
7063	12	LEU	HB3	.057	2
923	73	LEU	HB3	.06	2
4436	101	LEU	HB3	.06	1
5505	59	LEU	HB3	.06	2
346	73	LEU	HB3	.06	1
4143	58	LEU	HB3	.071	2
10104	106	LEU	HB3	.074	2
6004	128	LEU	HB3	.08	2
15055	42	LEU	HB3	.08	2
11032	40	LEU	HB3	.083	2
6982	56	LEU	HB3	.088	2
3442	136	LEU	HB3	.09	2
4602	25	LEU	HB3	.09	2
6967	53	LEU	HB3	.09	2
5751	141	LEU	HB3	.099	1
4701	32	LEU	HB3	.1	2
1207	23	LEU	HB3	.1	1
6310	98	LEU	HB3	.101	.
4829	55	LEU	HB3	.109	2
1205	29	LEU	HB3	.11	1
6973	96	LEU	HB3	.11	.
6644	140	LEU	HB3	.11	2
4100	23	LEU	HB3	.11	2
1203	2	LEU	HB3	.12	1
15097	26	LEU	HB3	.13	2
7180	157	LEU	HB3	.13	2
6001	139	LEU	HB3	.13	2
6868	77	LEU	HB3	.131	1
6131	23	LEU	HB3	.138	1
4027	20	LEU	HB3	.14	2
5692	62	LEU	HB3	.14	2
6751	86	LEU	HB3	.142	2
15454	15	LEU	HB3	.15	1
5745	29	LEU	HB3	.16	2
6363	59	LEU	HB3	.16	2
5762	93	LEU	HB3	.164	2
4313	131	LEU	HB3	.17	1
6928	38	LEU	HB3	.172	2
5751	144	LEU	HB3	.178	1
2868	136	LEU	HB3	.18	2
4191	20	LEU	HB3	.18	2
4984	23	LEU	HB3	.186	1
5131	96	LEU	HB3	.189	2
15020	14	LEU	HB3	.189	2
40	29	LEU	HB3	.19	1
4472	66	LEU	HB3	.19	2
6092	96	LEU	HB3	.19	2
5309	65	LEU	HB3	.2	2
6966	86	LEU	HB3	.2	2
6060	96	LEU	HB3	.203	2
15111	42	LEU	HB3	.208	.
4262	131	LEU	HB3	.21	1
5044	72	LEU	HB3	.211	1
5601	33	LEU	HB3	.22	2
4516	89	LEU	HB3	.22	2
4109	64	LEU	HB3	.224	1
5396	131	LEU	HB3	.228	1
4217	17	LEU	HB3	.23	1
4673	108	LEU	HB3	.23	2
10105	69	LEU	HB3	.232	2
6091	96	LEU	HB3	.239	2
4455	62	LEU	HB3	.24	2
7310	122	LEU	HB3	.244	2
15377	39	LEU	HB3	.247	.
4943	17	LEU	HB3	.25	2
6885	34	LEU	HB3	.26	2
5068	18	LEU	HB3	.26	2
7310	98	LEU	HB3	.265	2
6475	117	LEU	HB3	.268	2
5803	18	LEU	HB3	.27	2
5246	15	LEU	HB3	.27	2
3441	17	LEU	HB3	.27	2
10029	92	LEU	HB3	.274	2
5246	15	LEU	HB3	.28	2
5304	53	LEU	HB3	.28	2
6644	159	LEU	HB3	.28	2
4848	31	LEU	HB3	.28	.
4943	17	LEU	HB3	.28	2
4109	64	LEU	HB3	.281	1
7063	109	LEU	HB3	.282	2
15063	22	LEU	HB3	.289	2
4248	66	LEU	HB3	.29	1
5804	18	LEU	HB3	.29	2
4112	42	LEU	HB3	.29	1
5991	118	LEU	HB3	.297	2
6391	49	LEU	HB3	.3	1
4030	108	LEU	HB3	.3	2
5033	3	LEU	HB3	.3	1
7059	116	LEU	HB3	.304	2
6824	18	LEU	HB3	.309	1
6454	106	LEU	HB3	.31	2
4976	3	LEU	HB3	.31	.
15553	20	LEU	HB3	.31	1
5280	69	LEU	HB3	.31	1
6204	15	LEU	HB3	.31	2
4173	163	LEU	HB3	.32	2
5100	100	LEU	HB3	.32	2
6626	109	LEU	HB3	.32	2
6988	88	LEU	HB3	.321	2
5943	71	LEU	HB3	.321	1
10004	17	LEU	HB3	.323	1
6190	45	LEU	HB3	.326	.
10032	108	LEU	HB3	.326	2
6960	18	LEU	HB3	.327	.
5148	94	LEU	HB3	.33	2
1093	17	LEU	HB3	.33	1
4854	31	LEU	HB3	.33	.
4081	130	LEU	HB3	.33	1
4206	60	LEU	HB3	.33	2
6685	166	LEU	HB3	.331	2
7079	53	LEU	HB3	.335	2
1203	29	LEU	HB3	.34	1
5100	100	LEU	HB3	.34	2
10073	96	LEU	HB3	.34	2
6284	31	LEU	HB3	.34	1
5568	43	LEU	HB3	.34	2
5696	76	LEU	HB3	.34	2
7125	28	LEU	HB3	.342	2
6507	18	LEU	HB3	.345	.
6415	18	LEU	HB3	.35	2
4636	75	LEU	HB3	.35	.
6508	18	LEU	HB3	.351	.
5181	30	LEU	HB3	.351	2
6794	21	LEU	HB3	.354	2
10066	19	LEU	HB3	.357	2
15020	138	LEU	HB3	.357	2
6231	68	LEU	HB3	.36	2
10060	19	LEU	HB3	.361	2
6866	91	LEU	HB3	.362	2
7206	125	LEU	HB3	.369	1
15211	98	LEU	HB3	.37	2
2224	84	LEU	HB3	.37	1
10114	14	LEU	HB3	.374	2
11001	45	LEU	HB3	0	2