CYS HB3 Chemical Shift Outliers

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CYS HB3 Chemical Shift Statistics
Chemical shifts observed	Average chemical shift	Minimum chemical shift	Maximum chemical shift	Standard deviation
6991	3.075	-44.2	125	3.656

Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession number	Residue number	Residue type	Atom name	Chemical shift	Ambiguity code
4440	55	CYS	HB3	103	1
2221	63	CYS	HB3	112.15	1
2222	63	CYS	HB3	117.33	1
4442	49	CYS	HB3	125	1
1133	45	CYS	HB3	15.3	1
4229	42	CYS	HB3	15.3	2
4231	42	CYS	HB3	15.302	.
1134	45	CYS	HB3	15.5	1
4268	42	CYS	HB3	15.8	1
4229	13	CYS	HB3	16.1	2
4231	13	CYS	HB3	16.102	.
4442	41	CYS	HB3	16.7	1
1439	46	CYS	HB3	16.89	1
822	41	CYS	HB3	17.9	2
821	41	CYS	HB3	18.6	2
1134	16	CYS	HB3	21.1	1
1133	16	CYS	HB3	21.8	1
2222	46	CYS	HB3	23.08	1
2221	46	CYS	HB3	23.41	1
4442	46	CYS	HB3	24.4	1
1439	41	CYS	HB3	24.72	1
2220	46	CYS	HB3	24.9	1
2219	46	CYS	HB3	25.11	2
822	46	CYS	HB3	25.8	2
821	46	CYS	HB3	26.65	2
2220	77	CYS	HB3	29.19	1
2219	77	CYS	HB3	29.43	2
4439	92	CYS	HB3	30	1
4439	52	CYS	HB3	30	1
4439	55	CYS	HB3	30	1
4439	46	CYS	HB3	30	1
2221	77	CYS	HB3	30.96	1
2222	77	CYS	HB3	31.36	1
4268	49	CYS	HB3	32.2	1
2219	43	CYS	HB3	33.22	2
2219	63	CYS	HB3	36.1	2
4441	79	CYS	HB3	38	1
4441	49	CYS	HB3	38	1
4441	46	CYS	HB3	38	1
4441	41	CYS	HB3	38	1
4440	92	CYS	HB3	80	1
4442	79	CYS	HB3	98	1

High-field Shifts > Three Sigma from the Average Chemical Shift
Accession number	Residue number	Residue type	Atom name	Chemical shift	Ambiguity code
4440	46	CYS	HB3	-10	1
4440	52	CYS	HB3	-15	1
2220	43	CYS	HB3	-30.44	1
2221	43	CYS	HB3	-40.29	1
2222	43	CYS	HB3	-44.2	1