VAL CG1 Chemical Shift Outliers

___________________________________________________
VAL CG1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29643
21.533
-7.4
117.16
1.919


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
17497
74
VAL
CG1
27.307
1
17866
78
VAL
CG1
27.84
2
16305
124
VAL
CG1
28.049
2
4981
14
VAL
CG1
28.1
2
4961
59
VAL
CG1
28.345
2
15826
121
VAL
CG1
28.511
2
16676
31
VAL
CG1
28.616
.
5894
37
VAL
CG1
28.78
1
4740
51
VAL
CG1
29
1
5101
19
VAL
CG1
32.27
2
5041
46
VAL
CG1
37.372
1
15874
24
VAL
CG1
40.503
1
15873
24
VAL
CG1
40.503
1
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
81
VAL
CG1
44.299
.
6723
42
VAL
CG1
44.299
.
6723
37
VAL
CG1
45.946
.
15129
26
VAL
CG1
47.411
1
15877
16
VAL
CG1
49.984
2
4564
123
VAL
CG1
50.9
1
4736
48
VAL
CG1
51.2
1
5631
101
VAL
CG1
57.2
1
5631
31
VAL
CG1
57.3
1
5631
93
VAL
CG1
57.4
1
5631
47
VAL
CG1
57.5
1
5631
98
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
4150
4
VAL
CG1
60.957
.
4150
36
VAL
CG1
61.16
.
4150
70
VAL
CG1
61.665
.
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
4431
87
VAL
CG1
11.6
2
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
4431
107
VAL
CG1
14.2
2
4431
39
VAL
CG1
14.4
2
4431
64
VAL
CG1
14.4
2
6990
85
VAL
CG1
14.663
1
5312
33
VAL
CG1
14.7
1
11236
17
VAL
CG1
14.757
2
6645
37
VAL
CG1
14.77
2
4431
109
VAL
CG1
14.8
2
11001
71
VAL
CG1
14.9
1
11126
91
VAL
CG1
14.957
2
5312
19
VAL
CG1
15
1
6348
30
VAL
CG1
15.1
.
5312
47
VAL
CG1
15.1
1
5887
113
VAL
CG1
15.1
2
19033
57
VAL
CG1
15.103
.
1642
33
VAL
CG1
15.3
2
4953
103
VAL
CG1
15.389
1
4431
70
VAL
CG1
15.4
2
4431
68
VAL
CG1
15.4
2
16884
58
VAL
CG1
15.4
1
17456
75
VAL
CG1
15.593
1
17806
61
VAL
CG1
15.599
2
4431
38
VAL
CG1
15.6
2
16884
43
VAL
CG1
15.6
1
16108
240
VAL
CG1
15.624
2
7019
85
VAL
CG1
15.646
1
16345
12
VAL
CG1
15.757
2
15086
38
VAL
CG1
7.969
1