LEU CD1 Chemical Shift Outliers

___________________________________________________
LEU CD1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11913
24.607
10.945
31.83
1.660


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4136
93
LEU
CD1
29.6
2
4740
50
LEU
CD1
30.1
2
7089
127
LEU
CD1
31
1
5904
41
LEU
CD1
31.8
1
5894
82
LEU
CD1
31.83
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5970
118
LEU
CD1
10.945
1
4431
95
LEU
CD1
11.7
2
5970
31
LEU
CD1
12.379
1
4380
78
LEU
CD1
13.77
2
5899
52
LEU
CD1
14.469
.
6990
6
LEU
CD1
14.975
1
5899
66
LEU
CD1
15.214
.
4431
106
LEU
CD1
15.3
1
4431
136
LEU
CD1
15.7
2
4317
69
LEU
CD1
16.4
2
6348
32
LEU
CD1
16.5
.
6147
108
LEU
CD1
16.764
1
5992
49
LEU
CD1
16.9
1
1977
75
LEU
CD1
16.91
1
6727
31
LEU
CD1
16.92
2
7119
119
LEU
CD1
16.932
1
7287
69
LEU
CD1
16.958
1
1975
75
LEU
CD1
16.99
1
4929
48
LEU
CD1
17.14
2
7019
28
LEU
CD1
17.225
1
4136
20
LEU
CD1
17.3
2
4431
15
LEU
CD1
17.3
2
4661
61
LEU
CD1
17.5
1
7089
113
LEU
CD1
17.6
1
4431
40
LEU
CD1
17.6
2
6348
29
LEU
CD1
17.7
.
5312
15
LEU
CD1
17.8
2
6348
35
LEU
CD1
17.8
.
4431
57
LEU
CD1
17.9
2
4775
64
LEU
CD1
17.91
1
7287
98
LEU
CD1
17.982
1
5755
20
LEU
CD1
18.03
1
6709
144
LEU
CD1
18.032
1
4431
42
LEU
CD1
18.2
2
5982
69
LEU
CD1
18.38
.
5312
51
LEU
CD1
18.4
2
6644
127
LEU
CD1
18.46
2
6073
13
LEU
CD1
18.47
.
15315
130
LEU
CD1
18.586
1
5929
120
LEU
CD1
18.6
1
5312
79
LEU
CD1
18.6
2
1975
56
LEU
CD1
18.63
1
15232
108
LEU
CD1
18.636
1
5324
57
LEU
CD1
18.64
1
6645
44
LEU
CD1
18.64
2
6531
49
LEU
CD1
18.673
.
6147
59
LEU
CD1
18.673
1
1977
56
LEU
CD1
18.75
1
5594
28
LEU
CD1
18.77
2
4431
96
LEU
CD1
18.8
2
6612
66
LEU
CD1
18.9
.
5129
54
LEU
CD1
19.02
2
6346
77
LEU
CD1
19.029
2
5455
152
LEU
CD1
19.1
2
11001
61
LEU
CD1
19.1
1
15531
70
LEU
CD1
19.139
.
4869
62
LEU
CD1
19.2
2
5324
53
LEU
CD1
19.262
1
6645
118
LEU
CD1
19.27
2
6531
71
LEU
CD1
19.274
.
6850
56
LEU
CD1
19.292
2
6779
69
LEU
CD1
19.293
.
7089
82
LEU
CD1
19.3
1
4998
65
LEU
CD1
19.3
1
5312
66
LEU
CD1
19.3
2
5866
4
LEU
CD1
19.3
2
7034
31
LEU
CD1
19.302
.
7059
35
LEU
CD1
19.344
1
5590
72
LEU
CD1
19.37
2
5742
96
LEU
CD1
19.405
.
4829
87
LEU
CD1
19.417
1
4782
105
LEU
CD1
19.43
2
6484
52
LEU
CD1
19.43
1
7241
55
LEU
CD1
19.46
1
7034
66
LEU
CD1
19.47
.
4829
55
LEU
CD1
19.478
1
4821
50
LEU
CD1
19.505
1
7300
16
LEU
CD1
19.52
2
4354
160
LEU
CD1
19.56
1
5312
72
LEU
CD1
19.6
2