VAL CB Chemical Shift Outliers

___________________________________________________
VAL CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
40563
32.746
17.208
83.58
1.997


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
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
16729
265
VAL
CB
39.057
1
16501
22
VAL
CB
39.102
1
6603
96
VAL
CB
39.124
1
6847
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
5663
31
VAL
CB
39.64
.
4486
108
VAL
CB
39.77
1
5516
52
VAL
CB
39.8
1
17853
80
VAL
CB
39.848
1
16729
253
VAL
CB
40.015
1
7325
51
VAL
CB
40.023
.
17471
242
VAL
CB
40.284
1
4874
62
VAL
CB
40.305
1
4349
2
VAL
CB
40.4
1
4136
34
VAL
CB
40.4
1
16837
157
VAL
CB
40.47
1
5500
10
VAL
CB
40.554
1
6468
185
VAL
CB
40.711
1
4391
52
VAL
CB
40.75
1
16043
111
VAL
CB
40.979
1
6582
80
VAL
CB
41.17
1
7302
67
VAL
CB
41.283
1
4385
69
VAL
CB
41.3
1
16729
254
VAL
CB
41.353
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
11492
71
VAL
CB
42.041
1
5128
51
VAL
CB
42.3
1
4232
83
VAL
CB
42.3
1
4232
45
VAL
CB
42.54
1
4232
80
VAL
CB
42.66
1
6322
41
VAL
CB
42.837
1
4232
65
VAL
CB
43.68
1
17474
135
VAL
CB
43.703
1
4984
62
VAL
CB
44
1
15785
21
VAL
CB
45.331
.
15952
21
VAL
CB
45.331
.
7180
62
VAL
CB
46
1
6501
85
VAL
CB
54
1
5500
72
VAL
CB
54.421
9
17626
56
VAL
CB
60
1
16729
323
VAL
CB
62.432
1
15877
16
VAL
CB
63.107
1
4817
37
VAL
CB
64.65
1
16168
22
VAL
CB
67.29
1
16729
325
VAL
CB
67.939
1
16729
223
VAL
CB
70.483
1
4150
36
VAL
CB
71.318
.
4150
70
VAL
CB
71.923
.
4150
14
VAL
CB
72.729
.
4150
4
VAL
CB
72.86
.
4150
80
VAL
CB
74.252
.
5179
18
VAL
CB
79.98
.
5179
78
VAL
CB
80.58
.
5179
44
VAL
CB
83.08
.
5179
66
VAL
CB
83.08
.
5179
74
VAL
CB
83.58
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16729
95
VAL
CB
17.208
1
16729
213
VAL
CB
17.347
1
16729
225
VAL
CB
17.675
1
4236
19
VAL
CB
20.24
1
6586
40
VAL
CB
20.554
1
4775
73
VAL
CB
22.04
1
6586
49
VAL
CB
22.084
9
4431
109
VAL
CB
23.2
1
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
4431
102
VAL
CB
24.1
1
4431
41
VAL
CB
24.2
1
4431
107
VAL
CB
24.2
1
6586
37
VAL
CB
24.591
1
18396
61
VAL
CB
25.069
1
4431
64
VAL
CB
25.1
1
4431
32
VAL
CB
25.1
1
18706
9
VAL
CB
25.152
1
5312
47
VAL
CB
25.3
1
4782
97
VAL
CB
25.31
1
17456
64
VAL
CB
25.54
1
16884
64
VAL
CB
25.7
1
5547
48
VAL
CB
25.7
1
17456
75
VAL
CB
25.729
1
6350
3
VAL
CB
25.76
1
4431
87
VAL
CB
25.8
1
6904
69
VAL
CB
25.86
1
6903
69
VAL
CB
25.874
1
16057
22
VAL
CB
26.12
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
11001
71
VAL
CB
26.4
1
17782
40
VAL
CB
26.549
1
6583
76
VAL
CB
26.56
1
19272
283
VAL
CB
26.589
1
17236
86
VAL
CB
26.6
1
17529
43
VAL
CB
26.699
1
4867
119
VAL
CB
26.7
1
16884
38
VAL
CB
26.7
1
11133
98
VAL
CB
26.729
1
17660
132
VAL
CB
26.737
1