LEU HB3 Chemical Shift Outliers

___________________________________________________
LEU HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
30723
1.519
-1.47
3.184
0.362


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16883
13
LEU
HB3
2.616
2
15120
108
LEU
HB3
2.62
.
10145
97
LEU
HB3
2.62
2
17212
29
LEU
HB3
2.621
2
5544
11
LEU
HB3
2.63
.
5377
10
LEU
HB3
2.64
2
16018
64
LEU
HB3
2.652
1
7089
127
LEU
HB3
2.66
2
1208
68
LEU
HB3
2.66
1
7020
144
LEU
HB3
2.672
2
6829
31
LEU
HB3
2.677
2
16498
36
LEU
HB3
2.68
2
18329
4
LEU
HB3
2.69
2
17278
114
LEU
HB3
2.697
2
18504
97
LEU
HB3
2.7
1
4825
12
LEU
HB3
2.71
2
6583
82
LEU
HB3
2.72
1
18504
102
LEU
HB3
2.726
1
5701
73
LEU
HB3
2.73
2
15296
37
LEU
HB3
2.73
1
6586
80
LEU
HB3
2.732
1
11298
32
LEU
HB3
2.742
2
5780
73
LEU
HB3
2.77
1
5627
204
LEU
HB3
2.77
2
18435
97
LEU
HB3
2.77
2
6372
65
LEU
HB3
2.8
1
15750
48
LEU
HB3
2.8
2
17717
100
LEU
HB3
2.805
2
18228
179
LEU
HB3
2.811
2
18504
105
LEU
HB3
2.843
1
6532
79
LEU
HB3
2.892
.
4210
14
LEU
HB3
2.91
1
15348
16
LEU
HB3
2.917
2
5141
4
LEU
HB3
2.94
1
15807
87
LEU
HB3
2.954
2
11298
29
LEU
HB3
2.97
2
17717
113
LEU
HB3
2.976
2
7189
31
LEU
HB3
2.996
1
4589
86
LEU
HB3
3.07
.
6147
57
LEU
HB3
3.072
1
17260
50
LEU
HB3
3.097
2
4821
144
LEU
HB3
3.108
1
6089
69
LEU
HB3
3.184
9


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7271
139
LEU
HB3
-.001
2
10068
46
LEU
HB3
-.002
2
6476
52
LEU
HB3
-.002
2
2151
24
LEU
HB3
-.01
1
15554
50
LEU
HB3
-.014
2
16007
108
LEU
HB3
-.024
2
6475
93
LEU
HB3
-.024
2
18654
15
LEU
HB3
-.03
.
5774
32
LEU
HB3
-.03
2
4333
57
LEU
HB3
-.035
2
17320
11
LEU
HB3
-.035
2
18166
68
LEU
HB3
-.06
2
4757
39
LEU
HB3
-.06
1
16058
187
LEU
HB3
-.061
2
18711
24
LEU
HB3
-.066
2
18632
112
LEU
HB3
-.068
2
18632
112
LEU
HB3
-.068
2
6929
75
LEU
HB3
-.074
1
17020
60
LEU
HB3
-.08
2
16912
61
LEU
HB3
-.084
2
17021
120
LEU
HB3
-.091
2
6080
114
LEU
HB3
-.093
1
4884
70
LEU
HB3
-.1
1
11229
67
LEU
HB3
-.101
2
10280
84
LEU
HB3
-.101
2
5578
115
LEU
HB3
-.11
.
17968
52
LEU
HB3
-.11
2
6884
45
LEU
HB3
-.11
2
6125
22
LEU
HB3
-.11
2
15700
52
LEU
HB3
-.11
2
16385
65
LEU
HB3
-.111
2
16992
73
LEU
HB3
-.118
1
11199
80
LEU
HB3
-.124
2
16992
83
LEU
HB3
-.129
1
17029
14
LEU
HB3
-.131
2
17388
73
LEU
HB3
-.144
2
10046
102
LEU
HB3
-.145
2
11235
96
LEU
HB3
-.151
2
18511
16
LEU
HB3
-.155
2
17071
22
LEU
HB3
-.16
2
16571
29
LEU
HB3
-.16
2
11333
51
LEU
HB3
-.166
2
15740
53
LEU
HB3
-.168
1
18464
142
LEU
HB3
-.168
2
6709
43
LEU
HB3
-.168
1
11229
30
LEU
HB3
-.173
2
16384
58
LEU
HB3
-.18
2
17031
120
LEU
HB3
-.18
2
17967
52
LEU
HB3
-.18
2
11203
111
LEU
HB3
-.182
2
17105
76
LEU
HB3
-.187
2
11293
68
LEU
HB3
-.188
2
5072
46
LEU
HB3
-.197
2
4637
20
LEU
HB3
-.21
4
15090
60
LEU
HB3
-.229
1
19398
60
LEU
HB3
-.229
2
15373
25
LEU
HB3
-.27
2
18046
3
LEU
HB3
-.27
2
16992
29
LEU
HB3
-.283
1
4445
29
LEU
HB3
-.287
1
4445
29
LEU
HB3
-.29
1
7310
39
LEU
HB3
-.291
2
18563
26
LEU
HB3
-.294
1
4351
18
LEU
HB3
-.315
2
4971
16
LEU
HB3
-.32
2
15893
55
LEU
HB3
-.328
2
11507
8
LEU
HB3
-.333
1
11084
48
LEU
HB3
-.335
2
10049
78
LEU
HB3
-.345
2
18954
90
LEU
HB3
-.345
1
17523
101
LEU
HB3
-.353
2
6197
41
LEU
HB3
-.368
2
16219
16
LEU
HB3
-.369
2
19049
21
LEU
HB3
-.37
2
18837
94
LEU
HB3
-.382
2
5628
77
LEU
HB3
-.4
2
5364
39
LEU
HB3
-.42
2
5211
98
LEU
HB3
-.426
.
6693
67
LEU
HB3
-.428
2
6189
30
LEU
HB3
-.435
1
18364
88
LEU
HB3
-.457
2
16679
71
LEU
HB3
-.457
2
5455
117
LEU
HB3
-.46
2
17132
39
LEU
HB3
-.464
2
16267
67
LEU
HB3
-.466
1
15893
30
LEU
HB3
-.467
2
6314
69
LEU
HB3
-.47
1
6766
45
LEU
HB3
-.475
1
17521
186
LEU
HB3
-.49
2
18622
69
LEU
HB3
-.54
2
10254
86
LEU
HB3
-.557
2
11296
13
LEU
HB3
-.562
2
11303
13
LEU
HB3
-.585
2
15334
5
LEU
HB3
-.594
2
15926
87
LEU
HB3
-.598
1
18561
5
LEU
HB3
-.612
2
7203
17
LEU
HB3
-.62
.
18623
69
LEU
HB3
-.636
2
16052
16
LEU
HB3
-.648
2
15386
45
LEU
HB3
-.659
2
6973
89
LEU
HB3
-.67
.
18161
5
LEU
HB3
-.698
2
4121
18
LEU
HB3
-.7
1
4340
119
LEU
HB3
-.71
1
15512
67
LEU
HB3
-.719
2
17959
96
LEU
HB3
-.723
2
17447
133
LEU
HB3
-.723
2
16912
77
LEU
HB3
-.732
2
17484
19
LEU
HB3
-.755
2
18511
53
LEU
HB3
-.762
2
18158
55
LEU
HB3
-.77
2
6640
98
LEU
HB3
-.77
2
17828
79
LEU
HB3
-.78
2
17104
63
LEU
HB3
-.811
2
15537
5
LEU
HB3
-.816
2
5784
24
LEU
HB3
-.823
2
17320
61
LEU
HB3
-.825
2
5169
24
LEU
HB3
-.826
1
15480
24
LEU
HB3
-.83
2
17165
24
LEU
HB3
-.839
1
6015
84
LEU
HB3
-.839
2
11232
72
LEU
HB3
-.842
2
16117
5
LEU
HB3
-.842
2
16782
54
LEU
HB3
-.85
2
4969
81
LEU
HB3
-.87
2
5606
55
LEU
HB3
-.87
1
6004
75
LEU
HB3
-.88
2
10256
17
LEU
HB3
-.896
2
6760
66
LEU
HB3
-.92
2
6621
59
LEU
HB3
-.93
2
6868
114
LEU
HB3
-.939
1
15325
49
LEU
HB3
-.98
.
17841
5
LEU
HB3
-1.001
2
6367
37
LEU
HB3
-1.02
1
18563
63
LEU
HB3
-1.021
2
11221
74
LEU
HB3
-1.023
2
17407
16
LEU
HB3
-1.024
2
5349
17
LEU
HB3
-1.03
2
16103
82
LEU
HB3
-1.062
2
16882
5
LEU
HB3
-1.115
2
11230
65
LEU
HB3
-1.117
2
6201
63
LEU
HB3
-1.129
2
6201
63
LEU
HB3
-1.133
2
4109
64
LEU
HB3
-1.161
2
16929
41
LEU
HB3
-1.181
2
16231
9
LEU
HB3
-1.182
1
15204
70
LEU
HB3
-1.2
1
18531
5
LEU
HB3
-1.2
2
10009
44
LEU
HB3
-1.202
2
18015
18
LEU
HB3
-1.204
2
11223
64
LEU
HB3
-1.208
2
1037
17
LEU
HB3
-1.21
1
10281
22
LEU
HB3
-1.225
2
16958
5
LEU
HB3
-1.242
2
16252
22
LEU
HB3
-1.288
2
17405
9
LEU
HB3
-1.339
2
11402
36
LEU
HB3
-1.411
2
11236
66
LEU
HB3
-1.452
2
17050
45
LEU
HB3
-1.47
2
17239
33
LEU
HB3
.004
2
10316
84
LEU
HB3
.008
2
15793
63
LEU
HB3
.03
2
6973
99
LEU
HB3
.03
.
4782
75
LEU
HB3
.04
2
16632
39
LEU
HB3
.045
2
11033
42
LEU
HB3
.045
2
5061
25
LEU
HB3
.05
2
11282
39
LEU
HB3
.055
2
11124
48
LEU
HB3
.056
2
7063
12
LEU
HB3
.057
2
19251
35
LEU
HB3
.0583
2
16629
50
LEU
HB3
.059
2
5505
59
LEU
HB3
.06
2
16632
39
LEU
HB3
.065
2
17104
45
LEU
HB3
.071
2
17735
67
LEU
HB3
.071
2
17238
33
LEU
HB3
.072
2
11231
26
LEU
HB3
.074
2
17289
148
LEU
HB3
.075
2
17352
105
LEU
HB3
.08
.
15055
42
LEU
HB3
.08
2
6004
128
LEU
HB3
.08
2
11032
40
LEU
HB3
.083
2
16370
75
LEU
HB3
.086
2
18734
48
LEU
HB3
.087
1
6982
56
LEU
HB3
.088
2
15687
34
LEU
HB3
.088
2
15746
19
LEU
HB3
.091
2
11292
87
LEU
HB3
.097
2
18152
117
LEU
HB3
.098
2
5751
141
LEU
HB3
.099
1
4701
32
LEU
HB3
.1
2
16997
15
LEU
HB3
.1
2
6310
98
LEU
HB3
.101
.
17364
19
LEU
HB3
.103
2
18419
73
LEU
HB3
.104
2
17965
38
LEU
HB3
.106
2
6644
140
LEU
HB3
.11
2
6973
96
LEU
HB3
.11
.
1205
29
LEU
HB3
.11
1
18046
26
LEU
HB3
.114
2
11088
93
LEU
HB3
.117
2
16176
21
LEU
HB3
.11725
1
16608
15
LEU
HB3
.118
2
15661
38
LEU
HB3
.125
2
11090
114
LEU
HB3
.13
2
15097
26
LEU
HB3
.13
2
6868
77
LEU
HB3
.131
1
17368
106
LEU
HB3
.137
2
5692
62
LEU
HB3
.14
2
6751
86
LEU
HB3
.142
2
11301
46
LEU
HB3
.142
2
15324
57
LEU
HB3
.145
2
10288
21
LEU
HB3
.153
2
11141
50
LEU
HB3
.155
2
16606
35
LEU
HB3
.156
2
6363
59
LEU
HB3
.16
2
16380
53
LEU
HB3
.164
2
11338
94
LEU
HB3
.168
2
17285
25
LEU
HB3
.168
2
18489
24
LEU
HB3
.174
2
18987
93
LEU
HB3
.177
2
15324
63
LEU
HB3
.177
2
5751
144
LEU
HB3
.178
1
5131
96
LEU
HB3
.189
2
15020
14
LEU
HB3
.189
2
4472
66
LEU
HB3
.19
2
5309
65
LEU
HB3
.2
2
15111
42
LEU
HB3
.208
.
16832
146
LEU
HB3
.21
.
11130
21
LEU
HB3
.217
2
10264
119
LEU
HB3
.218
2
4516
89
LEU
HB3
.22
2
4109
64
LEU
HB3
.224
1
11246
95
LEU
HB3
.227
2
4673
108
LEU
HB3
.23
2
4217
17
LEU
HB3
.23
1
15374
33
LEU
HB3
.231
2
10256
81
LEU
HB3
.233
2
17741
15
LEU
HB3
.235
2
4455
62
LEU
HB3
.24
2
18320
96
LEU
HB3
.243
2
7310
122
LEU
HB3
.244
2
15377
39
LEU
HB3
.247
.
17742
15
LEU
HB3
.249
2
4943
17
LEU
HB3
.25
2
16007
5
LEU
HB3
.25
2
16721
34
LEU
HB3
.253
2
17524
34
LEU
HB3
.258
2
16231
42
LEU
HB3
.258
1
18145
68
LEU
HB3
.259
2
6885
34
LEU
HB3
.26
2
5068
18
LEU
HB3
.26
2
7160
17
LEU
HB3
.26
.
16144
120
LEU
HB3
.26
2
15679
65
LEU
HB3
.265
1
7310
98
LEU
HB3
.265
2
19013
114
LEU
HB3
.266
2
6475
117
LEU
HB3
.268
2
3441
17
LEU
HB3
.27
2
5803
18
LEU
HB3
.27
2
11129
45
LEU
HB3
.271
2
18908
47
LEU
HB3
.272
2
10029
92
LEU
HB3
.274
2
18142
39
LEU
HB3
.279
2
6644
159
LEU
HB3
.28
2
4848
31
LEU
HB3
.28
.
4943
17
LEU
HB3
.28
2
4109
64
LEU
HB3
.281
1
16970
9
LEU
HB3
.281
2
7063
109
LEU
HB3
.282
2
18214
59
LEU
HB3
.282
2
11259
46
LEU
HB3
.288
2
4112
42
LEU
HB3
.29
1
4248
66
LEU
HB3
.29
1
5804
18
LEU
HB3
.29
2
16614
102
LEU
HB3
.29
2
5991
118
LEU
HB3
.297
2
5033
3
LEU
HB3
.3
1
17729
36
LEU
HB3
.301
2
7059
116
LEU
HB3
.304
2
17551
108
LEU
HB3
.306
2
6824
18
LEU
HB3
.309
1
5280
69
LEU
HB3
.31
1
4976
3
LEU
HB3
.31
.
15553
20
LEU
HB3
.31
1
6454
106
LEU
HB3
.31
2
6204
15
LEU
HB3
.31
2
18249
75
LEU
HB3
.311
2
18487
30
LEU
HB3
.311
2
18411
28
LEU
HB3
.311
2
11209
23
LEU
HB3
.313
2
18155
73
LEU
HB3
.316
2
4173
163
LEU
HB3
.32
2
5100
100
LEU
HB3
.32
2
6988
88
LEU
HB3
.321
2
5943
71
LEU
HB3
.321
1
17250
252
LEU
HB3
.321
2
10004
17
LEU
HB3
.323
1
6960
18
LEU
HB3
.327
.
4081
130
LEU
HB3
.33
1
1093
17
LEU
HB3
.33
1
4206
60
LEU
HB3
.33
2
18016
95
LEU
HB3
.33
2
10271
64
LEU
HB3
.333
2
17137
101
LEU
HB3
.335
2
16912
15
LEU
HB3
.338
2
10073
96
LEU
HB3
.34
2
16607
96
LEU
HB3
.34
2
5696
76
LEU
HB3
.34
2
5100
100
LEU
HB3
.34
2
5568
43
LEU
HB3
.34
2
6284
31
LEU
HB3
.34
1
10241
52
LEU
HB3
.342
2
6507
18
LEU
HB3
.345
.
17250
17
LEU
HB3
.35
2
6415
18
LEU
HB3
.35
2
4636
75
LEU
HB3
.35
.
15557
81
LEU
HB3
.35
2
17293
146
LEU
HB3
.353
2
11276
55
LEU
HB3
.353
2
16463
79
LEU
HB3
.354
2
6794
21
LEU
HB3
.354
2
10259
90
LEU
HB3
.356
2
15020
138
LEU
HB3
.357
2
17711
86
LEU
HB3
.3592
2
6231
68
LEU
HB3
.36
2
10060
19
LEU
HB3
.361
2
6866
91
LEU
HB3
.362
2
2224
84
LEU
HB3
.37
1
17085
10
LEU
HB3
.37
2
15211
98
LEU
HB3
.37
2
18473
126
LEU
HB3
.372
2
10114
14
LEU
HB3
.374
2
17169
79
LEU
HB3
.375
2
16329
86
LEU
HB3
.377
2
11018
11
LEU
HB3
.38
2
7102
34
LEU
HB3
.38
2
5065
73
LEU
HB3
.38
2
18158
66
LEU
HB3
.38
2
19000
72
LEU
HB3
.381
2
6241
33
LEU
HB3
.382
1
17280
98
LEU
HB3
.384
2
10058
8
LEU
HB3
.386
2
18679
41
LEU
HB3
.387
1
15603
68
LEU
HB3
.387
2
7242
212
LEU
HB3
.389
2
18389
167
LEU
HB3
.389
2
16155
77
LEU
HB3
.39
2
18053
48
LEU
HB3
.39
2
5106
18
LEU
HB3
.39
2
4342
94
LEU
HB3
.39
2
1496
7
LEU
HB3
.39
2
10240
23
LEU
HB3
.391
2
16490
6
LEU
HB3
.397
2
15534
42
LEU
HB3
.399
2
6244
110
LEU
HB3
.4
2
10131
100
LEU
HB3
.4
2
18533
150
LEU
HB3
.4
2
6807
280
LEU
HB3
.402
1
18539
48
LEU
HB3
.405
1
17191
44
LEU
HB3
.407
2
6738
67
LEU
HB3
.408
2
11145
85
LEU
HB3
.409
2
4049
91
LEU
HB3
.41
2
6196
72
LEU
HB3
.41
.
4849
10
LEU
HB3
.41
2
17838
93
LEU
HB3
.41
2
10274
65
LEU
HB3
.413
2
16096
81
LEU
HB3
.416
2
11237
70
LEU
HB3
.419
2
395
12
LEU
HB3
.42
1
6876
27
LEU
HB3
.421
2
15154
23
LEU
HB3
.422
2
11308
19
LEU
HB3
.423
2
10273
57
LEU
HB3
.424
2
11204
103
LEU
HB3
.427
2
15204
103
LEU
HB3
.428
1
10316
99
LEU
HB3
.428
2
16373
37
LEU
HB3
.429
2
4296
45
LEU
HB3
.43
2
19042
126
LEU
HB3
.43
2
5222
49
LEU
HB3
.43
2
5846
43
LEU
HB3
.43
2
10247
52
LEU
HB3
.431
2
10268
67
LEU
HB3
.432
2