VAL CB Chemical Shift Outliers

___________________________________________________
VAL CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
46035
32.693
18.97
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
18103
179
VAL
CB
38.0414
1
19443
127
VAL
CB
38.045
.
34235
34
VAL
CB
38.072
1
10115
34
VAL
CB
38.073
1
36179
142
VAL
CB
38.078
.
11442
76
VAL
CB
38.083
1
17811
50
VAL
CB
38.091
1
15248
189
VAL
CB
38.111
1
25624
47
VAL
CB
38.12
1
19743
113
VAL
CB
38.137
1
19156
74
VAL
CB
38.138
1
4299
113
VAL
CB
38.16
1
4300
113
VAL
CB
38.16
1
6433
75
VAL
CB
38.18
1
15743
83
VAL
CB
38.2
1
27411
31
VAL
CB
38.2
1
19156
125
VAL
CB
38.247
1
6404
45
VAL
CB
38.3
1
17039
6
VAL
CB
38.3
1
19156
100
VAL
CB
38.325
1
6299
11
VAL
CB
38.341
1
15680
121
VAL
CB
38.35
1
4425
79
VAL
CB
38.394
1
19156
37
VAL
CB
38.4
1
15177
16
VAL
CB
38.407
1
25887
63
VAL
CB
38.408
1
19744
113
VAL
CB
38.436
1
19742
113
VAL
CB
38.436
1
30100
71
VAL
CB
38.444
.
19156
76
VAL
CB
38.452
1
5861
45
VAL
CB
38.46
1
5861
11
VAL
CB
38.49
1
19615
113
VAL
CB
38.546
1
4144
66
VAL
CB
38.6
1
6713
104
VAL
CB
38.6
1
27833
156
VAL
CB
38.641
1
27078
292
VAL
CB
38.65
1
19156
119
VAL
CB
38.658
1
6074
120
VAL
CB
38.661
1
16615
32
VAL
CB
38.704
1
19156
146
VAL
CB
38.709
1
30271
21
VAL
CB
38.714
1
18887
65
VAL
CB
38.8
.
6021
139
VAL
CB
38.8
1
30083
131
VAL
CB
38.811
1
30086
131
VAL
CB
38.811
1
30084
131
VAL
CB
38.811
1
30081
131
VAL
CB
38.811
1
30085
131
VAL
CB
38.811
1
30082
131
VAL
CB
38.811
1
30080
131
VAL
CB
38.811
1
19156
124
VAL
CB
38.857
1
25239
36
VAL
CB
38.866
1
18621
36
VAL
CB
38.866
1
15505
14
VAL
CB
38.87082
1
36070
33
VAL
CB
38.874
1
4339
86
VAL
CB
38.9
9
6311
103
VAL
CB
38.9
1
27588
84
VAL
CB
38.908
1
17110
5
VAL
CB
38.92
1
30100
61
VAL
CB
38.954
.
25338
38
VAL
CB
38.976
1
16501
22
VAL
CB
39.102
1
6603
96
VAL
CB
39.124
1
27078
191
VAL
CB
39.15
1
25832
146
VAL
CB
39.281
1
19156
68
VAL
CB
39.294
1
27589
84
VAL
CB
39.324
1
15162
125
VAL
CB
39.34
1
18137
60
VAL
CB
39.446
1
19443
62
VAL
CB
39.45
.
19443
130
VAL
CB
39.45
.
16188
138
VAL
CB
39.481
1
27438
70
VAL
CB
39.577
.
5175
18
VAL
CB
39.62
1
5663
31
VAL
CB
39.64
.
19915
51
VAL
CB
39.642
.
27589
112
VAL
CB
39.7
1
27078
192
VAL
CB
39.75
1
4486
108
VAL
CB
39.77
1
5516
52
VAL
CB
39.8
1
17853
80
VAL
CB
39.848
1
19743
212
VAL
CB
39.855
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
25715
276
VAL
CB
40.427
1
16837
157
VAL
CB
40.47
1
27285
35
VAL
CB
40.611
1
6468
185
VAL
CB
40.711
1
6582
80
VAL
CB
41.17
1
17203
42
VAL
CB
41.43
1
19028
90
VAL
CB
41.434
1
6356
69
VAL
CB
41.512
.
25572
115
VAL
CB
41.572
1
5552
124
VAL
CB
41.71
1
16946
113
VAL
CB
41.755
1
27078
290
VAL
CB
41.95
1
7355
105
VAL
CB
41.966
1
27062
114
VAL
CB
42.019
1
27588
112
VAL
CB
42.278
1
5128
51
VAL
CB
42.3
1
26726
10
VAL
CB
42.401
1
6322
41
VAL
CB
42.837
1
27051
86
VAL
CB
43.054
1
25453
123
VAL
CB
43.292
1
17474
135
VAL
CB
43.703
1
4984
62
VAL
CB
44
1
15952
21
VAL
CB
45.331
.
15785
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
27026
107
VAL
CB
18.97
1
19063
49
VAL
CB
20.292
.
6586
40
VAL
CB
20.554
1
19063
76
VAL
CB
21.881
.
19443
50
VAL
CB
22.08
.
6586
49
VAL
CB
22.084
9
19063
21
VAL
CB
22.503
.
19063
48
VAL
CB
22.78
.
6586
67
VAL
CB
23.387
1
6586
121
VAL
CB
23.458
1
6586
57
VAL
CB
23.713
1
19063
19
VAL
CB
23.817
.
6586
10
VAL
CB
23.883
1
19063
63
VAL
CB
24.439
.
6586
37
VAL
CB
24.591
1
27122
227
VAL
CB
24.648
.
18396
61
VAL
CB
25.069
1
5312
47
VAL
CB
25.3
1
4782
97
VAL
CB
25.31
1
5547
48
VAL
CB
25.7
1
16884
64
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
26851
183
VAL
CB
26.293
1
26848
183
VAL
CB
26.296
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
36129
76
VAL
CB
26.623
.
16884
38
VAL
CB
26.7
1
25792
59
VAL
CB
26.709
.
30375
98
VAL
CB
26.729
.
11133
98
VAL
CB
26.729
1
26851
195
VAL
CB
26.738
1
26848
195
VAL
CB
26.77
1
5547
39
VAL
CB
26.8
1
26792
9
VAL
CB
26.8
1
16984
208
VAL
CB
26.81
1
26889
33
VAL
CB
26.83
1
26647
147
VAL
CB
26.86
1
18217
30
VAL
CB
26.97
1
25792
55
VAL
CB
26.976
.
16100
60
VAL
CB
26.992
1
16887
67
VAL
CB
27.002
1
19560
251
VAL
CB
27.03
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
27622
14
VAL
CB
27.19
.
27859
68
VAL
CB
27.2
.
6986
36
VAL
CB
27.2
1
26851
62
VAL
CB
27.208
1
27122
210
VAL
CB
27.234
.
26681
121
VAL
CB
27.235
1
30195
121
VAL
CB
27.235
1
19560
209
VAL
CB
27.24
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
26889
39
VAL
CB
27.33
1
26848
62
VAL
CB
27.331
1
4997
3
VAL
CB
27.34
1
26848
128
VAL
CB
27.344
1
19589
158
VAL
CB
27.348
1
16940
208
VAL
CB
27.35
1
5856
93
VAL
CB
27.35
1