VAL CG1 Chemical Shift Outliers

___________________________________________________
VAL CG1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
42023
21.554
-7.4
321.185
2.482


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4909
20
VAL
CG1
117.16
2
25656
68
VAL
CG1
29.378
.
19854
124
VAL
CG1
29.683
1
19857
57
VAL
CG1
31.539
1
5101
19
VAL
CG1
32.27
2
25442
21
VAL
CG1
321.185
.
26593
30
VAL
CG1
33.07
2
5041
46
VAL
CG1
37.372
1
15873
24
VAL
CG1
40.503
1
15874
24
VAL
CG1
40.503
1
36117
74
VAL
CG1
41.21
.
5041
39
VAL
CG1
41.784
1
15874
58
VAL
CG1
41.908
1
15873
58
VAL
CG1
41.908
1
5791
20
VAL
CG1
42.4
1
17955
7
VAL
CG1
42.647
.
6723
42
VAL
CG1
44.299
.
6723
81
VAL
CG1
44.299
.
6723
37
VAL
CG1
45.946
.
18951
6
VAL
CG1
46.645
1
18951
39
VAL
CG1
47.345
1
15129
26
VAL
CG1
47.411
1
19716
3
VAL
CG1
48.2281
2
18951
23
VAL
CG1
48.895
1
25382
22
VAL
CG1
49.226
.
25382
71
VAL
CG1
49.663
.
15877
16
VAL
CG1
49.984
2
4564
123
VAL
CG1
50.9
1
4736
48
VAL
CG1
51.2
1
34022
135
VAL
CG1
51.4137
.
26552
160
VAL
CG1
51.4137
.
26552
64
VAL
CG1
53.2257
.
34022
39
VAL
CG1
53.2257
.
34022
45
VAL
CG1
53.2887
.
26552
70
VAL
CG1
53.2887
.
26552
141
VAL
CG1
53.3147
.
34022
116
VAL
CG1
53.3147
.
26552
33
VAL
CG1
53.3277
.
34022
8
VAL
CG1
53.3277
.
26552
51
VAL
CG1
53.3887
.
34022
26
VAL
CG1
53.3887
.
34022
117
VAL
CG1
53.6607
.
26552
142
VAL
CG1
53.6607
.
26552
45
VAL
CG1
53.9447
.
34022
20
VAL
CG1
53.9447
.
26552
150
VAL
CG1
54.0877
.
34022
125
VAL
CG1
54.0877
.
26552
131
VAL
CG1
54.5207
.
34022
106
VAL
CG1
54.5207
.
34022
144
VAL
CG1
54.7847
.
26552
169
VAL
CG1
54.7847
.
26552
121
VAL
CG1
54.8167
.
34022
96
VAL
CG1
54.8167
.
34022
72
VAL
CG1
55.9507
.
26552
97
VAL
CG1
55.9507
.
5631
101
VAL
CG1
57.2
1
5631
31
VAL
CG1
57.3
1
5631
93
VAL
CG1
57.4
1
5631
98
VAL
CG1
57.5
1
5631
47
VAL
CG1
57.5
1
5631
83
VAL
CG1
57.7
1
5631
50
VAL
CG1
57.8
1
5631
15
VAL
CG1
58.1
1
5631
17
VAL
CG1
59
1
34042
145
VAL
CG1
60.571
.
4150
4
VAL
CG1
60.957
.
4150
36
VAL
CG1
61.16
.
4150
70
VAL
CG1
61.665
.
36136
20
VAL
CG1
61.878
.
4150
80
VAL
CG1
62.226
.
4150
14
VAL
CG1
64.283
.
5179
78
VAL
CG1
67.88
.
5179
66
VAL
CG1
68.68
.
5179
44
VAL
CG1
69.38
.
5179
74
VAL
CG1
69.78
.
5179
18
VAL
CG1
71.98
.
6837
145
VAL
CG1
72.916
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15841
72
VAL
CG1
-5.4
1
15841
16
VAL
CG1
-7.4
1
18982
8
VAL
CG1
.722
1
18982
1
VAL
CG1
.857
1
4431
87
VAL
CG1
11.6
2
26012
154
VAL
CG1
12.071
.
11001
85
VAL
CG1
12.8
1
4431
41
VAL
CG1
12.9
2
4431
32
VAL
CG1
13.2
2
4901
88
VAL
CG1
13.53
1
15086
38
VAL
CG1
7.969
1