VAL CG2 Chemical Shift Outliers

___________________________________________________
VAL CG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
40518
21.346
-5.648
320.42
2.581


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5303
6
VAL
CG2
30.463
2
5275
99
VAL
CG2
31.103
1
25864
16
VAL
CG2
31.7
1
25442
21
VAL
CG2
320.42
.
26593
30
VAL
CG2
33.07
2
25693
5
VAL
CG2
33.118
1
15873
58
VAL
CG2
39.618
1
15874
58
VAL
CG2
39.618
1
15873
24
VAL
CG2
40.909
1
15874
24
VAL
CG2
40.909
1
36117
74
VAL
CG2
41.21
.
5041
12
VAL
CG2
41.626
1
5041
39
VAL
CG2
44.1
1
6723
37
VAL
CG2
44.299
.
6723
42
VAL
CG2
45.397
.
18951
6
VAL
CG2
47.345
1
18951
39
VAL
CG2
47.345
1
19716
3
VAL
CG2
48.44
2
15129
32
VAL
CG2
48.617
1
18951
23
VAL
CG2
50.595
1
34022
96
VAL
CG2
50.7097
.
26552
121
VAL
CG2
50.7097
.
4736
48
VAL
CG2
51.4
1
15877
16
VAL
CG2
51.657
2
34022
144
VAL
CG2
53.1237
.
26552
169
VAL
CG2
53.1237
.
34022
39
VAL
CG2
53.2257
.
26552
64
VAL
CG2
53.2257
.
26552
70
VAL
CG2
53.2887
.
34022
45
VAL
CG2
53.2887
.
34022
116
VAL
CG2
53.3417
.
26552
141
VAL
CG2
53.3417
.
34022
135
VAL
CG2
53.7727
.
26552
160
VAL
CG2
53.7727
.
34022
8
VAL
CG2
53.9507
.
26552
33
VAL
CG2
53.9507
.
4854
213
VAL
CG2
54
.
34022
26
VAL
CG2
54.0177
.
26552
51
VAL
CG2
54.0177
.
26552
45
VAL
CG2
54.0627
.
34022
20
VAL
CG2
54.0627
.
26552
150
VAL
CG2
54.0647
.
34022
125
VAL
CG2
54.0647
.
26552
131
VAL
CG2
54.4987
.
34022
106
VAL
CG2
54.4987
.
34022
72
VAL
CG2
54.5797
.
26552
97
VAL
CG2
54.5797
.
34022
117
VAL
CG2
54.6787
.
26552
142
VAL
CG2
54.6787
.
5631
15
VAL
CG2
56.1
1
5631
101
VAL
CG2
56.2
1
5631
50
VAL
CG2
56.7
1
5631
31
VAL
CG2
56.9
1
5631
47
VAL
CG2
57.2
1
5631
17
VAL
CG2
57.3
1
5631
98
VAL
CG2
57.8
1
5631
93
VAL
CG2
59.4
1
4150
36
VAL
CG2
59.885
.
5631
83
VAL
CG2
60.4
1
34042
145
VAL
CG2
60.571
.
4150
80
VAL
CG2
60.762
.
4150
4
VAL
CG2
60.957
.
4150
14
VAL
CG2
61.431
.
36136
20
VAL
CG2
61.878
.
4150
70
VAL
CG2
62.023
.
17497
74
VAL
CG2
62.781
1
7184
82
VAL
CG2
65.44
1
5179
74
VAL
CG2
67.48
.
5179
66
VAL
CG2
68.48
.
5179
44
VAL
CG2
68.88
.
5179
78
VAL
CG2
68.88
.
5179
18
VAL
CG2
71.18
.
25382
71
VAL
CG2
75.655
.
25382
22
VAL
CG2
76.263
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15584
92
VAL
CG2
-5.648
1
18982
8
VAL
CG2
.628
1
18982
1
VAL
CG2
.826
1
4431
87
VAL
CG2
11.3
2
26012
217
VAL
CG2
11.375
.
26012
154
VAL
CG2
11.489
.
25887
63
VAL
CG2
12.755
1
4431
64
VAL
CG2
13.2
2
4431
107
VAL
CG2
13.2
2
25239
36
VAL
CG2
13.257
1
18621
36
VAL
CG2
13.257
2
4431
39
VAL
CG2
13.4
2
4431
68
VAL
CG2
13.5
2
27251
17
VAL
CG2
13.569
1
5303
39
VAL
CG2
13.582
2
25855
119
VAL
CG2
8.16
.
25854
119
VAL
CG2
8.16
.
15086
38
VAL
CG2
8.224
1