LEU CG Chemical Shift Outliers

___________________________________________________
LEU CG Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
45846
26.804
0
75.28
1.514


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15385
117
LEU
CG
31.35
1
18507
46
LEU
CG
31.356
1
7260
65
LEU
CG
31.357
1
34085
65
LEU
CG
31.378
1
19368
47
LEU
CG
31.401
1
19368
47
LEU
CG
31.401
.
17526
110
LEU
CG
31.419
1
16946
127
LEU
CG
31.462
1
18508
46
LEU
CG
31.482
1
6315
118
LEU
CG
31.5
1
30133
77
LEU
CG
31.502
9
4683
136
LEU
CG
31.512
1
36013
28
LEU
CG
31.539
1
36101
28
LEU
CG
31.539
1
7204
118
LEU
CG
31.544
1
26925
107
LEU
CG
31.572
1
18312
101
LEU
CG
31.6
1
16335
68
LEU
CG
31.62
1
18228
94
LEU
CG
31.623
1
6635
83
LEU
CG
31.629
1
17866
28
LEU
CG
31.64
1
25153
87
LEU
CG
31.654
.
17734
78
LEU
CG
31.667
1
6365
87
LEU
CG
31.7
1
11578
28
LEU
CG
31.733
1
11594
28
LEU
CG
31.734
1
19834
36
LEU
CG
31.766
.
5328
77
LEU
CG
31.8
1
6712
47
LEU
CG
31.807
1
16874
107
LEU
CG
31.816
1
6803
64
LEU
CG
31.82
1
19355
5
LEU
CG
31.828
.
7131
129
LEU
CG
31.841
1
25955
21
LEU
CG
31.845
1
25810
72
LEU
CG
31.8478
1
18445
13
LEU
CG
31.89
1
5309
65
LEU
CG
31.9
1
15304
7
LEU
CG
31.9
1
11116
64
LEU
CG
31.906
1
6843
76
LEU
CG
31.92
1
34073
44
LEU
CG
31.925
1
17127
129
LEU
CG
31.943
1
15949
119
LEU
CG
31.957
.
19156
18
LEU
CG
31.973
1
7202
37
LEU
CG
32
1
5070
38
LEU
CG
32
1
30133
84
LEU
CG
32.028
9
17311
118
LEU
CG
32.063
1
15743
74
LEU
CG
32.1
1
15280
144
LEU
CG
32.163
1
6207
103
LEU
CG
32.2
1
30133
35
LEU
CG
32.213
9
6331
31
LEU
CG
32.214
1
17128
129
LEU
CG
32.219
1
30307
42
LEU
CG
32.241
.
4854
207
LEU
CG
32.25
.
16804
143
LEU
CG
32.256
1
16787
143
LEU
CG
32.256
1
19117
129
LEU
CG
32.299
1
7089
125
LEU
CG
32.3
1
25859
125
LEU
CG
32.3
1
5907
9
LEU
CG
32.32
1
16448
42
LEU
CG
32.332
1
6843
78
LEU
CG
32.36
1
17134
129
LEU
CG
32.382
1
6148
51
LEU
CG
32.411
1
26725
81
LEU
CG
32.425
.
6147
78
LEU
CG
32.431
1
7286
77
LEU
CG
32.467
1
6141
24
LEU
CG
32.475
.
7310
24
LEU
CG
32.475
1
5942
68
LEU
CG
32.493
1
15819
96
LEU
CG
32.516
1
26048
152
LEU
CG
32.519
1
4136
99
LEU
CG
32.6
1
16521
78
LEU
CG
32.6
1
27078
68
LEU
CG
32.6
1
17968
39
LEU
CG
32.63
1
17967
39
LEU
CG
32.63
1
4296
45
LEU
CG
32.7
1
16329
54
LEU
CG
32.719
1
6147
94
LEU
CG
32.719
1
7084
24
LEU
CG
32.77
.
6277
3
LEU
CG
32.796
1
4394
75
LEU
CG
32.8
1
15517
63
LEU
CG
32.8
1
19152
92
LEU
CG
32.86
.
7106
25
LEU
CG
32.905
1
6142
146
LEU
CG
33
1
25859
115
LEU
CG
33
1
4339
76
LEU
CG
33
1
25859
127
LEU
CG
33
1
7089
127
LEU
CG
33
1
6125
179
LEU
CG
33
1
7089
115
LEU
CG
33
1
4106
199
LEU
CG
33.17
.
17952
10
LEU
CG
33.263
1
5467
66
LEU
CG
33.27
1
6272
29
LEU
CG
33.31
1
19834
49
LEU
CG
33.316
.
17866
61
LEU
CG
33.44
1
19106
128
LEU
CG
33.445
.
19417
52
LEU
CG
33.505
1
19834
62
LEU
CG
33.51
.
30446
4
LEU
CG
33.567
.
30447
4
LEU
CG
33.567
.
25043
182
LEU
CG
33.598
1
18578
89
LEU
CG
33.618
1
15760
115
LEU
CG
33.664
1
5973
81
LEU
CG
33.667
.
17693
21
LEU
CG
33.727
1
4076
18
LEU
CG
33.8
1
26765
11
LEU
CG
33.885
1
15743
50
LEU
CG
34
1
26657
110
LEU
CG
34.18
1
16380
98
LEU
CG
34.31
1
5894
82
LEU
CG
34.37
1
5070
66
LEU
CG
34.5
1
15813
11
LEU
CG
34.8
.
6531
46
LEU
CG
35.203
.
5404
111
LEU
CG
35.604
1
25527
31
LEU
CG
35.67
1
15854
89
LEU
CG
35.83
1
30133
167
LEU
CG
36.284
9
4001
33
LEU
CG
36.31
1
6540
115
LEU
CG
36.41
1
4001
36
LEU
CG
36.83
1
6837
130
LEU
CG
37.198
.
6519
54
LEU
CG
37.524
1
6799
62
LEU
CG
37.7
1
4127
103
LEU
CG
37.8
1
6883
55
LEU
CG
38.621
1
15011
19
LEU
CG
39.561
1
26638
58
LEU
CG
40.1774
1
7178
96
LEU
CG
40.6
1
17886
38
LEU
CG
40.881
1
17886
35
LEU
CG
40.919
1
15949
117
LEU
CG
41.075
.
4668
63
LEU
CG
41.217
1
18705
16
LEU
CG
41.331
1
25640
68
LEU
CG
41.475
1
4078
2
LEU
CG
41.7
1
7208
15
LEU
CG
41.997
1
6142
6
LEU
CG
42.1
1
15961
37
LEU
CG
42.2
1
7202
17
LEU
CG
42.3
1
17905
86
LEU
CG
42.31
1
15961
125
LEU
CG
43.7
1
4214
85
LEU
CG
44.193
.
4089
6
LEU
CG
44.2
1
15874
33
LEU
CG
44.857
1
15873
33
LEU
CG
44.857
1
15873
66
LEU
CG
44.98
1
15874
66
LEU
CG
44.98
1
15873
52
LEU
CG
45.014
1
15874
52
LEU
CG
45.014
1
15874
29
LEU
CG
45.232
1
15873
29
LEU
CG
45.232
1
4068
23
LEU
CG
45.3
1
15874
60
LEU
CG
45.88
1
15873
60
LEU
CG
45.88
1
15874
42
LEU
CG
46.2
1
15873
42
LEU
CG
46.2
1
15874
12
LEU
CG
46.638
1
15873
12
LEU
CG
46.638
1
4413
80
LEU
CG
49.361
1
25382
47
LEU
CG
53.916
.
25382
24
LEU
CG
54.381
.
25382
84
LEU
CG
54.751
.
25382
33
LEU
CG
54.877
.
25382
59
LEU
CG
55.01
.
25382
73
LEU
CG
55.311
.
15877
11
LEU
CG
56.678
1
18340
8
LEU
CG
57.0813
1
18340
14
LEU
CG
57.2051
1
26552
82
LEU
CG
57.7287
.
34022
57
LEU
CG
57.7287
.
4150
73
LEU
CG
65.413
.
17608
90
LEU
CG
66.141
1
4150
24
LEU
CG
66.376
.
4150
39
LEU
CG
66.985
.
4792
19
LEU
CG
67.09
1
4150
20
LEU
CG
67.324
.
4150
26
LEU
CG
67.582
.
4150
12
LEU
CG
69.279
.
4649
78
LEU
CG
69.38
.
5179
38
LEU
CG
73.08
.
5179
36
LEU
CG
73.88
.
5179
46
LEU
CG
73.88
.
5179
11
LEU
CG
74.78
.
5179
13
LEU
CG
75.28
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25446
61
LEU
CG
0
.
25681
36
LEU
CG
1.58
.
19154
12
LEU
CG
15.3
1
5242
44
LEU
CG
15.569
1
15540
78
LEU
CG
16.76
1
6626
49
LEU
CG
17.2
1
26743
28
LEU
CG
17.608
1
27284
131
LEU
CG
17.966
.
18388
142
LEU
CG
18.267
1
30032
14
LEU
CG
18.506
1
26725
41
LEU
CG
18.808
.
18388
140
LEU
CG
18.852
1
18904
65
LEU
CG
19.005
.
15540
26
LEU
CG
19.02
1
16380
75
LEU
CG
19.262
1
6331
88
LEU
CG
19.292
1
4929
48
LEU
CG
19.32
1
16884
51
LEU
CG
19.4
1
18904
39
LEU
CG
19.501
.
25573
87
LEU
CG
19.5514
1
25640
35
LEU
CG
19.596
1
6331
32
LEU
CG
19.622
1
25379
85
LEU
CG
19.672
1
16884
87
LEU
CG
19.7
1
16884
19
LEU
CG
19.8
1
4953
98
LEU
CG
19.806
1
4953
87
LEU
CG
19.894
1
5887
121
LEU
CG
20.1
1
15200
51
LEU
CG
20.1
1
18578
76
LEU
CG
20.126
1
16114
96
LEU
CG
20.172
1
6331
103
LEU
CG
20.236
1
16164
62
LEU
CG
20.251
1
6130
51
LEU
CG
20.3
.
6129
51
LEU
CG
20.3
.
17250
113
LEU
CG
20.3
1
15557
124
LEU
CG
20.3
1
6385
11
LEU
CG
20.327
1
30133
23
LEU
CG
20.356
9
6331
70
LEU
CG
20.396
1
16884
83
LEU
CG
20.4
1
4162
45
LEU
CG
20.53
1
6727
101
LEU
CG
20.609
1
18612
20
LEU
CG
20.62
1
27019
63
LEU
CG
20.632
.
4401
49
LEU
CG
20.74
1
6385
25
LEU
CG
20.845
1
18137
65
LEU
CG
20.853
1
16164
77
LEU
CG
20.876
1
25573
60
LEU
CG
20.9601
1
25379
91
LEU
CG
20.972
1
16832
46
LEU
CG
20.98
1
16884
14
LEU
CG
21
1
4089
72
LEU
CG
21.1
1
19542
1
LEU
CG
21.119
1
16665
102
LEU
CG
21.128
1
5946
15
LEU
CG
21.15
1
18434
52
LEU
CG
21.163
1
6295
177
LEU
CG
21.189
1
4193
213
LEU
CG
21.2
1
5312
66
LEU
CG
21.2
1
17640
125
LEU
CG
21.207
1
30237
29
LEU
CG
21.282
.
6242
40
LEU
CG
21.3
1
25573
62
LEU
CG
21.3157
1
30133
154
LEU
CG
21.38
9
4078
19
LEU
CG
21.4
1
5312
51
LEU
CG
21.4
1
6190
45
LEU
CG
21.406
.
4473
11
LEU
CG
21.42
1
15011
7
LEU
CG
21.44
1
16662
102
LEU
CG
21.467
1
19693
16
LEU
CG
21.498
.
5276
40
LEU
CG
21.5
1
16884
29
LEU
CG
21.5
1
15008
7
LEU
CG
21.506
1
4984
109
LEU
CG
21.556
1
4068
48
LEU
CG
21.59
1
5165
69
LEU
CG
21.596
1
4829
87
LEU
CG
21.596
1
5312
58
LEU
CG
21.6
1
4471
96
LEU
CG
21.6
1
16329
72
LEU
CG
21.626
1
16832
98
LEU
CG
21.66
1
19687
172
LEU
CG
21.668
1
17443
89
LEU
CG
21.671
1
25379
63
LEU
CG
21.683
1
4127
108
LEU
CG
21.7
1
17974
47
LEU
CG
21.706
1
15253
152
LEU
CG
21.72
1
25379
32
LEU
CG
21.733
1
25379
51
LEU
CG
21.778
1
18412
75
LEU
CG
21.793
1
7103
28
LEU
CG
21.8
1
25400
20
LEU
CG
21.807
1
15958
49
LEU
CG
21.814
1
27019
77
LEU
CG
21.824
.
4263
37
LEU
CG
21.83
1
18934
66
LEU
CG
21.846
1
16832
146
LEU
CG
21.85
1
25379
136
LEU
CG
21.883
1
4162
3
LEU
CG
21.89
1
7287
20
LEU
CG
21.897
1
16708
197
LEU
CG
21.9
1
4085
87
LEU
CG
21.9
1
5077
94
LEU
CG
21.91
1
26593
88
LEU
CG
21.93
1
18434
50
LEU
CG
21.936
1
5000
139
LEU
CG
21.97
1
5594
45
LEU
CG
21.97
1
17505
7
LEU
CG
21.998
1
6531
49
LEU
CG
21.999
.
6348
19
LEU
CG
22
.
16708
5
LEU
CG
22
1
18910
50
LEU
CG
22.04
1
15591
29
LEU
CG
22.074
1
5127
84
LEU
CG
22.091
1
6015
59
LEU
CG
22.094
1
6049
64
LEU
CG
22.101
.
16329
112
LEU
CG
22.106
1
5235
93
LEU
CG
22.11
1
17456
33
LEU
CG
22.115
1
17456
22
LEU
CG
22.119
1
17456
36
LEU
CG
22.141
1
17497
94
LEU
CG
22.164
1
16708
146
LEU
CG
22.2
1
4047
85
LEU
CG
22.2
1
6331
17
LEU
CG
22.21
1
6540
38
LEU
CG
22.22
1
7002
15
LEU
CG
22.23
1
16872
82
LEU
CG
22.24
1
6267
28
LEU
CG
22.24
1
15487
54
LEU
CG
22.245
.
15693
37
LEU
CG
22.25
1
15972
71
LEU
CG
22.256
1