LEU CD2 Chemical Shift Outliers

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LEU CD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11193
24.080
12.5
30.4
1.734


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10011
68
LEU
CD2
29.524
1
4740
54
LEU
CD2
29.8
2
4995
17
LEU
CD2
30.4
2
4995
7
LEU
CD2
30.4
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4431
42
LEU
CD2
12.5
2
6727
31
LEU
CD2
12.946
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
6990
6
LEU
CD2
14.975
1
4317
69
LEU
CD2
16
2
5866
82
LEU
CD2
16.4
2
4431
56
LEU
CD2
16.4
2
5312
66
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
7019
28
LEU
CD2
17.216
1
4136
20
LEU
CD2
17.3
2
5225
20
LEU
CD2
17.31
2
4583
21
LEU
CD2
17.45
.
6125
47
LEU
CD2
17.7
1
6073
119
LEU
CD2
17.97
.
6709
144
LEU
CD2
18.032
1
7360
177
LEU
CD2
18.089
1
7089
113
LEU
CD2
18.1
1
6080
114
LEU
CD2
18.104
1
6231
111
LEU
CD2
18.18
1
5982
69
LEU
CD2
18.21
.
15120
147
LEU
CD2
18.29
.
6348
3
LEU
CD2
18.4
.
6787
121
LEU
CD2
18.43
1
11018
24
LEU
CD2
18.44
1
5887
105
LEU
CD2
18.5
2
6348
19
LEU
CD2
18.5
.
1580
141
LEU
CD2
18.5
2
4049
91
LEU
CD2
18.5
2
6348
20
LEU
CD2
18.6
.
6612
66
LEU
CD2
18.6
.
15114
63
LEU
CD2
18.635
1
7360
12
LEU
CD2
18.673
1
6147
47
LEU
CD2
18.697
1
5929
44
LEU
CD2
18.7
1
7256
62
LEU
CD2
18.7
1
6080
85
LEU
CD2
18.754
1
5558
82
LEU
CD2
18.774
1
5742
9
LEU
CD2
18.78
.
6080
117
LEU
CD2
18.793
1
4858
80
LEU
CD2
18.8
2
6914
116
LEU
CD2
18.8
.
6348
23
LEU
CD2
18.8
.
5389
61
LEU
CD2
18.8
1
6484
9
LEU
CD2
18.81
1
7267
63
LEU
CD2
18.834
2
7250
63
LEU
CD2
18.834
2
7275
63
LEU
CD2
18.834
2