LEU CG Chemical Shift Outliers

___________________________________________________
LEU CG Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
24292
26.787
15.3
37.7
1.089


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10161
14
LEU
CG
30.063
1
17477
11
LEU
CG
30.064
1
17170
22
LEU
CG
30.084
1
17249
45
LEU
CG
30.1
1
5758
14
LEU
CG
30.1
1
16536
99
LEU
CG
30.1
1
19195
128
LEU
CG
30.11
1
16137
41
LEU
CG
30.12
.
6609
11
LEU
CG
30.122
1
17899
31
LEU
CG
30.139
1
6752
12
LEU
CG
30.14
.
6753
12
LEU
CG
30.14
.
16675
156
LEU
CG
30.151
1
18190
30
LEU
CG
30.186
1
10095
77
LEU
CG
30.193
1
18312
27
LEU
CG
30.2
1
5792
76
LEU
CG
30.2
1
17039
80
LEU
CG
30.2
1
16058
62
LEU
CG
30.205
1
18592
44
LEU
CG
30.214
1
7191
84
LEU
CG
30.24
1
18825
14
LEU
CG
30.248
1
7068
25
LEU
CG
30.268
.
5107
19
LEU
CG
30.295
1
15716
28
LEU
CG
30.3
1
6693
52
LEU
CG
30.301
1
16675
53
LEU
CG
30.305
1
7025
13
LEU
CG
30.305
1
11307
64
LEU
CG
30.322
1
16009
62
LEU
CG
30.322
1
16231
9
LEU
CG
30.325
1
18504
21
LEU
CG
30.33
1
11062
109
LEU
CG
30.331
1
6705
36
LEU
CG
30.334
.
10236
23
LEU
CG
30.36
1
15944
63
LEU
CG
30.37
1
15924
167
LEU
CG
30.385
1
10237
23
LEU
CG
30.389
1
6725
63
LEU
CG
30.39
1
5389
34
LEU
CG
30.4
1
10239
78
LEU
CG
30.401
1
10238
69
LEU
CG
30.405
1
16033
37
LEU
CG
30.416
1
5820
200
LEU
CG
30.418
.
15531
73
LEU
CG
30.422
.
16992
118
LEU
CG
30.456
1
18002
61
LEU
CG
30.475
1
10235
23
LEU
CG
30.49
1
4599
29
LEU
CG
30.5
.
15800
96
LEU
CG
30.5
1
4497
29
LEU
CG
30.5
.
16253
28
LEU
CG
30.5
1
5177
37
LEU
CG
30.5
1
11104
62
LEU
CG
30.503
1
10137
109
LEU
CG
30.51
1
15935
44
LEU
CG
30.512
1
4974
1
LEU
CG
30.542
1
11053
86
LEU
CG
30.567
1
10090
133
LEU
CG
30.577
1
11330
100
LEU
CG
30.583
1
4342
112
LEU
CG
30.6
1
6787
21
LEU
CG
30.65
1
16297
33
LEU
CG
30.65
1
5516
55
LEU
CG
30.7
1
15204
66
LEU
CG
30.7
1
16992
199
LEU
CG
30.703
1
11095
40
LEU
CG
30.742
1
5942
151
LEU
CG
30.749
1
5973
16
LEU
CG
30.773
.
11094
40
LEU
CG
30.774
1
6532
56
LEU
CG
30.783
.
5678
42
LEU
CG
30.8
1
6147
56
LEU
CG
30.819
1
16996
50
LEU
CG
30.821
1
17509
138
LEU
CG
30.838
1
10331
14
LEU
CG
30.839
1
5678
129
LEU
CG
30.85
1
7070
101
LEU
CG
30.879
1
15716
95
LEU
CG
30.9
1
17249
36
LEU
CG
30.9
1
4472
46
LEU
CG
30.9
1
4722
161
LEU
CG
30.9
1
19193
37
LEU
CG
30.915
1
19196
37
LEU
CG
30.915
1
4901
28
LEU
CG
30.93
1
5224
116
LEU
CG
31
1
6532
9
LEU
CG
31.041
.
19067
138
LEU
CG
31.087
1
18107
75
LEU
CG
31.147
1
7093
5
LEU
CG
31.173
1
5973
50
LEU
CG
31.224
.
16929
41
LEU
CG
31.247
1
16058
178
LEU
CG
31.257
1
6901
53
LEU
CG
31.29
1
6514
128
LEU
CG
31.3
1
15020
31
LEU
CG
31.305
1
15385
117
LEU
CG
31.35
1
18507
46
LEU
CG
31.356
1
7260
65
LEU
CG
31.357
1
17526
110
LEU
CG
31.419
1
16946
127
LEU
CG
31.462
1
6315
118
LEU
CG
31.5
1
7204
118
LEU
CG
31.544
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
17734
78
LEU
CG
31.667
1
5328
77
LEU
CG
31.8
1
6712
47
LEU
CG
31.807
1
16874
107
LEU
CG
31.816
1
7131
129
LEU
CG
31.841
1
18445
13
LEU
CG
31.89
1
5309
65
LEU
CG
31.9
1
6843
76
LEU
CG
31.92
1
17127
129
LEU
CG
31.943
1
5070
38
LEU
CG
32
1
15743
74
LEU
CG
32.1
1
15280
144
LEU
CG
32.163
1
6207
103
LEU
CG
32.2
1
6331
31
LEU
CG
32.214
1
7089
125
LEU
CG
32.3
1
6843
78
LEU
CG
32.36
1
6148
51
LEU
CG
32.411
1
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
4136
99
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
6147
94
LEU
CG
32.719
1
16329
54
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
7089
127
LEU
CG
33
1
7089
115
LEU
CG
33
1
4339
76
LEU
CG
33
1
6125
179
LEU
CG
33
1
17952
10
LEU
CG
33.263
1
6272
29
LEU
CG
33.31
1
17866
61
LEU
CG
33.44
1
5973
81
LEU
CG
33.667
.
15743
50
LEU
CG
34
1
16380
98
LEU
CG
34.31
1
5894
82
LEU
CG
34.37
1
5070
66
LEU
CG
34.5
1
6531
46
LEU
CG
35.203
.
5404
111
LEU
CG
35.604
1
6923
70
LEU
CG
36.082
1
6540
115
LEU
CG
36.41
1
6799
62
LEU
CG
37.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19154
12
LEU
CG
15.3
1
5242
44
LEU
CG
15.569
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
6331
32
LEU
CG
19.622
1
16884
87
LEU
CG
19.7
1
16884
19
LEU
CG
19.8
1
5887
121
LEU
CG
20.1
1
15200
51
LEU
CG
20.1
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
.
15557
124
LEU
CG
20.3
1
6129
51
LEU
CG
20.3
.
17250
113
LEU
CG
20.3
1
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
4401
49
LEU
CG
20.74
1
18137
65
LEU
CG
20.853
1
16164
77
LEU
CG
20.876
1
16832
46
LEU
CG
20.98
1
16884
14
LEU
CG
21
1
16665
102
LEU
CG
21.128
1
5946
15
LEU
CG
21.15
1
18434
52
LEU
CG
21.163
1
5312
66
LEU
CG
21.2
1
6242
40
LEU
CG
21.3
1
5312
51
LEU
CG
21.4
1
4473
11
LEU
CG
21.42
1
16662
102
LEU
CG
21.467
1
16884
29
LEU
CG
21.5
1
15008
7
LEU
CG
21.506
1
5165
69
LEU
CG
21.596
1
5312
58
LEU
CG
21.6
1
16329
72
LEU
CG
21.626
1
16832
98
LEU
CG
21.66
1
17443
89
LEU
CG
21.671
1
17974
47
LEU
CG
21.706
1
15253
152
LEU
CG
21.72
1
16832
146
LEU
CG
21.85
1
4162
3
LEU
CG
21.89
1
7287
20
LEU
CG
21.897
1
16708
197
LEU
CG
21.9
1
5077
94
LEU
CG
21.91
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
.
16708
5
LEU
CG
22
1
5127
84
LEU
CG
22.091
1
6015
59
LEU
CG
22.094
1
16329
112
LEU
CG
22.106
1
5235
93
LEU
CG
22.11
1
4047
85
LEU
CG
22.2
1
16708
146
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
6267
28
LEU
CG
22.24
1
16872
82
LEU
CG
22.24
1
15487
54
LEU
CG
22.245
.
15693
37
LEU
CG
22.25
1
15385
121
LEU
CG
22.3
1
16114
24
LEU
CG
22.322
1
7129
30
LEU
CG
22.33
1
17028
26
LEU
CG
22.333
1
6787
71
LEU
CG
22.338
1
6331
13
LEU
CG
22.352
1
4863
70
LEU
CG
22.4
1
17700
103
LEU
CG
22.4
1
16872
90
LEU
CG
22.415
1
17490
11
LEU
CG
22.416
1
1061
67
LEU
CG
22.45
1
1062
66
LEU
CG
22.45
1
5324
105
LEU
CG
22.463
1
5772
45
LEU
CG
22.487
1
11124
42
LEU
CG
22.499
1
4045
71
LEU
CG
22.5
1
6317
20
LEU
CG
22.508
1
15010
18
LEU
CG
22.523
1
6903
61
LEU
CG
22.547
1
4299
125
LEU
CG
22.58
1
4300
125
LEU
CG
22.58
1
6709
21
LEU
CG
22.598
1
5813
128
LEU
CG
22.605
1
11011
128
LEU
CG
22.605
1
5077
79
LEU
CG
22.63
1
16713
19
LEU
CG
22.633
1
15722
98
LEU
CG
22.684
1
6904
61
LEU
CG
22.69
1
11142
111
LEU
CG
22.692
1
18048
70
LEU
CG
22.7
1
4317
69
LEU
CG
22.7
1
5678
137
LEU
CG
22.72
1
4593
59
LEU
CG
22.73
1
5772
128
LEU
CG
22.735
1
15693
111
LEU
CG
22.78
1
15669
53
LEU
CG
22.79
1
16832
56
LEU
CG
22.79
1
16114
65
LEU
CG
22.808
1
17832
12
LEU
CG
22.864
1
16712
19
LEU
CG
22.889
1
5711
72
LEU
CG
22.9
1
15763
48
LEU
CG
22.9
1
6031
60
LEU
CG
22.91
1
5813
139
LEU
CG
22.918
1
11011
139
LEU
CG
22.918
1
6532
63
LEU
CG
22.925
.
6531
93
LEU
CG
22.925
.
16440
176
LEU
CG
22.929
1
6787
121
LEU
CG
22.94
1
5324
53
LEU
CG
22.959
1
15440
56
LEU
CG
22.959
1
17974
61
LEU
CG
22.963
1
15722
37
LEU
CG
22.973
1
16002
28
LEU
CG
22.98
1
18000
83
LEU
CG
22.98
1
5594
27
LEU
CG
22.98
1
18190
56
LEU
CG
22.997
1
17261
41
LEU
CG
23
1
15763
46
LEU
CG
23
1
15385
57
LEU
CG
23
1
4858
41
LEU
CG
23
1
18318
90
LEU
CG
23
1
4869
62
LEU
CG
23
1
15578
220
LEU
CG
23.04
1
18389
167
LEU
CG
23.047
1
18905
89
LEU
CG
23.055
.
6531
9
LEU
CG
23.057
.
6553
38
LEU
CG
23.06
.
11423
131
LEU
CG
23.065
1
6147
32
LEU
CG
23.066
1
11149
3
LEU
CG
23.071
1
11443
3
LEU
CG
23.071
1
17398
76
LEU
CG
23.092
1
4317
27
LEU
CG
23.1
1
7396
15
LEU
CG
23.102
.
11126
80
LEU
CG
23.126
1
17479
163
LEU
CG
23.131
1
6150
5
LEU
CG
23.137
1
6111
118
LEU
CG
23.14
1
17505
66
LEU
CG
23.161
1
16114
59
LEU
CG
23.163
1
6502
50
LEU
CG
23.169
1
15009
18
LEU
CG
23.176
1
18135
17
LEU
CG
23.182
1
6913
5
LEU
CG
23.184
1
7147
16
LEU
CG
23.185
1
6073
34
LEU
CG
23.19
.
6648
39
LEU
CG
23.196
1
4019
12
LEU
CG
23.2
1
15470
9
LEU
CG
23.208
1
15578
120
LEU
CG
23.209
1
15578
77
LEU
CG
23.227
1
5813
135
LEU
CG
23.231
1
11011
135
LEU
CG
23.231
1
17398
68
LEU
CG
23.237
1
11242
26
LEU
CG
23.239
1
11149
19
LEU
CG
23.249
1
11443
19
LEU
CG
23.249
1
15578
242
LEU
CG
23.253
1
16329
57
LEU
CG
23.259
1
6812
90
LEU
CG
23.26
1
6604
30
LEU
CG
23.266
1
17425
6
LEU
CG
23.2662
1
16712
100
LEU
CG
23.272
1
7267
60
LEU
CG
23.275
1
7275
60
LEU
CG
23.275
1
7250
60
LEU
CG
23.275
1
6111
65
LEU
CG
23.28
1
15578
177
LEU
CG
23.283
1
15008
18
LEU
CG
23.288
1
6531
6
LEU
CG
23.288
.
11018
22
LEU
CG
23.29
1
16832
125
LEU
CG
23.29
1
11124
48
LEU
CG
23.291
1
15114
60
LEU
CG
23.292
1
5127
14
LEU
CG
23.296
1
5093
32
LEU
CG
23.3
1
7082
44
LEU
CG
23.3
1
7082
41
LEU
CG
23.3
1
15200
95
LEU
CG
23.3
1
4869
92
LEU
CG
23.3
1
4858
80
LEU
CG
23.3
1
17700
53
LEU
CG
23.3
1
15200
84
LEU
CG
23.3
1
4858
47
LEU
CG
23.3
1
4974
49
LEU
CG
23.305
1
6738
67
LEU
CG
23.31
1
11018
58
LEU
CG
23.31
1
6073
13
LEU
CG
23.31
.
18027
39
LEU
CG
23.313
1
17974
57
LEU
CG
23.315
1
11129
45
LEU
CG
23.324
1
11146
53
LEU
CG
23.332
1
15537
20
LEU
CG
23.332
1
7250
67
LEU
CG
23.334
1
7267
67
LEU
CG
23.334
1
11146
92
LEU
CG
23.334
1
7275
67
LEU
CG
23.334
1
15578
110
LEU
CG
23.361
1
16887
63
LEU
CG
23.369
1
17477
123
LEU
CG
23.371
1
16164
40
LEU
CG
23.376
1
11146
105
LEU
CG
23.378
1
6073
43
LEU
CG
23.38
.
18905
86
LEU
CG
23.381
.
5899
7
LEU
CG
23.382
.
7360
177
LEU
CG
23.387
1
15578
182
LEU
CG
23.397
1
15315
130
LEU
CG
23.398
1
18312
125
LEU
CG
23.4
1
4858
77
LEU
CG
23.4
1
5077
75
LEU
CG
23.4
1
15200
108
LEU
CG
23.4
1
7360
47
LEU
CG
23.403
1
4959
88
LEU
CG
23.407
1
6150
23
LEU
CG
23.412
1
17443
113
LEU
CG
23.413
1
11084
42
LEU
CG
23.417
1
5623
109
LEU
CG
23.417
1
7275
7
LEU
CG
23.419
1
7267
7
LEU
CG
23.419
1
11149
15
LEU
CG
23.419
1
7250
7
LEU
CG
23.419
1
11141
54
LEU
CG
23.419
1
11443
15
LEU
CG
23.419
1
6484
44
LEU
CG
23.42
1
7360
180
LEU
CG
23.422
1
11143
60
LEU
CG
23.428
1
4445
53
LEU
CG
23.43
1
16832
123
LEU
CG
23.43
1
17479
49
LEU
CG
23.437
1
15938
66
LEU
CG
23.437
1
15010
50
LEU
CG
23.443
1
4081
17
LEU
CG
23.45
1
6147
20
LEU
CG
23.451
1
18471
10
LEU
CG
23.453
1
17479
192
LEU
CG
23.454
1
6150
52
LEU
CG
23.455
1
11145
60
LEU
CG
23.467
1
6980
3
LEU
CG
23.467
1
5594
28
LEU
CG
23.47
1
17974
133
LEU
CG
23.477
1
4821
83
LEU
CG
23.484
1
4821
14
LEU
CG
23.484
1
18292
97
LEU
CG
23.489
1
15722
118
LEU
CG
23.492
1
18118
101
LEU
CG
23.495
1
6317
53
LEU
CG
23.497
1
16708
79
LEU
CG
23.5
1
15763
60
LEU
CG
23.5
1
4562
75
LEU
CG
23.5
1
15746
19
LEU
CG
23.5
1
6309
91
LEU
CG
23.5
1
5928
38
LEU
CG
23.5
1
15295
161
LEU
CG
23.506
1
15179
59
LEU
CG
23.51
.
6317
47
LEU
CG
23.511
1
6080
119
LEU
CG
23.514
1