LEU CD2 Chemical Shift Outliers

___________________________________________________
LEU CD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14676
24.107
6
73.48
2.287


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5791
6
LEU
CD2
41.77
1
5631
85
LEU
CD2
57.8
1
5631
86
LEU
CD2
58.4
1
5631
59
LEU
CD2
58.4
1
5631
8
LEU
CD2
59.5
1
4150
73
LEU
CD2
59.539
.
5631
60
LEU
CD2
60.1
1
5631
23
LEU
CD2
60.6
1
5631
95
LEU
CD2
61.2
1
4150
24
LEU
CD2
62.782
.
4150
39
LEU
CD2
63.537
.
4150
12
LEU
CD2
63.704
.
4150
20
LEU
CD2
64.257
.
4150
26
LEU
CD2
64.564
.
4649
78
LEU
CD2
64.922
.
5179
10
LEU
CD2
71.18
.
5179
35
LEU
CD2
71.98
.
5179
37
LEU
CD2
72.98
.
5179
45
LEU
CD2
73.28
.
5179
12
LEU
CD2
73.48
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15487
54
LEU
CD2
11.706
.
4431
42
LEU
CD2
12.5
2
6727
31
LEU
CD2
12.946
2
5377
11
LEU
CD2
12.95
2
4839
33
LEU
CD2
13.59
9
4431
40
LEU
CD2
14.2
2
6531
9
LEU
CD2
14.44
.
4431
96
LEU
CD2
14.5
2
4953
49
LEU
CD2
14.9
1
6990
6
LEU
CD2
14.975
1
15487
87
LEU
CD2
15.196
.
5983
123
LEU
CD2
15.9
1
4317
69
LEU
CD2
16
2
5312
66
LEU
CD2
16.4
2
5866
82
LEU
CD2
16.4
2
4431
56
LEU
CD2
16.4
2
1977
75
LEU
CD2
16.91
1
6944
98
LEU
CD2
16.988
.
1975
75
LEU
CD2
16.99
1
6114
101
LEU
CD2
17
1
5755
20
LEU
CD2
17
1
5000
7
LEU
CD2
17.02
1
4330
158
LEU
CD2
17.121
.
7019
28
LEU
CD2
17.216
1
4448
80
LEU
CD2
6
1