CYS HB2 Chemical Shift Outliers

___________________________________________________
CYS HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13280
2.949
-.54
4.715
0.437


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19473
22
CYS
HB2
4.274
2
16329
23
CYS
HB2
4.283
2
16712
34
CYS
HB2
4.295
2
6563
10
CYS
HB2
4.307
2
19476
9
CYS
HB2
4.322
2
4446
32
CYS
HB2
4.36
.
11353
9
CYS
HB2
4.36
2
4036
88
CYS
HB2
4.38
2
6504
3
CYS
HB2
4.39
.
6075
10
CYS
HB2
4.42
1
34076
101
CYS
HB2
4.424
2
4923
17
CYS
HB2
4.52
1
20114
8
CYS
HB2
4.523
2
19417
35
CYS
HB2
4.628
2
4063
135
CYS
HB2
4.65
1
6455
3
CYS
HB2
4.651
2
11352
19
CYS
HB2
4.679
2
11354
19
CYS
HB2
4.715
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5319
96
CYS
HB2
-.01
1
18963
23
CYS
HB2
-.01
2
5048
96
CYS
HB2
-.03
1
18963
23
CYS
HB2
-.03
2
5541
116
CYS
HB2
-.47
1
19074
23
CYS
HB2
-.47
2
17823
16
CYS
HB2
-.488
2
19729
16
CYS
HB2
-.488
2
6931
116
CYS
HB2
-.54
1
5255
58
CYS
HB2
.206
.
5578
95
CYS
HB2
.24
.
4186
95
CYS
HB2
.36
2
25995
60
CYS
HB2
.415
2
4117
27
CYS
HB2
.42
2
16704
5
CYS
HB2
.474
1
6299
31
CYS
HB2
.481
2
16703
5
CYS
HB2
.488
1
15037
40
CYS
HB2
.499
2
11229
82
CYS
HB2
.522
2
7339
151
CYS
HB2
.548
2
15720
151
CYS
HB2
.548
2
6093
99
CYS
HB2
.61
1
16841
29
CYS
HB2
.62
1
2384
35
CYS
HB2
.62
2
19687
162
CYS
HB2
.637
2
19085
5
CYS
HB2
.66
1
17830
111
CYS
HB2
.664
2
19325
115
CYS
HB2
.759
2
6467
38
CYS
HB2
.799
.
11230
80
CYS
HB2
.808
2
36103
17
CYS
HB2
.82
2
27666
116
CYS
HB2
.837
2
18511
68
CYS
HB2
.842
2
5545
30
CYS
HB2
.88
2
25638
14
CYS
HB2
.911
2
6242
16
CYS
HB2
.95
2
7137
9
CYS
HB2
.97
2
30491
10
CYS
HB2
.972
2
5273
17
CYS
HB2
.98
1
34113
45
CYS
HB2
.991
1
34201
102
CYS
HB2
.998
2
5516
102
CYS
HB2
1
1
11272
44
CYS
HB2
1.005
2
25468
49
CYS
HB2
1.029
2
15303
214
CYS
HB2
1.03
2
11153
19
CYS
HB2
1.045
2
10025
49
CYS
HB2
1.045
2
6370
38
CYS
HB2
1.063
.
30064
12
CYS
HB2
1.066
2
2384
84
CYS
HB2
1.07
2
19684
23
CYS
HB2
1.075
2
11178
19
CYS
HB2
1.094
2
6787
103
CYS
HB2
1.1
2
17176
34
CYS
HB2
1.11
2
19108
34
CYS
HB2
1.136
.
243
14
CYS
HB2
1.15
1
16061
108
CYS
HB2
1.167
2
17719
34
CYS
HB2
1.17
2
7364
79
CYS
HB2
1.175
2
19459
51
CYS
HB2
1.1755
.
17113
60
CYS
HB2
1.17781
2
6242
69
CYS
HB2
1.18
2
17865
32
CYS
HB2
1.181
2
6467
4
CYS
HB2
1.184
.
4791
106
CYS
HB2
1.19
2
27519
97
CYS
HB2
1.2
1
19624
125
CYS
HB2
1.201
2
11151
67
CYS
HB2
1.205
2
18540
42
CYS
HB2
1.219
1
5402
68
CYS
HB2
1.22
2
11537
35
CYS
HB2
1.238
2
30351
33
CYS
HB2
1.25
.
6370
4
CYS
HB2
1.251
.
18604
112
CYS
HB2
1.254
2
17864
59
CYS
HB2
1.258
2
5469
22
CYS
HB2
1.26
2
17865
88
CYS
HB2
1.264
2
19085
13
CYS
HB2
1.266
1
15028
29
CYS
HB2
1.273
2
30354
33
CYS
HB2
1.277
.
1677
14
CYS
HB2
1.28
1
30351
4
CYS
HB2
1.287
.
19687
57
CYS
HB2
1.289
2
5470
22
CYS
HB2
1.29
2
4979
24
CYS
HB2
1.3
1
6004
80
CYS
HB2
1.3
2
16539
28
CYS
HB2
1.3
1
27406
27
CYS
HB2
1.304
1
16739
39
CYS
HB2
1.32
2
19149
31
CYS
HB2
1.32
.
19553
20
CYS
HB2
1.323
2
6712
49
CYS
HB2
1.328
2
4562
80
CYS
HB2
1.33
2
15555
41
CYS
HB2
1.335
1
5469
36
CYS
HB2
1.34
1
7312
32
CYS
HB2
1.34
1
16540
28
CYS
HB2
1.35
1
42
24
CYS
HB2
1.35
2
6387
16
CYS
HB2
1.35
1
4162
79
CYS
HB2
1.36
2
1374
6
CYS
HB2
1.37
2
6149
118
CYS
HB2
1.37
2
6386
16
CYS
HB2
1.37
1
19287
55
CYS
HB2
1.38
2
42
38
CYS
HB2
1.38
2
15204
85
CYS
HB2
1.382
1
25789
18
CYS
HB2
1.394
2
6073
152
CYS
HB2
1.4
.
18559
44
CYS
HB2
1.402
2
2384
68
CYS
HB2
1.41
2
16439
50
CYS
HB2
1.419
2
4879
126
CYS
HB2
1.42
1
5097
43
CYS
HB2
1.44
2
66
55
CYS
HB2
1.44
2
30475
41
CYS
HB2
1.441
2
25834
62
CYS
HB2
1.446
2
15088
85
CYS
HB2
1.449
2
18530
50
CYS
HB2
1.45
2
16031
101
CYS
HB2
1.458
2
19729
33
CYS
HB2
1.461
2
17823
33
CYS
HB2
1.461
2
6519
80
CYS
HB2
1.463
2
1479
47
CYS
HB2
1.47
2
19947
28
CYS
HB2
1.47
1
25149
40
CYS
HB2
1.478
2
1480
47
CYS
HB2
1.48
2
17704
67
CYS
HB2
1.483
2
15431
50
CYS
HB2
1.49
2
5274
19
CYS
HB2
1.49
2
6032
52
CYS
HB2
1.5
.
17838
8
CYS
HB2
1.51
2
16032
101
CYS
HB2
1.511
2
18701
67
CYS
HB2
1.515
2
18541
42
CYS
HB2
1.515
1
16841
116
CYS
HB2
1.52
1
7231
171
CYS
HB2
1.526
2
5177
80
CYS
HB2
1.53
2
19641
87
CYS
HB2
1.53
2
7107
67
CYS
HB2
1.53
2
5000
24
CYS
HB2
1.53
1
15358
53
CYS
HB2
1.538
2
15330
53
CYS
HB2
1.538
2
17242
37
CYS
HB2
1.55
2
4830
29
CYS
HB2
1.55
2
6132
76
CYS
HB2
1.55
2
16097
9
CYS
HB2
1.554
2
30475
43
CYS
HB2
1.559
2
18049
70
CYS
HB2
1.562
2
17092
42
CYS
HB2
1.563
2
15973
11
CYS
HB2
1.565
.
16147
41
CYS
HB2
1.57
1
3322
12
CYS
HB2
1.57
2
16103
64
CYS
HB2
1.573
2
36143
21
CYS
HB2
1.57874
.
18049
39
CYS
HB2
1.58
2
5565
37
CYS
HB2
1.59
2
25609
45
CYS
HB2
1.59
.
19459
110
CYS
HB2
1.5931
.
25205
4
CYS
HB2
1.594
2
15627
108
CYS
HB2
1.596
2
19521
154
CYS
HB2
1.598
1
11295
79
CYS
HB2
1.598
2
16439
70
CYS
HB2
1.604
2
10013
18
CYS
HB2
1.607
1
7285
12
CYS
HB2
1.61
2
1374
20
CYS
HB2
1.61
2
17866
85
CYS
HB2
1.61
2
7304
37
CYS
HB2
1.612
2
15036
43
CYS
HB2
1.612
2
6149
48
CYS
HB2
1.62
2
7243
40
CYS
HB2
1.623
2
6712
107
CYS
HB2
1.624
2
4928
3
CYS
HB2
1.629
.
6283
55
CYS
HB2
1.63
1
5262
14
CYS
HB2
1.63
2
27581
58
CYS
HB2
1.63441
2