LEU CD2 Chemical Shift Outliers

___________________________________________________
LEU CD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
36627
24.073
9.86
32.515
1.679


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16260
94
LEU
CD2
29.121
1
30193
31
LEU
CD2
29.139
1
19008
31
LEU
CD2
29.139
1
10030
46
LEU
CD2
29.14
2
4082
111
LEU
CD2
29.2
1
18276
56
LEU
CD2
29.39
.
26016
105
LEU
CD2
29.453
2
18853
175
LEU
CD2
29.481
2
10011
68
LEU
CD2
29.524
1
4740
54
LEU
CD2
29.8
2
25832
115
LEU
CD2
29.957
1
19156
43
LEU
CD2
29.969
2
17822
140
LEU
CD2
29.981
2
16033
37
LEU
CD2
30.234
2
4995
17
LEU
CD2
30.4
2
4995
7
LEU
CD2
30.4
2
30447
4
LEU
CD2
32.515
.
30446
4
LEU
CD2
32.515
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
26012
177
LEU
CD2
10.193
.
15487
54
LEU
CD2
11.706
.
27055
11
LEU
CD2
11.81
.
6727
31
LEU
CD2
12.946
2
5377
12
LEU
CD2
12.95
2
34131
60
LEU
CD2
13.167
1
17576
152
LEU
CD2
13.212
2
17582
152
LEU
CD2
13.42
2
4839
33
LEU
CD2
13.59
9
6531
9
LEU
CD2
14.44
.
18692
17
LEU
CD2
14.8
1
18435
105
LEU
CD2
14.86
1
17425
45
LEU
CD2
15.1575
1
15487
87
LEU
CD2
15.196
.
17009
62
LEU
CD2
15.247
2
16597
2
LEU
CD2
15.6
2
25157
102
LEU
CD2
15.8
2
4317
69
LEU
CD2
16
2
5312
66
LEU
CD2
16.4
2
5866
82
LEU
CD2
16.4
2
19586
116
LEU
CD2
16.482
1
1977
75
LEU
CD2
16.91
1
15813
99
LEU
CD2
16.975
2
6944
98
LEU
CD2
16.988
.
1975
75
LEU
CD2
16.99
1
5755
20
LEU
CD2
17
1
6114
101
LEU
CD2
17
1
5000
7
LEU
CD2
17.02
1
18027
39
LEU
CD2
17.031
1
16114
59
LEU
CD2
17.057
2
16971
53
LEU
CD2
17.13
1
7019
28
LEU
CD2
17.216
1
25760
79
LEU
CD2
17.232
.
4136
20
LEU
CD2
17.3
2
5225
20
LEU
CD2
17.31
2
16884
51
LEU
CD2
17.4
1
11034
26
LEU
CD2
17.448
1
4583
21
LEU
CD2
17.45
.
10260
68
LEU
CD2
17.55
2
25132
121
LEU
CD2
17.604
1
6125
47
LEU
CD2
17.7
1
26805
174
LEU
CD2
17.786
.
34131
79
LEU
CD2
17.964
1
6073
119
LEU
CD2
17.97
.
5377
44
LEU
CD2
17.98
2
27078
160
LEU
CD2
18
1
16050
41
LEU
CD2
18
2
6709
144
LEU
CD2
18.032
1
30515
109
LEU
CD2
18.054
1
11146
92
LEU
CD2
18.073
2
7360
177
LEU
CD2
18.089
1
16884
29
LEU
CD2
18.1
1
7089
113
LEU
CD2
18.1
1
25859
113
LEU
CD2
18.1
1
6080
114
LEU
CD2
18.104
1
6231
111
LEU
CD2
18.18
1
16884
83
LEU
CD2
18.2
1
27078
129
LEU
CD2
18.2
1
19776
61
LEU
CD2
18.202
.
16887
20
LEU
CD2
18.204
2
5982
69
LEU
CD2
18.21
.
17443
113
LEU
CD2
18.24
2
16160
79
LEU
CD2
18.257
2
15120
147
LEU
CD2
18.29
.
16884
19
LEU
CD2
18.3
1
19777
61
LEU
CD2
18.301
.
11142
58
LEU
CD2
18.337
2
15470
32
LEU
CD2
18.346
2
10075
81
LEU
CD2
18.37
2
11146
105
LEU
CD2
18.379
2
11085
102
LEU
CD2
18.384
2
16097
136
LEU
CD2
18.394
1
25828
58
LEU
CD2
18.4
1
25833
58
LEU
CD2
18.4
1
17700
103
LEU
CD2
18.4
.
15943
22
LEU
CD2
18.41
1
19715
35
LEU
CD2
18.41
2
17974
61
LEU
CD2
18.42
2
6787
121
LEU
CD2
18.43
1
11018
24
LEU
CD2
18.44
1
19495
15
LEU
CD2
18.45
1
4049
91
LEU
CD2
18.5
2
5887
105
LEU
CD2
18.5
2
18048
70
LEU
CD2
18.5
1
30375
84
LEU
CD2
18.507
.
25573
115
LEU
CD2
18.5217
2
11125
68
LEU
CD2
18.539
2
16832
56
LEU
CD2
18.54
2
25573
87
LEU
CD2
18.5487
2
17799
88
LEU
CD2
18.549
2
25582
7
LEU
CD2
18.553
1
16887
63
LEU
CD2
18.585
2
34131
38
LEU
CD2
18.599
1
30537
44
LEU
CD2
18.6
1
6612
66
LEU
CD2
18.6
.
26717
115
LEU
CD2
18.6
1
16884
87
LEU
CD2
18.6
1
15826
77
LEU
CD2
18.618
2
19394
53
LEU
CD2
18.622
1
19417
180
LEU
CD2
18.629
1
15114
63
LEU
CD2
18.635
1
19077
27
LEU
CD2
18.639
1
19413
186
LEU
CD2
18.659
1
7360
12
LEU
CD2
18.673
1
17289
113
LEU
CD2
18.684
2
4984
69
LEU
CD2
18.69
1
6147
47
LEU
CD2
18.697
1
30139
68
LEU
CD2
18.7
1
7256
62
LEU
CD2
18.7
1
19077
26
LEU
CD2
18.719
1
17443
9
LEU
CD2
18.726
2
6080
85
LEU
CD2
18.754
1
25226
77
LEU
CD2
18.76
1
25225
77
LEU
CD2
18.76
1
34041
59
LEU
CD2
18.773
2
5558
82
LEU
CD2
18.774
1
15669
69
LEU
CD2
18.79
1
6080
117
LEU
CD2
18.793
1
26580
50
LEU
CD2
18.794
2
25573
62
LEU
CD2
18.7968
2
4858
80
LEU
CD2
18.8
2
5389
61
LEU
CD2
18.8
1
6484
9
LEU
CD2
18.81
1
11126
58
LEU
CD2
18.819
2
11129
78
LEU
CD2
18.819
2
11292
77
LEU
CD2
18.828
2
19496
111
LEU
CD2
18.83
1
11143
60
LEU
CD2
18.832
2
25924
17
LEU
CD2
18.833
.
7275
63
LEU
CD2
18.834
2
7267
63
LEU
CD2
18.834
2
7250
63
LEU
CD2
18.834
2
25761
76
LEU
CD2
18.857
.
18801
71
LEU
CD2
18.859
.
25428
73
LEU
CD2
18.86
.
17425
18
LEU
CD2
18.8647
1
30325
34
LEU
CD2
18.87
1
30515
75
LEU
CD2
18.87
1
19033
44
LEU
CD2
18.875
2
6150
132
LEU
CD2
18.88
1
4127
103
LEU
CD2
18.9
1
15507
107
LEU
CD2
18.902
1
11280
75
LEU
CD2
18.909
2
18574
26
LEU
CD2
18.91
2
6644
130
LEU
CD2
18.93
2
18435
42
LEU
CD2
18.93
1
6563
9
LEU
CD2
18.933
2
11143
106
LEU
CD2
18.935
2
17777
64
LEU
CD2
18.947
2
6645
44
LEU
CD2
18.95
2
25803
66
LEU
CD2
18.96
2
25970
73
LEU
CD2
18.964
.
7267
20
LEU
CD2
18.969
2
7250
20
LEU
CD2
18.969
2
6843
11
LEU
CD2
18.97
1
10330
21
LEU
CD2
18.976
2
16713
19
LEU
CD2
18.976
1
16712
19
LEU
CD2
18.981
1
5324
25
LEU
CD2
18.993
1
17477
160
LEU
CD2
18.996
1
11214
44
LEU
CD2
18.999
2
18575
26
LEU
CD2
19
2
7089
125
LEU
CD2
19
1
6869
16
LEU
CD2
19
1
25859
125
LEU
CD2
19
1
16164
43
LEU
CD2
19.001
1
26580
50
LEU
CD2
19.004
2
25745
22
LEU
CD2
19.004
2
10334
21
LEU
CD2
19.029
2
6645
9
LEU
CD2
19.03
2
11034
55
LEU
CD2
9.86
1