CYS HB3 Chemical Shift Outliers

___________________________________________________
CYS HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
12944
2.888
-.83
4.77
0.446


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6753
134
CYS
HB3
4.23
.
18218
71
CYS
HB3
4.233
2
30412
8
CYS
HB3
4.235
1
16413
32
CYS
HB3
4.248
2
25925
14
CYS
HB3
4.256
2
5323
8
CYS
HB3
4.264
2
7109
32
CYS
HB3
4.274
2
18354
11
CYS
HB3
4.278
.
19697
5
CYS
HB3
4.297
2
5115
5
CYS
HB3
4.33
2
4587
3
CYS
HB3
4.37
2
25226
22
CYS
HB3
4.39
1
25225
22
CYS
HB3
4.39
1
2196
22
CYS
HB3
4.41
2
5767
3
CYS
HB3
4.418
2
4859
9
CYS
HB3
4.45
1
34072
101
CYS
HB3
4.471
2
15280
39
CYS
HB3
4.475
1
25221
4
CYS
HB3
4.513
2
4509
3
CYS
HB3
4.602
.
4063
135
CYS
HB3
4.65
1
18874
13
CYS
HB3
4.681
2
7210
13
CYS
HB3
4.686
2
18963
10
CYS
HB3
4.76
2
18963
10
CYS
HB3
4.77
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5578
95
CYS
HB3
-.03
.
18559
44
CYS
HB3
-.094
2
4186
95
CYS
HB3
-.28
2
7063
72
CYS
HB3
-.312
2
17838
8
CYS
HB3
-.36
2
6283
55
CYS
HB3
-.7
1
6032
52
CYS
HB3
-.83
.
3485
11
CYS
HB3
.14
2
10025
49
CYS
HB3
.213
2
17277
40
CYS
HB3
.296
2
5319
96
CYS
HB3
.31
1
15057
6
CYS
HB3
.338
1
25610
29
CYS
HB3
.35
.
25979
41
CYS
HB3
.412
2
15204
85
CYS
HB3
.447
1
34201
102
CYS
HB3
.476
2
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
18711
85
CYS
HB3
.552
2
5565
37
CYS
HB3
.56
2
7304
37
CYS
HB3
.566
2
25690
69
CYS
HB3
.587
2
7243
40
CYS
HB3
.588
2
4830
29
CYS
HB3
.6
2
11129
46
CYS
HB3
.62
2
17833
101
CYS
HB3
.622
2
16705
5
CYS
HB3
.628
1
10264
79
CYS
HB3
.662
2
11333
26
CYS
HB3
.689
2
6338
58
CYS
HB3
.712
2
18563
78
CYS
HB3
.716
2
25240
64
CYS
HB3
.737
2
6179
39
CYS
HB3
.78
2
6931
116
CYS
HB3
.79
1
10316
38
CYS
HB3
.807
2
4925
38
CYS
HB3
.82
1
6882
45
CYS
HB3
.832
2
5541
116
CYS
HB3
.85
1
6180
39
CYS
HB3
.873
2
4930
33
CYS
HB3
.88
1
4933
33
CYS
HB3
.88
1
18541
42
CYS
HB3
.889
1
18540
42
CYS
HB3
.895
1
7231
171
CYS
HB3
.906
2
5198
15
CYS
HB3
.94
2
7310
115
CYS
HB3
.945
2
25663
92
CYS
HB3
.945
.
10129
94
CYS
HB3
.975
2
5884
15
CYS
HB3
.985
1
11081
10
CYS
HB3
.999
2
4938
123
CYS
HB3
0
2
5516
102
CYS
HB3
1
1
15939
42
CYS
HB3
1.01
2
16109
42
CYS
HB3
1.013
2
11309
37
CYS
HB3
1.016
2
6401
42
CYS
HB3
1.017
2
5688
82
CYS
HB3
1.02
1
5688
82
CYS
HB3
1.02
1
4370
111
CYS
HB3
1.02
1
5688
82
CYS
HB3
1.02
1
15320
32
CYS
HB3
1.02
2
5688
82
CYS
HB3
1.02
1
17582
115
CYS
HB3
1.03
2
36103
17
CYS
HB3
1.03
2
11401
57
CYS
HB3
1.031
2
17576
115
CYS
HB3
1.037
2
11468
76
CYS
HB3
1.044
2
16606
90
CYS
HB3
1.049
2
5272
17
CYS
HB3
1.06
1
27491
20
CYS
HB3
1.071
1
4879
126
CYS
HB3
1.09
1
6880
17
CYS
HB3
1.09
2
10080
50
CYS
HB3
1.093
2
15606
58
CYS
HB3
1.093
2
443
110
CYS
HB3
1.1
2
16103
64
CYS
HB3
1.134
2
25205
38
CYS
HB3
1.143
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
16703
13
CYS
HB3
1.164
1
16607
90
CYS
HB3
1.169
2
5804
81
CYS
HB3
1.17
2
6132
76
CYS
HB3
1.17
2
16097
9
CYS
HB3
1.177
2
17275
50
CYS
HB3
1.181
2
18908
91
CYS
HB3
1.188
2
18046
100
CYS
HB3
1.2
2
10264
53
CYS
HB3
1.225
2
15097
100
CYS
HB3
1.23
2
19553
20
CYS
HB3
1.232
2
15660
44
CYS
HB3
1.24
2
18599
53
CYS
HB3
1.249
2
25232
27
CYS
HB3
1.255
.
17620
88
CYS
HB3
1.256
2
11036
81
CYS
HB3
1.257
2
6415
81
CYS
HB3
1.26
2
34131
94
CYS
HB3
1.264
2
5068
81
CYS
HB3
1.27
2
7160
80
CYS
HB3
1.27
.
6111
68
CYS
HB3
1.27
1
25026
114
CYS
HB3
1.272
2
1677
14
CYS
HB3
1.28
1
17112
67
CYS
HB3
1.2834
2
16260
105
CYS
HB3
1.288
2
7108
29
CYS
HB3
1.294
2
11272
44
CYS
HB3
1.297
2
4979
24
CYS
HB3
1.3
1
16705
13
CYS
HB3
1.303
1
25149
40
CYS
HB3
1.309
2
19023
57
CYS
HB3
1.309
2
4943
80
CYS
HB3
1.31
2
18551
79
CYS
HB3
1.31
2
4943
80
CYS
HB3
1.31
2
7194
84
CYS
HB3
1.317
2
16704
13
CYS
HB3
1.324
1
480
40
CYS
HB3
1.33
1
481
40
CYS
HB3
1.33
1
17733
28
CYS
HB3
1.332
.
16666
53
CYS
HB3
1.334
2
15555
41
CYS
HB3
1.335
1
18539
38
CYS
HB3
1.343
1
6551
20
CYS
HB3
1.346
.
6525
42
CYS
HB3
1.356
1
11061
33
CYS
HB3
1.36
2
19624
125
CYS
HB3
1.362
2
16463
94
CYS
HB3
1.363
2
15038
106
CYS
HB3
1.372
2
11131
69
CYS
HB3
1.378
2
18345
43
CYS
HB3
1.387
2
25605
50
CYS
HB3
1.396
2
11295
79
CYS
HB3
1.4
2
15377
26
CYS
HB3
1.408
.
27159
129
CYS
HB3
1.412
1
18599
113
CYS
HB3
1.42
2
5072
62
CYS
HB3
1.422
2
6299
31
CYS
HB3
1.423
2
10114
92
CYS
HB3
1.424
2
18990
134
CYS
HB3
1.429
2
4976
42
CYS
HB3
1.43
.
7119
75
CYS
HB3
1.437
2
15431
50
CYS
HB3
1.44
2
5033
42
CYS
HB3
1.44
1
6885
82
CYS
HB3
1.44
2
18345
41
CYS
HB3
1.446
2
16099
40
CYS
HB3
1.448
2
5506
51
CYS
HB3
1.45
1
11122
125
CYS
HB3
1.451
2
16031
101
CYS
HB3
1.458
2
18642
61
CYS
HB3
1.461
2
30351
4
CYS
HB3
1.465
.
19947
28
CYS
HB3
1.47
1
30290
35
CYS
HB3
1.47
.
19687
57
CYS
HB3
1.478
2
6159
17
CYS
HB3
1.478
2
4933
17
CYS
HB3
1.48
1
11230
80
CYS
HB3
1.48
2
4930
17
CYS
HB3
1.48
1
19621
18
CYS
HB3
1.488
.
5774
62
CYS
HB3
1.49
2
18471
45
CYS
HB3
1.492
2
17278
58
CYS
HB3
1.493
2
17927
42
CYS
HB3
1.503
2
25452
27
CYS
HB3
1.505
2
17300
36
CYS
HB3
1.508
2
16374
23
CYS
HB3
1.51
2
16375
23
CYS
HB3
1.51
2
6228
30
CYS
HB3
1.511
2
16032
101
CYS
HB3
1.511
2
18701
67
CYS
HB3
1.515
2
11252
24
CYS
HB3
1.516
2
19074
23
CYS
HB3
1.52
2
16018
108
CYS
HB3
1.532
1
16094
57
CYS
HB3
1.533
2
19646
68
CYS
HB3
1.536
2
27234
93
CYS
HB3
1.538
2
4510
15
CYS
HB3
1.54
1
4830
116
CYS
HB3
1.54
2
15412
73
CYS
HB3
1.543
1