CYS HB3 Chemical Shift Outliers

___________________________________________________
CYS HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
5223
2.901
-.83
4.686
0.494


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
2196
22
CYS
HB3
4.41
2
5767
3
CYS
HB3
4.418
2
4859
9
CYS
HB3
4.45
1
5633
45
CYS
HB3
4.456
.
5653
45
CYS
HB3
4.456
.
15280
39
CYS
HB3
4.475
1
4509
3
CYS
HB3
4.602
.
4063
135
CYS
HB3
4.65
1
7210
13
CYS
HB3
4.686
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4681
96
CYS
HB3
-.02
.
5579
95
CYS
HB3
-.02
.
5578
95
CYS
HB3
-.03
.
4186
95
CYS
HB3
-.28
2
7063
72
CYS
HB3
-.312
2
6283
55
CYS
HB3
-.7
1
6071
52
CYS
HB3
-.79
1
6032
52
CYS
HB3
-.83
.
4682
96
CYS
HB3
.01
.
7103
114
CYS
HB3
.05
2
4682
96
CYS
HB3
.06
.
3485
11
CYS
HB3
.14
2
5319
96
CYS
HB3
.31
1
4321
156
CYS
HB3
.32
2
15204
85
CYS
HB3
.447
1
5048
96
CYS
HB3
.48
1
15036
43
CYS
HB3
.488
2
15088
85
CYS
HB3
.496
2
6073
152
CYS
HB3
.52
.
5044
87
CYS
HB3
.524
1
5565
37
CYS
HB3
.56
2
7304
37
CYS
HB3
.566
2
7243
40
CYS
HB3
.588
2
4830
29
CYS
HB3
.6
2
6166
53
CYS
HB3
.6281
.
6171
53
CYS
HB3
.6461
.
6338
58
CYS
HB3
.712
2
6179
39
CYS
HB3
.78
2
6931
116
CYS
HB3
.79
1
4925
38
CYS
HB3
.82
1
6882
45
CYS
HB3
.832
2
5541
116
CYS
HB3
.85
1
6180
39
CYS
HB3
.873
2
4933
33
CYS
HB3
.88
1
4930
33
CYS
HB3
.88
1
6053
38
CYS
HB3
.9
1
7231
171
CYS
HB3
.906
2
6392
92
CYS
HB3
.94
1
5198
15
CYS
HB3
.94
2
7310
115
CYS
HB3
.945
2
5276
16
CYS
HB3
.97
2
5884
15
CYS
HB3
.985
1
4938
123
CYS
HB3
0
2
6393
92
CYS
HB3
1
1
5516
102
CYS
HB3
1
1
6298
99
CYS
HB3
1.01
.
6401
42
CYS
HB3
1.017
2
5688
82
CYS
HB3
1.02
1
5688
82
CYS
HB3
1.02
1
15276
91
CYS
HB3
1.02
2
5688
82
CYS
HB3
1.02
1
15320
32
CYS
HB3
1.02
2
5688
82
CYS
HB3
1.02
1
4370
111
CYS
HB3
1.02
1
5771
37
CYS
HB3
1.03
2
5272
17
CYS
HB3
1.06
1
7103
126
CYS
HB3
1.08
2
4879
126
CYS
HB3
1.09
1
6880
17
CYS
HB3
1.09
2
443
110
CYS
HB3
1.1
2
15320
65
CYS
HB3
1.15
2
243
14
CYS
HB3
1.15
1
5203
48
CYS
HB3
1.153
2
5583
4
CYS
HB3
1.16
1
5804
81
CYS
HB3
1.17
2
6132
76
CYS
HB3
1.17
2
5742
45
CYS
HB3
1.209
.
15097
100
CYS
HB3
1.23
2
6415
81
CYS
HB3
1.26
2
6111
68
CYS
HB3
1.27
1
5068
81
CYS
HB3
1.27
2
1677
14
CYS
HB3
1.28
1
4979
24
CYS
HB3
1.3
1
4943
80
CYS
HB3
1.31
2
4943
80
CYS
HB3
1.31
2
7194
84
CYS
HB3
1.317
2
480
40
CYS
HB3
1.33
1
481
40
CYS
HB3
1.33
1
6551
20
CYS
HB3
1.346
.
6525
42
CYS
HB3
1.356
1
5473
24
CYS
HB3
1.366
2
15038
106
CYS
HB3
1.372
2
15377
26
CYS
HB3
1.408
.