VAL CB Chemical Shift Outliers

___________________________________________________
VAL CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29872
32.711
20.554
45.331
1.780


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10115
34
VAL
CB
38.073
1
11442
76
VAL
CB
38.083
1
17811
50
VAL
CB
38.091
1
15248
189
VAL
CB
38.111
1
4300
113
VAL
CB
38.16
1
4299
113
VAL
CB
38.16
1
6433
75
VAL
CB
38.18
1
15743
83
VAL
CB
38.2
1
15578
4
VAL
CB
38.285
1
17039
6
VAL
CB
38.3
1
6404
45
VAL
CB
38.3
1
6299
11
VAL
CB
38.341
1
15680
121
VAL
CB
38.35
1
4425
79
VAL
CB
38.394
1
15177
16
VAL
CB
38.407
1
5861
45
VAL
CB
38.46
1
5861
11
VAL
CB
38.49
1
6713
104
VAL
CB
38.6
1
4144
66
VAL
CB
38.6
1
6074
120
VAL
CB
38.661
1
16615
32
VAL
CB
38.704
1
18887
65
VAL
CB
38.8
.
6021
139
VAL
CB
38.8
1
18621
36
VAL
CB
38.866
1
15505
14
VAL
CB
38.87082
1
4339
86
VAL
CB
38.9
9
6311
103
VAL
CB
38.9
1
17110
5
VAL
CB
38.92
1
16501
22
VAL
CB
39.102
1
6603
96
VAL
CB
39.124
1
15162
125
VAL
CB
39.34
1
18137
60
VAL
CB
39.446
1
16188
138
VAL
CB
39.481
1
5175
18
VAL
CB
39.62
1
4486
108
VAL
CB
39.77
1
5516
52
VAL
CB
39.8
1
17853
80
VAL
CB
39.848
1
7325
51
VAL
CB
40.023
.
17471
242
VAL
CB
40.284
1
4874
62
VAL
CB
40.305
1
4136
34
VAL
CB
40.4
1
16837
157
VAL
CB
40.47
1
6468
185
VAL
CB
40.711
1
6582
80
VAL
CB
41.17
1
17203
42
VAL
CB
41.43
1
6356
69
VAL
CB
41.512
.
5552
124
VAL
CB
41.71
1
16946
113
VAL
CB
41.755
1
7355
105
VAL
CB
41.966
1
5128
51
VAL
CB
42.3
1
6322
41
VAL
CB
42.837
1
17474
135
VAL
CB
43.703
1
15952
21
VAL
CB
45.331
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6586
40
VAL
CB
20.554
1
4775
73
VAL
CB
22.04
1
6586
49
VAL
CB
22.084
9
6586
67
VAL
CB
23.387
1
6586
121
VAL
CB
23.458
1
6586
57
VAL
CB
23.713
1
6586
10
VAL
CB
23.883
1
6586
37
VAL
CB
24.591
1
18396
61
VAL
CB
25.069
1
5312
47
VAL
CB
25.3
1
4782
97
VAL
CB
25.31
1
16884
64
VAL
CB
25.7
1
5547
48
VAL
CB
25.7
1
6350
3
VAL
CB
25.76
1
6904
69
VAL
CB
25.86
1
6903
69
VAL
CB
25.874
1
15070
120
VAL
CB
26.16
1
17781
42
VAL
CB
26.192
1
6580
13
VAL
CB
26.2
1
5764
104
VAL
CB
26.272
1
15071
120
VAL
CB
26.29
1
5312
27
VAL
CB
26.3
1
16984
245
VAL
CB
26.316
1
17782
40
VAL
CB
26.549
1
6583
76
VAL
CB
26.56
1
19272
283
VAL
CB
26.589
1
16884
38
VAL
CB
26.7
1
11133
98
VAL
CB
26.729
1
5547
39
VAL
CB
26.8
1
16984
208
VAL
CB
26.81
1
18217
30
VAL
CB
26.97
1
16100
60
VAL
CB
26.992
1
16887
67
VAL
CB
27.002
1
17827
34
VAL
CB
27.06
1
5312
19
VAL
CB
27.1
1
16940
289
VAL
CB
27.11
1
5752
25
VAL
CB
27.111
1
7360
86
VAL
CB
27.178
1
6986
36
VAL
CB
27.2
1
11141
115
VAL
CB
27.252
1
4351
1
VAL
CB
27.267
1
15955
102
VAL
CB
27.3
1
17781
96
VAL
CB
27.317
1
4997
3
VAL
CB
27.34
1
16940
208
VAL
CB
27.35
1
5856
93
VAL
CB
27.35
1