LEU HG Chemical Shift Outliers

___________________________________________________
LEU HG Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
39565
1.505
-2.08
5.7
0.346


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11251
119
LEU
HG
2.548
1
6072
14
LEU
HG
2.55
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
5850
140
LEU
HG
2.586
1
6967
50
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
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
5745
50
LEU
HG
2.66
1
7089
125
LEU
HG
2.66
1
5809
83
LEU
HG
2.67
1
6826
26
LEU
HG
2.777
1
5809
83
LEU
HG
2.78
1
6967
56
LEU
HG
2.8
9
5018
87
LEU
HG
2.81
.
15280
40
LEU
HG
2.849
1
4589
86
LEU
HG
2.91
.
11298
23
LEU
HG
2.914
1
6629
4
LEU
HG
2.97
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
6230
88
LEU
HG
3.2
1
6230
88
LEU
HG
3.2
1
16443
36
LEU
HG
3.21
1
16443
80
LEU
HG
3.215
1
6147
32
LEU
HG
3.322
1
5461
26
LEU
HG
3.644
1
293
29
LEU
HG
3.9
1
5026
32
LEU
HG
4.09
.
4777
30
LEU
HG
4.25
1
17144
31
LEU
HG
4.35
1
6230
28
LEU
HG
4.38
2
6230
28
LEU
HG
4.41
2
5304
3
LEU
HG
4.74
1
5809
29
LEU
HG
4.75
1
5809
86
LEU
HG
4.9
1
5809
29
LEU
HG
5
1
5809
86
LEU
HG
5.07
1
1413
89
LEU
HG
5.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5943
71
LEU
HG
-.003
1
17250
252
LEU
HG
-.003
1
16353
14
LEU
HG
-.004
1
18238
90
LEU
HG
-.021
1
18388
142
LEU
HG
-.022
1
7092
6
LEU
HG
-.023
1
6012
63
LEU
HG
-.024
1
17278
94
LEU
HG
-.026
1
2868
86
LEU
HG
-.03
1
7310
98
LEU
HG
-.037
1
15332
80
LEU
HG
-.038
.
15355
80
LEU
HG
-.038
.
18142
39
LEU
HG
-.04
1
4681
118
LEU
HG
-.06
.
6658
157
LEU
HG
-.07
1
6883
55
LEU
HG
-.089
1
5828
68
LEU
HG
-.11
1
7414
48
LEU
HG
-.113
1
7414
70
LEU
HG
-.115
1
16169
61
LEU
HG
-.123
1
15578
220
LEU
HG
-.136
1
6688
125
LEU
HG
-.14
1
7125
86
LEU
HG
-.147
1
15765
5
LEU
HG
-.152
1
18155
73
LEU
HG
-.155
1
6439
33
LEU
HG
-.156
1
16171
61
LEU
HG
-.16
1
1207
23
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
.
19151
110
LEU
HG
-.212
.
16767
69
LEU
HG
-.218
1
16172
61
LEU
HG
-.22
1
4602
25
LEU
HG
-.22
1
16443
97
LEU
HG
-.224
1
17146
31
LEU
HG
-.23
1
6131
23
LEU
HG
-.232
1
6190
45
LEU
HG
-.233
.
15059
44
LEU
HG
-.234
1
17250
113
LEU
HG
-.24
1
15557
124
LEU
HG
-.24
1
19152
110
LEU
HG
-.241
.
975
63
LEU
HG
-.25
1
6966
31
LEU
HG
-.25
1
16490
6
LEU
HG
-.283
1
5280
69
LEU
HG
-.29
1
16285
71
LEU
HG
-.297
1
4471
30
LEU
HG
-.3
1
4786
27
LEU
HG
-.3
2
17481
149
LEU
HG
-.303
1
4964
63
LEU
HG
-.31
1
6868
114
LEU
HG
-.317
1
10106
71
LEU
HG
-.325
1
17942
48
LEU
HG
-.351
1
6125
22
LEU
HG
-.36
1
18787
15
LEU
HG
-.362
1
18919
30
LEU
HG
-.406
.
16463
39
LEU
HG
-.416
1
16276
73
LEU
HG
-.42
1
4829
55
LEU
HG
-.423
1
6337
29
LEU
HG
-.423
1
6292
30
LEU
HG
-.43
1
6921
27
LEU
HG
-.458
1
6004
75
LEU
HG
-.47
1
7121
139
LEU
HG
-.47
1
5365
68
LEU
HG
-.482
1
6921
36
LEU
HG
-.483
1
15922
98
LEU
HG
-.494
1
15059
166
LEU
HG
-.515
1
19297
70
LEU
HG
-.527
1
15048
137
LEU
HG
-.533
1
16278
73
LEU
HG
-.546
1
16372
82
LEU
HG
-.556
1
16270
75
LEU
HG
-.56
1
16329
98
LEU
HG
-.611
1
5745
27
LEU
HG
-.62
1
6310
98
LEU
HG
-.654
.
19151
148
LEU
HG
-.665
.
4038
58
LEU
HG
-.67
1
19152
148
LEU
HG
-.672
.
7180
9
LEU
HG
-.73
1
15961
125
LEU
HG
-.762
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
15961
37
LEU
HG
-1
1
2066
63
LEU
HG
-1
1
5398
171
LEU
HG
-1.034
1
5668
171
LEU
HG
-1.034
1
2067
63
LEU
HG
-1.06
1
6921
29
LEU
HG
-1.954
1
5745
29
LEU
HG
-2.08
1
6331
39
LEU
HG
.006
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
15793
73
LEU
HG
.025
1
6578
90
LEU
HG
.025
1
18388
140
LEU
HG
.029
1
17166
18
LEU
HG
.043
1
7121
158
LEU
HG
.06
1
5578
20
LEU
HG
.06
.
5328
30
LEU
HG
.064
1
16613
164
LEU
HG
.065
1
15932
135
LEU
HG
.07
1
5343
35
LEU
HG
.07
1
6782
111
LEU
HG
.07
1
4553
80
LEU
HG
.07
1
291
104
LEU
HG
.07
1
6888
35
LEU
HG
.071
1
5567
51
LEU
HG
.08
1
1889
232
LEU
HG
.08
1
337
27
LEU
HG
.08
1
16195
101
LEU
HG
.08
1
17670
37
LEU
HG
.089
1
17358
60
LEU
HG
.09
1
6372
65
LEU
HG
.09
1
6331
103
LEU
HG
.096
1
4786
74
LEU
HG
.1
2
16339
19
LEU
HG
.1
1
17493
136
LEU
HG
.1
1
6658
88
LEU
HG
.101
1
6241
155
LEU
HG
.104
1
5165
69
LEU
HG
.105
1
16712
97
LEU
HG
.107
1
18533
30
LEU
HG
.11
1
10328
21
LEU
HG
.113
1
18346
10
LEU
HG
.12
1
4661
86
LEU
HG
.12
1
11303
13
LEU
HG
.125
1
15369
141
LEU
HG
.128
1
4027
62
LEU
HG
.13
1
15540
78
LEU
HG
.137
1
16270
121
LEU
HG
.14
1
3442
86
LEU
HG
.14
1
6971
26
LEU
HG
.14
1
11223
64
LEU
HG
.143
1
10253
38
LEU
HG
.144
1
5779
94
LEU
HG
.146
1
18434
16
LEU
HG
.147
1
11296
13
LEU
HG
.15
1
4330
41
LEU
HG
.15
.
7020
39
LEU
HG
.154
1
16463
79
LEU
HG
.159
1
16936
51
LEU
HG
.159
1
5012
30
LEU
HG
.16
1
18511
53
LEU
HG
.164
1
10254
10
LEU
HG
.169
1
4879
121
LEU
HG
.17
2
5104
14
LEU
HG
.17
1
16072
14
LEU
HG
.17
1
15373
25
LEU
HG
.17
1
16712
100
LEU
HG
.176
1
5805
45
LEU
HG
.18
1
6134
53
LEU
HG
.18
1
11426
73
LEU
HG
.181
1
10143
31
LEU
HG
.181
1
15324
63
LEU
HG
.182
1
294
44
LEU
HG
.19
1
17021
120
LEU
HG
.192
1
18228
65
LEU
HG
.197
1
4808
44
LEU
HG
.2
1
4809
44
LEU
HG
.2
1
4681
24
LEU
HG
.2
.
6888
22
LEU
HG
.202
1
7113
64
LEU
HG
.202
1
15120
135
LEU
HG
.2039
.
6460
141
LEU
HG
.204
1
7106
19
LEU
HG
.206
1
10312
38
LEU
HG
.207
1
17066
70
LEU
HG
.209
1
4804
44
LEU
HG
.21
1
5842
72
LEU
HG
.21
1
4803
44
LEU
HG
.21
1
17278
98
LEU
HG
.213
1
6475
117
LEU
HG
.215
1
5343
22
LEU
HG
.22
1
5100
31
LEU
HG
.22
1
17418
148
LEU
HG
.22
.
5579
20
LEU
HG
.22
.
5492
44
LEU
HG
.22
1
16605
7
LEU
HG
.227
1
6644
105
LEU
HG
.23
1
228
41
LEU
HG
.23
1
18613
168
LEU
HG
.23
1
5628
77
LEU
HG
.23
1
5100
31
LEU
HG
.23
1
4036
13
LEU
HG
.23
1
4259
44
LEU
HG
.23
1
6658
171
LEU
HG
.231
1
16810
71
LEU
HG
.234
1
4683
136
LEU
HG
.235
1
15835
131
LEU
HG
.238
1
18211
66
LEU
HG
.239
1
17632
101
LEU
HG
.239
1
6613
57
LEU
HG
.239
1
1204
89
LEU
HG
.24
1
16002
28
LEU
HG
.24
1
5929
116
LEU
HG
.24
1
10082
72
LEU
HG
.241
1
6636
5
LEU
HG
.242
1
6613
159
LEU
HG
.244
1
16189
85
LEU
HG
.246
1
19151
123
LEU
HG
.246
.
19423
100
LEU
HG
.25
1
5091
46
LEU
HG
.25
1
4130
46
LEU
HG
.25
.
16913
86
LEU
HG
.25
1
5077
94
LEU
HG
.25
1
4131
46
LEU
HG
.25
.
16248
94
LEU
HG
.252
1
17637
35
LEU
HG
.253
1
18761
113
LEU
HG
.255
1
6043
68
LEU
HG
.25573
1
7009
30
LEU
HG
.257
.
18967
13
LEU
HG
.259
1
18375
59
LEU
HG
.26
1
16195
79
LEU
HG
.262
1
15483
86
LEU
HG
.264
1
19152
123
LEU
HG
.268
.
17923
6
LEU
HG
.269
1
15591
29
LEU
HG
.269
1
7063
109
LEU
HG
.276
1
17636
57
LEU
HG
.277
1
5820
94
LEU
HG
.278
.
18533
150
LEU
HG
.28
1
6369
133
LEU
HG
.28
1
6333
21
LEU
HG
.28
1
16879
109
LEU
HG
.28
1
19297
43
LEU
HG
.284
1
18013
89
LEU
HG
.289
1
4448
109
LEU
HG
.29
1
4038
141
LEU
HG
.29
1
16039
80
LEU
HG
.291
1
17136
43
LEU
HG
.293
1
4068
48
LEU
HG
.3
1
1203
89
LEU
HG
.3
1
6001
139
LEU
HG
.3
1
17405
9
LEU
HG
.301
1
17124
94
LEU
HG
.302
1
10146
21
LEU
HG
.303
1
6401
31
LEU
HG
.304
1
7125
141
LEU
HG
.305
1
15111
42
LEU
HG
.305
.
15280
69
LEU
HG
.306
1
6049
78
LEU
HG
.307
.
17173
63
LEU
HG
.308
1
10114
14
LEU
HG
.308
1
17911
85
LEU
HG
.309
1
5233
99
LEU
HG
.31
1
4202
38
LEU
HG
.31
1
4342
112
LEU
HG
.31
1
2006
141
LEU
HG
.31
1
7180
4
LEU
HG
.31
1
15358
22
LEU
HG
.313
1
7364
64
LEU
HG
.314
1
17226
98
LEU
HG
.315
1
11011
128
LEU
HG
.315
1
16118
80
LEU
HG
.32
1
17085
14
LEU
HG
.327
1
16058
160
LEU
HG
.328
1
15330
22
LEU
HG
.328
1
16262
93
LEU
HG
.329
1
4288
30
LEU
HG
.33
1
6454
99
LEU
HG
.33
1
5225
20
LEU
HG
.33
1
18673
92
LEU
HG
.33
1
6841
28
LEU
HG
.331
.
5711
72
LEU
HG
.331
1
10089
132
LEU
HG
.333
1
15581
120
LEU
HG
.336
1
17311
62
LEU
HG
.338
1
5233
82
LEU
HG
.34
1
7115
134
LEU
HG
.34
1
7256
62
LEU
HG
.34
1
1102
141
LEU
HG
.34
1
16043
138
LEU
HG
.342
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
6054
17
LEU
HG
.35
1
6640
18
LEU
HG
.35
1
18255
69
LEU
HG
.35
1
16912
61
LEU
HG
.351
1
16635
61
LEU
HG
.351
1
16635
77
LEU
HG
.352
1
16379
102
LEU
HG
.354
1
15369
109
LEU
HG
.354
1
6563
9
LEU
HG
.354
1
16248
136
LEU
HG
.356
1
6310
122
LEU
HG
.357
.
4925
17
LEU
HG
.358
1
15128
19
LEU
HG
.358
1
15932
216
LEU
HG
.358
1
6972
82
LEU
HG
.36
1
16517
25
LEU
HG
.36
1
6640
98
LEU
HG
.36
1
15097
26
LEU
HG
.36
2
18152
117
LEU
HG
.361
1
16273
80
LEU
HG
.362
.
15932
212
LEU
HG
.363
1
6876
27
LEU
HG
.366
1
15525
70
LEU
HG
.367
1
16912
77
LEU
HG
.367
1
15803
70
LEU
HG
.367
1
2224
84
LEU
HG
.37
1
4696
7
LEU
HG
.37
1
15722
98
LEU
HG
.3722
1
17904
37
LEU
HG
.374
.
11497
51
LEU
HG
.376
1
16719
61
LEU
HG
.38
1
17235
71
LEU
HG
.38
1
5628
107
LEU
HG
.38
1
131
37
LEU
HG
.38
1
11270
49
LEU
HG
.38
1
5011
141
LEU
HG
.38
1
6911
99
LEU
HG
.382
1
5947
140
LEU
HG
.382
1
15407
33
LEU
HG
.384
1
17412
80
LEU
HG
.384
1
18416
18
LEU
HG
.389
.
6971
74
LEU
HG
.39
1
7115
62
LEU
HG
.39
1
16571
29
LEU
HG
.39
1
6369
39
LEU
HG
.39
1
17767
118
LEU
HG
.39
1
16936
13
LEU
HG
.3902
1
15922
122
LEU
HG
.392
1
17374
88
LEU
HG
.394
.
6882
21
LEU
HG
.396
1
16058
57
LEU
HG
.398
1
17750
70
LEU
HG
.398
1
16329
72
LEU
HG
.399
1
18211
129
LEU
HG
.4
1
6046
55
LEU
HG
.4
1
229
38
LEU
HG
.4
1
5026
35
LEU
HG
.4
.
17021
77
LEU
HG
.402
1
6439
76
LEU
HG
.402
1
5263
143
LEU
HG
.404
.
6837
138
LEU
HG
.405
.
18489
24
LEU
HG
.407
1
6645
118
LEU
HG
.41
1
1580
141
LEU
HG
.41
1
4991
48
LEU
HG
.41
1
5827
32
LEU
HG
.41
1
4681
120
LEU
HG
.41
.
7055
125
LEU
HG
.41
1
16380
93
LEU
HG
.416
1
5221
99
LEU
HG
.416
1
10323
21
LEU
HG
.416
1
15932
41
LEU
HG
.418
1
17608
136
LEU
HG
.418
1
7118
21
LEU
HG
.418
.
7178
77
LEU
HG
.42
1
345
37
LEU
HG
.42
1
4679
151
LEU
HG
.42
.
922
37
LEU
HG
.42
1
18235
97
LEU
HG
.42
1
5513
11
LEU
HG
.421
1
10047
63
LEU
HG
.421
1
18011
126
LEU
HG
.423
1
18214
59
LEU
HG
.424
1
6479
46
LEU
HG
.424
1
16846
38
LEU
HG
.424
1
7019
28
LEU
HG
.426
1
18346
43
LEU
HG
.426
1
15355
41
LEU
HG
.427
.
5846
72
LEU
HG
.43
1
6053
17
LEU
HG
.43
1
11348
150
LEU
HG
.432
1
6762
5
LEU
HG
.433
.
18019
5
LEU
HG
.433
1
6762
5
LEU
HG
.433
.
6794
21
LEU
HG
.435
1
10334
21
LEU
HG
.437
1
17777
23
LEU
HG
.438
1
18944
22
LEU
HG
.439
1
5969
45
LEU
HG
.44
1
11011
96
LEU
HG
.44
1
4186
119
LEU
HG
.44
1
15120
21
LEU
HG
.44
.
5828
64
LEU
HG
.44
1
4340
119
LEU
HG
.44
1
6331
51
LEU
HG
.443
1
15369
102
LEU
HG
.444
1
17085
122
LEU
HG
.444
1
16992
83
LEU
HG
.445
1
4821
50
LEU
HG
.445
1
17319
106
LEU
HG
.449
1
4070
82
LEU
HG
.45
1
4368
37
LEU
HG
.45
1
4726
67
LEU
HG
.45
.
4559
29
LEU
HG
.45
.
17033
17
LEU
HG
.45
1
15914
51
LEU
HG
.451
1
18432
45
LEU
HG
.454
.
16258
107
LEU
HG
.455
1
18624
38
LEU
HG
.456
1
18761
15
LEU
HG
.458
1
5396
62
LEU
HG
.458
1
17170
22
LEU
HG
.458
1
10080
64
LEU
HG
.458
1
10333
27
LEU
HG
.458
1
18733
14
LEU
HG
.459
1
16278
145
LEU
HG
.46
1
1720
37
LEU
HG
.46
1
6755
67
LEU
HG
.46
1
4127
124
LEU
HG
.46
1
19069
56
LEU
HG
.46
1
5232
162
LEU
HG
.46
1
6075
9
LEU
HG
.46
1
5813
96
LEU
HG
.461
1
17496
103
LEU
HG
.463
1
19042
100
LEU
HG
.464
1
4907
28
LEU
HG
0
1
4879
75
LEU
HG
0
1