LEU HG Chemical Shift Outliers

___________________________________________________
LEU HG Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
39190
1.510
-1.06
3.9
0.328


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6807
290
LEU
HG
2.497
1
6519
78
LEU
HG
2.499
1
6781
81
LEU
HG
2.5
1
16174
69
LEU
HG
2.519
1
34326
9
LEU
HG
2.539
.
11251
119
LEU
HG
2.548
1
16189
48
LEU
HG
2.564
1
11298
36
LEU
HG
2.577
1
11298
52
LEU
HG
2.578
1
6433
92
LEU
HG
2.58
1
25499
92
LEU
HG
2.59
1
4974
1
LEU
HG
2.592
1
6147
57
LEU
HG
2.594
1
11298
29
LEU
HG
2.606
1
27608
144
LEU
HG
2.614
.
4821
106
LEU
HG
2.62
1
11299
27
LEU
HG
2.635
1
6361
11
LEU
HG
2.646
1
11298
32
LEU
HG
2.658
1
25859
125
LEU
HG
2.66
1
7089
125
LEU
HG
2.66
1
25832
57
LEU
HG
2.752
1
6826
26
LEU
HG
2.777
1
5018
87
LEU
HG
2.81
.
15280
40
LEU
HG
2.849
1
19694
88
LEU
HG
2.88
.
4589
86
LEU
HG
2.91
.
11298
23
LEU
HG
2.914
1
6147
20
LEU
HG
3.028
1
18939
45
LEU
HG
3.056
1
6779
4
LEU
HG
3.062
.
4599
15
LEU
HG
3.12
.
4497
15
LEU
HG
3.12
.
17578
32
LEU
HG
3.155
1
30247
24
LEU
HG
3.233
.
6147
32
LEU
HG
3.322
1
293
29
LEU
HG
3.9
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17250
252
LEU
HG
-.003
1
5943
71
LEU
HG
-.003
1
16353
14
LEU
HG
-.004
1
27610
63
LEU
HG
-.008
1
27032
13
LEU
HG
-.014
1
6012
63
LEU
HG
-.024
1
17278
94
LEU
HG
-.026
1
7310
98
LEU
HG
-.037
1
18142
39
LEU
HG
-.04
1
25492
115
LEU
HG
-.07
1
30098
115
LEU
HG
-.074
1
25277
79
LEU
HG
-.08
1
30061
55
LEU
HG
-.112
1
16169
61
LEU
HG
-.123
1
6688
125
LEU
HG
-.14
1
18155
73
LEU
HG
-.155
1
6439
33
LEU
HG
-.156
1
16171
61
LEU
HG
-.16
1
16170
61
LEU
HG
-.165
1
15988
76
LEU
HG
-.175
1
4036
57
LEU
HG
-.18
1
19108
179
LEU
HG
-.199
.
18154
110
LEU
HG
-.212
1
16172
61
LEU
HG
-.22
1
15059
44
LEU
HG
-.234
1
15557
124
LEU
HG
-.24
1
17250
113
LEU
HG
-.24
1
975
63
LEU
HG
-.25
1
16490
6
LEU
HG
-.283
1
30353
135
LEU
HG
-.283
1
5280
69
LEU
HG
-.29
1
16285
71
LEU
HG
-.297
1
4964
63
LEU
HG
-.31
1
19988
64
LEU
HG
-.317
.
6868
114
LEU
HG
-.317
1
10106
71
LEU
HG
-.325
1
6125
22
LEU
HG
-.36
1
16463
39
LEU
HG
-.416
1
6292
30
LEU
HG
-.43
1
30353
135
LEU
HG
-.465
1
6004
75
LEU
HG
-.47
1
15922
98
LEU
HG
-.494
1
15059
166
LEU
HG
-.515
1
19297
70
LEU
HG
-.527
1
16372
82
LEU
HG
-.556
1
16329
98
LEU
HG
-.611
1
6310
98
LEU
HG
-.654
.
18154
148
LEU
HG
-.665
1
19671
72
LEU
HG
-.7
1
19300
6
LEU
HG
-.758
1
18155
22
LEU
HG
-.784
1
10235
23
LEU
HG
-.82
1
10236
23
LEU
HG
-.88
1
10238
69
LEU
HG
-.884
1
10239
78
LEU
HG
-.888
1
10237
23
LEU
HG
-.889
1
2066
63
LEU
HG
-1
1
5398
171
LEU
HG
-1.034
1
2067
63
LEU
HG
-1.06
1
6331
39
LEU
HG
.006
1
36061
43
LEU
HG
.007
1
15314
36
LEU
HG
.008
1
17443
55
LEU
HG
.012
1
18201
58
LEU
HG
.014
1
16008
33
LEU
HG
.024
1
6578
90
LEU
HG
.025
1
15793
73
LEU
HG
.025
1
17833
86
LEU
HG
.027
1
27519
21
LEU
HG
.03
1
34287
102
LEU
HG
.03
.
19624
74
LEU
HG
.037
1
34195
18
LEU
HG
.042
1
5578
20
LEU
HG
.06
.
5328
30
LEU
HG
.064
1
16613
164
LEU
HG
.065
1
5567
51
LEU
HG
.08
1
17358
60
LEU
HG
.09
1
30221
5
LEU
HG
.096
1
6331
103
LEU
HG
.096
1
17493
136
LEU
HG
.1
1
5165
69
LEU
HG
.105
1
16712
97
LEU
HG
.107
1
30074
56
LEU
HG
.109
1
18533
30
LEU
HG
.11
1
10328
21
LEU
HG
.113
1
4661
86
LEU
HG
.12
1
18346
10
LEU
HG
.12
1
11303
13
LEU
HG
.125
1
15369
141
LEU
HG
.128
1
6971
26
LEU
HG
.14
1
27519
82
LEU
HG
.14
1
11223
64
LEU
HG
.143
1
10253
38
LEU
HG
.144
1
18434
16
LEU
HG
.147
1
11296
13
LEU
HG
.15
1
25496
42
LEU
HG
.151
1
19967
72
LEU
HG
.152
1
7020
39
LEU
HG
.154
1
25066
27
LEU
HG
.155
1
16463
79
LEU
HG
.159
1
5012
30
LEU
HG
.16
1
18511
53
LEU
HG
.164
1
10254
10
LEU
HG
.169
1
15373
25
LEU
HG
.17
1
4879
121
LEU
HG
.17
2
5104
14
LEU
HG
.17
1
16712
100
LEU
HG
.176
1
6134
53
LEU
HG
.18
1
10143
31
LEU
HG
.181
1
19551
66
LEU
HG
.181
1
15324
63
LEU
HG
.182
1
17021
120
LEU
HG
.192
1
18228
65
LEU
HG
.197
1
30317
6
LEU
HG
.2
.
15120
135
LEU
HG
.2039
.
6460
141
LEU
HG
.204
1
10312
38
LEU
HG
.207
1
5842
72
LEU
HG
.21
1
17278
98
LEU
HG
.213
1
6475
117
LEU
HG
.215
1
17418
148
LEU
HG
.22
.
5492
44
LEU
HG
.22
1
5100
31
LEU
HG
.22
1
25770
23
LEU
HG
.222
1
16605
7
LEU
HG
.227
1
27857
82
LEU
HG
.23
1
4259
44
LEU
HG
.23
1
5628
77
LEU
HG
.23
1
5100
31
LEU
HG
.23
1
6644
105
LEU
HG
.23
1
4036
13
LEU
HG
.23
1
18613
168
LEU
HG
.23
1
19666
31
LEU
HG
.234
1
6613
57
LEU
HG
.239
1
18211
66
LEU
HG
.239
1
19783
72
LEU
HG
.239
1
16002
28
LEU
HG
.24
1
34043
71
LEU
HG
.242
1
6613
159
LEU
HG
.244
1
16189
85
LEU
HG
.246
1
18154
123
LEU
HG
.246
1
26802
42
LEU
HG
.248
1
16913
86
LEU
HG
.25
1
5077
94
LEU
HG
.25
1
25002
56
LEU
HG
.25
1
17637
35
LEU
HG
.253
1
18761
113
LEU
HG
.255
1
6043
68
LEU
HG
.25573
1
7009
30
LEU
HG
.257
.
19732
84
LEU
HG
.258
1
18375
59
LEU
HG
.26
1
15483
86
LEU
HG
.264
1
17923
6
LEU
HG
.269
1
19417
176
LEU
HG
.275
1
7063
109
LEU
HG
.276
1
17636
57
LEU
HG
.277
1
5820
94
LEU
HG
.278
.
16879
109
LEU
HG
.28
1
6333
21
LEU
HG
.28
1
19927
99
LEU
HG
.28
1
18533
150
LEU
HG
.28
1
30043
100
LEU
HG
.28
1
30375
168
LEU
HG
.283
.
19297
43
LEU
HG
.284
1
18013
89
LEU
HG
.289
1
18910
50
LEU
HG
.29
1
16039
80
LEU
HG
.291
1
25576
61
LEU
HG
.296
1
30207
75
LEU
HG
.297
.
17405
9
LEU
HG
.301
1
17124
94
LEU
HG
.302
1
10146
21
LEU
HG
.303
1
6401
31
LEU
HG
.304
1
15111
42
LEU
HG
.305
.
15280
69
LEU
HG
.306
1
10114
14
LEU
HG
.308
1
19906
78
LEU
HG
.31
1
2006
141
LEU
HG
.31
1
25195
39
LEU
HG
.31
1
5233
99
LEU
HG
.31
1
4342
112
LEU
HG
.31
1
15358
22
LEU
HG
.313
1
7364
64
LEU
HG
.314
1
11011
128
LEU
HG
.315
1
18853
239
LEU
HG
.318
1
16118
80
LEU
HG
.32
1
30098
14
LEU
HG
.321
1
17085
14
LEU
HG
.327
1
15330
22
LEU
HG
.328
1
16058
160
LEU
HG
.328
1
19927
129
LEU
HG
.329
1
25492
14
LEU
HG
.329
1
16262
93
LEU
HG
.329
1
30043
130
LEU
HG
.329
1
5225
20
LEU
HG
.33
1
6454
99
LEU
HG
.33
1
4288
30
LEU
HG
.33
1
18673
92
LEU
HG
.33
1
6841
28
LEU
HG
.331
.
5711
72
LEU
HG
.331
1
19391
13
LEU
HG
.331
1
19732
25
LEU
HG
.334
1
25871
27
LEU
HG
.335
1
25168
70
LEU
HG
.335
1
27643
41
LEU
HG
.337
.
27159
132
LEU
HG
.338
1
19225
34
LEU
HG
.339
1
7256
62
LEU
HG
.34
1
1102
141
LEU
HG
.34
1
5233
82
LEU
HG
.34
1
27033
118
LEU
HG
.346
1
16033
79
LEU
HG
.348
1
5813
128
LEU
HG
.349
1
16176
21
LEU
HG
.34925
1
6046
36
LEU
HG
.35
4
6640
18
LEU
HG
.35
1
19117
19
LEU
HG
.35
1
18255
69
LEU
HG
.35
1
16912
61
LEU
HG
.351
1
18994
97
LEU
HG
.351
1
6563
9
LEU
HG
.354
1
15369
109
LEU
HG
.354
1
16379
102
LEU
HG
.354
1
6310
122
LEU
HG
.357
.
15128
19
LEU
HG
.358
1
4925
17
LEU
HG
.358
1
6640
98
LEU
HG
.36
1
6972
87
LEU
HG
.36
1
15097
26
LEU
HG
.36
2
18152
117
LEU
HG
.361
1
19807
105
LEU
HG
.363
1
6876
27
LEU
HG
.366
1
16912
77
LEU
HG
.367
1
25400
114
LEU
HG
.368
1
34326
70
LEU
HG
.37
.
4696
7
LEU
HG
.37
1
25994
108
LEU
HG
.37
.
2224
84
LEU
HG
.37
1
27146
120
LEU
HG
.371
1
19444
54
LEU
HG
.372
1
15722
98
LEU
HG
.3722
1
26995
18
LEU
HG
.374
1
17235
71
LEU
HG
.38
1
5628
107
LEU
HG
.38
1
11270
49
LEU
HG
.38
1
25288
42
LEU
HG
.38
1
16719
61
LEU
HG
.38
1
6911
99
LEU
HG
.382
1
34290
12
LEU
HG
.383
.
17412
80
LEU
HG
.384
1
15407
33
LEU
HG
.384
1
18416
18
LEU
HG
.389
.
6971
74
LEU
HG
.39
1
16571
29
LEU
HG
.39
1
34030
108
LEU
HG
.391
1
15922
122
LEU
HG
.392
1
25832
116
LEU
HG
.393
1
17374
88
LEU
HG
.394
.
6882
21
LEU
HG
.396
1
16058
57
LEU
HG
.398
1
25104
98
LEU
HG
.399
.
19439
54
LEU
HG
.399
1
16329
72
LEU
HG
.399
1
19526
87
LEU
HG
.399
1
27078
160
LEU
HG
.4
1
18211
129
LEU
HG
.4
1
6046
55
LEU
HG
.4
1
17021
77
LEU
HG
.402
1
6439
76
LEU
HG
.402
1
19436
83
LEU
HG
.403
1
18489
24
LEU
HG
.407
1
7055
125
LEU
HG
.41
1
6645
118
LEU
HG
.41
1
30537
83
LEU
HG
.41
1
27151
165
LEU
HG
.415
1
16380
93
LEU
HG
.416
1
5221
99
LEU
HG
.416
1
10323
21
LEU
HG
.416
1
7118
21
LEU
HG
.418
.
30061
45
LEU
HG
.42
1
5513
11
LEU
HG
.421
1
10047
63
LEU
HG
.421
1
18011
126
LEU
HG
.423
1
16846
38
LEU
HG
.424
1
6479
46
LEU
HG
.424
1
18214
59
LEU
HG
.424
1
18346
43
LEU
HG
.426
1
7019
28
LEU
HG
.426
1
19439
68
LEU
HG
.428
1
19625
67
LEU
HG
.43
1
5846
72
LEU
HG
.43
1
19290
14
LEU
HG
.43
1
27265
98
LEU
HG
.432
1
11348
150
LEU
HG
.432
1
18019
5
LEU
HG
.433
1
6762
5
LEU
HG
.433
.
6762
5
LEU
HG
.433
.
19589
127
LEU
HG
.434
1
30098
122
LEU
HG
.434
1
6794
21
LEU
HG
.435
1
10334
21
LEU
HG
.437
1
17777
23
LEU
HG
.438
1
25492
122
LEU
HG
.438
1
4340
119
LEU
HG
.44
1
4186
119
LEU
HG
.44
1
11011
96
LEU
HG
.44
1
15120
21
LEU
HG
.44
.
6331
51
LEU
HG
.443
1
17085
122
LEU
HG
.444
1
19776
61
LEU
HG
.444
.
15369
102
LEU
HG
.444
1
4821
50
LEU
HG
.445
1
17319
106
LEU
HG
.449
1
17033
17
LEU
HG
.45
1
4559
29
LEU
HG
.45
.
4070
82
LEU
HG
.45
1
18432
45
LEU
HG
.454
.
18624
38
LEU
HG
.456
1
25400
4
LEU
HG
.456
1
17170
22
LEU
HG
.458
1
18761
15
LEU
HG
.458
1
10080
64
LEU
HG
.458
1
10333
27
LEU
HG
.458
1
19518
123
LEU
HG
.458
1
18733
14
LEU
HG
.459
1
6075
9
LEU
HG
.46
1
6755
67
LEU
HG
.46
1
5232
162
LEU
HG
.46
1
26534
52
LEU
HG
.46
1
4127
124
LEU
HG
.46
1
5813
96
LEU
HG
.461
1
27159
108
LEU
HG
.461
1
34101
37
LEU
HG
.463
1
19042
100
LEU
HG
.464
1
15424
177
LEU
HG
.468
1
30303
17
LEU
HG
.468
.
15240
19
LEU
HG
.468
1
19530
79
LEU
HG
.469
.
5077
79
LEU
HG
.47
1
18673
62
LEU
HG
.47
1
6004
40
LEU
HG
.47
1
16325
24
LEU
HG
.47
1
5813
28
LEU
HG
.47
1
6047
126
LEU
HG
.47
1
10160
31
LEU
HG
.471
1
18416
31
LEU
HG
.471
.
36001
27
LEU
HG
.471
.
18290
72
LEU
HG
.471
1
10330
21
LEU
HG
.472
1
4969
81
LEU
HG
.472
1
19372
116
LEU
HG
.474
1
10057
68
LEU
HG
.474
1
19219
251
LEU
HG
.474
1
25870
27
LEU
HG
.475
1
6882
61
LEU
HG
.475
1
5328
74
LEU
HG
.477
1
7055
10
LEU
HG
.477
1
11011
28
LEU
HG
.477
1
15935
69
LEU
HG
.477
1
16305
4
LEU
HG
.477
1
11084
73
LEU
HG
.478
1
10121
22
LEU
HG
.478
1
18196
33
LEU
HG
.478
1
25239
164
LEU
HG
.479
1
16606
35
LEU
HG
.479
1
19710
26
LEU
HG
.479
1
18620
72
LEU
HG
.479
1
4217
9
LEU
HG
.48
1
15350
4
LEU
HG
.48
1
10149
112
LEU
HG
.48
1
6125
146
LEU
HG
.48
1
30139
19
LEU
HG
.48
1
18443
12
LEU
HG
.48
1
15669
11
LEU
HG
.48
1
19613
51
LEU
HG
.48
1
15085
33
LEU
HG
.481
1
16515
17
LEU
HG
.481
1
16058
245
LEU
HG
.483
1
25265
92
LEU
HG
.483
1
17467
105
LEU
HG
.4839
1
18487
30
LEU
HG
.484
1
6460
81
LEU
HG
.485
1
19436
97
LEU
HG
.488
1
17033
30
LEU
HG
.488
1
19221
71
LEU
HG
.489
1
6371
65
LEU
HG
.49
1
4524
66
LEU
HG
.49
1
25476
121
LEU
HG
.49
1
16774
86
LEU
HG
.49
1
4407
28
LEU
HG
.49
1
5578
117
LEU
HG
.49
.
11086
35
LEU
HG
.492
1
6331
13
LEU
HG
.492
1
11264
101
LEU
HG
.492
1
6331
70
LEU
HG
.492
1
7059
116
LEU
HG
.493
1
10320
41
LEU
HG
.493
1
19444
68
LEU
HG
.494
1
16997
15
LEU
HG
.494
1
10322
21
LEU
HG
.494
1
6551
20
LEU
HG
.494
.
6479
67
LEU
HG
.494
1
30098
10
LEU
HG
.495
1
10058
80
LEU
HG
.498
1
26618
16
LEU
HG
.498
1
4791
43
LEU
HG
.5
1
17524
21
LEU
HG
.5
1
4127
103
LEU
HG
.5
1
4561
7
LEU
HG
.5
1
4976
3
LEU
HG
.5
.
15483
94
LEU
HG
.5
1
25400
20
LEU
HG
.5
1
19689
144
LEU
HG
.501
1
25744
33
LEU
HG
.504
1
25499
41
LEU
HG
.504
1
25492
66
LEU
HG
.505
1
25492
10
LEU
HG
.505
1
19957
47
LEU
HG
.507
1
15246
81
LEU
HG
.508
1
6073
34
LEU
HG
.51
.
2282
29
LEU
HG
.51
1
27055
67
LEU
HG
.511
.
15246
109
LEU
HG
.511
1
17085
10
LEU
HG
.512
1
16305
54
LEU
HG
.513
1
16946
86
LEU
HG
.514
1
16746
115
LEU
HG
.516
1
25700
79
LEU
HG
.516
.
16713
97
LEU
HG
.516
1
7055
79
LEU
HG
.516
1
25767
134
LEU
HG
.52
.
7256
77
LEU
HG
.52
1
27078
68
LEU
HG
.52
1
5033
3
LEU
HG
.52
1
15034
54
LEU
HG
.52
1
4455
62
LEU
HG
.52
1
6331
32
LEU
HG
.52
1
30139
121
LEU
HG
.52
1
19906
10
LEU
HG
.52
1
16266
70
LEU
HG
.52
1
6363
59
LEU
HG
.52
1
30098
66
LEU
HG
.522
1
17085
66
LEU
HG
.522
1
17381
65
LEU
HG
.523
1
16305
87
LEU
HG
.525
1
18574
160
LEU
HG
.525
1
17369
88
LEU
HG
.525
1
11231
26
LEU
HG
.525
1
17523
12
LEU
HG
.525
1
4879
75
LEU
HG
0
1
4907
28
LEU
HG
0
1