LYS HB3 Chemical Shift Outliers

___________________________________________________
LYS HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
25026
1.747
-.72
3.95
0.267


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11298
34
LYS
HB3
2.552
2
6526
110
LYS
HB3
2.57
2
16018
80
LYS
HB3
2.57
2
16116
28
LYS
HB3
2.584
1
11298
11
LYS
HB3
2.584
2
4593
43
LYS
HB3
2.597
2
16445
2
LYS
HB3
2.598
1
7220
53
LYS
HB3
2.61
2
5678
123
LYS
HB3
2.62
1
5678
94
LYS
HB3
2.63
1
4948
52
LYS
HB3
2.63
2
11298
14
LYS
HB3
2.649
1
4271
115
LYS
HB3
2.68
1
11255
115
LYS
HB3
2.69
2
15354
23
LYS
HB3
2.702
2
7064
30
LYS
HB3
2.702
1
7064
14
LYS
HB3
2.708
1
18111
18
LYS
HB3
2.71
2
6826
31
LYS
HB3
2.716
2
7064
12
LYS
HB3
2.717
1
17642
6
LYS
HB3
2.7591
2
5233
69
LYS
HB3
2.78
1
4891
48
LYS
HB3
2.782
1
21008
7
LYS
HB3
2.782
2
4797
125
LYS
HB3
2.79
2
4727
27
LYS
HB3
2.85
9
5970
88
LYS
HB3
2.851
2
16679
172
LYS
HB3
2.855
2
11164
20
LYS
HB3
2.893
2
18663
187
LYS
HB3
2.927
2
17512
22
LYS
HB3
3.06
.
16694
71
LYS
HB3
3.113
2
9
13
LYS
HB3
3.19
2
5324
98
LYS
HB3
3.548
2
63
47
LYS
HB3
3.77
1
17799
23
LYS
HB3
3.814
2
17806
1
LYS
HB3
3.819
2
4462
25
LYS
HB3
3.9
2
4044
10
LYS
HB3
3.95
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10004
163
LYS
HB3
-.004
2
15823
11
LYS
HB3
-.039
2
5349
56
LYS
HB3
-.06
2
15943
23
LYS
HB3
-.07
2
15829
68
LYS
HB3
-.079
2
4305
90
LYS
HB3
-.08
2
16840
69
LYS
HB3
-.131
2
17687
61
LYS
HB3
-.155
2
10114
17
LYS
HB3
-.196
2
7159
116
LYS
HB3
-.22
.
5069
117
LYS
HB3
-.22
2
5803
117
LYS
HB3
-.23
2
5807
97
LYS
HB3
-.24
2
5804
117
LYS
HB3
-.24
2
5068
117
LYS
HB3
-.24
2
16315
18
LYS
HB3
-.24
2
7160
116
LYS
HB3
-.24
.
11080
11
LYS
HB3
-.245
2
17260
221
LYS
HB3
-.266
1
16629
140
LYS
HB3
-.266
2
6454
74
LYS
HB3
-.3
2
5659
174
LYS
HB3
-.3
2
15061
41
LYS
HB3
-.322
2
17523
153
LYS
HB3
-.347
2
4101
168
LYS
HB3
-.37
2
17816
22
LYS
HB3
-.373
1
15280
30
LYS
HB3
-.409
1
6238
46
LYS
HB3
-.449
1
4163
37
LYS
HB3
-.55
1
6241
125
LYS
HB3
-.584
1
11107
29
LYS
HB3
-.661
2
18125
112
LYS
HB3
-.72
2
16283
77
LYS
HB3
.026
2
17633
28
LYS
HB3
.029
2
16272
77
LYS
HB3
.03
2
6159
37
LYS
HB3
.036
2
5077
48
LYS
HB3
.04
2
11213
47
LYS
HB3
.046
2
17825
45
LYS
HB3
.051
2
16992
128
LYS
HB3
.081
1
17233
78
LYS
HB3
.088
2
16832
157
LYS
HB3
.09
.
6004
96
LYS
HB3
.1
2
4920
68
LYS
HB3
.102
1
17277
49
LYS
HB3
.102
2
16163
72
LYS
HB3
.104
1
11507
145
LYS
HB3
.118
1
4878
27
LYS
HB3
.12
2
18909
31
LYS
HB3
.122
2
4779
89
LYS
HB3
.13
2
16030
27
LYS
HB3
.13
2
15377
56
LYS
HB3
.133
.
15694
61
LYS
HB3
.14
2
2049
32
LYS
HB3
.143
2
16977
107
LYS
HB3
.156
2
18315
4
LYS
HB3
.158
2
18314
4
LYS
HB3
.158
2
1093
116
LYS
HB3
.16
2
17523
95
LYS
HB3
.196
2
5628
126
LYS
HB3
.2
2
4869
73
LYS
HB3
.21
2
17448
71
LYS
HB3
.267
2
4948
64
LYS
HB3
.27
2
16163
78
LYS
HB3
.277
1
10069
71
LYS
HB3
.28
2
15536
54
LYS
HB3
.283
2
15846
93
LYS
HB3
.286
2
16946
101
LYS
HB3
.291
2
11098
52
LYS
HB3
.295
2
6188
32
LYS
HB3
.3
2
10313
19
LYS
HB3
.304
2
18130
55
LYS
HB3
.306
2
16175
115
LYS
HB3
.318
2
16186
13
LYS
HB3
.32
2
5006
64
LYS
HB3
.32
2
4210
44
LYS
HB3
.33
2
17293
10
LYS
HB3
.332
2
10080
81
LYS
HB3
.339
2
4878
44
LYS
HB3
.34
2
11122
83
LYS
HB3
.342
2
15846
49
LYS
HB3
.346
2
18990
97
LYS
HB3
.349
2
4973
14
LYS
HB3
.35
2
6075
4
LYS
HB3
.35
1
5222
55
LYS
HB3
.36
2
15628
108
LYS
HB3
.362
2
16064
53
LYS
HB3
.363
2
18342
25
LYS
HB3
.37
2
4938
41
LYS
HB3
.37
2
17325
109
LYS
HB3
.373
2
15097
197
LYS
HB3
.38
2
16385
51
LYS
HB3
.387
2
11376
67
LYS
HB3
.398
2
6563
4
LYS
HB3
.399
2
7022
104
LYS
HB3
.4
2
5025
64
LYS
HB3
.4
2
11322
33
LYS
HB3
.404
2
18642
24
LYS
HB3
.404
2
18916
68
LYS
HB3
.412
1
18447
49
LYS
HB3
.421
2
18669
8
LYS
HB3
.423
2
6854
10
LYS
HB3
.424
1
11123
42
LYS
HB3
.435
2
10164
48
LYS
HB3
.436
2
4022
213
LYS
HB3
.44
2
18473
16
LYS
HB3
.445
2
18682
148
LYS
HB3
.446
.
5844
65
LYS
HB3
.449
2
5991
79
LYS
HB3
.451
2
7286
107
LYS
HB3
.46
2
16384
76
LYS
HB3
.46
2
17595
137
LYS
HB3
.465
2
18334
18
LYS
HB3
.467
2
4424
39
LYS
HB3
.47
1
18411
64
LYS
HB3
.478
2
18681
148
LYS
HB3
.482
.
5667
40
LYS
HB3
.485
.
4335
31
LYS
HB3
.49
2
4782
102
LYS
HB3
.49
1
4878
67
LYS
HB3
.5
2
18210
115
LYS
HB3
.502
1
6432
71
LYS
HB3
.507
2
4070
112
LYS
HB3
.51
2
16803
33
LYS
HB3
.521
2
15938
56
LYS
HB3
.5225
2
11283
52
LYS
HB3
.526
2
10274
52
LYS
HB3
.527
2
4342
28
LYS
HB3
.53
2
5753
41
LYS
HB3
.531
1
17312
50
LYS
HB3
.532
2
15055
24
LYS
HB3
.54
2
6960
65
LYS
HB3
.555
.
18349
58
LYS
HB3
.557
2
18188
51
LYS
HB3
.559
2
15964
48
LYS
HB3
.566
2
11417
52
LYS
HB3
.568
2
5204
45
LYS
HB3
.57
2
6902
16
LYS
HB3
.57
1
7281
13
LYS
HB3
.58
2
7242
89
LYS
HB3
.588
2
18375
23
LYS
HB3
.59
2
5605
64
LYS
HB3
.59
2
6096
49
LYS
HB3
.6
2
10250
60
LYS
HB3
.601
2
6015
55
LYS
HB3
.603
2
16103
41
LYS
HB3
.604
2
17374
48
LYS
HB3
.605
.
11320
93
LYS
HB3
.606
2
5141
72
LYS
HB3
.61
2
10290
58
LYS
HB3
.617
2
18671
8
LYS
HB3
.62
2
4453
23
LYS
HB3
.63
2
11122
111
LYS
HB3
.636
2
6095
4
LYS
HB3
.637
2
5768
6
LYS
HB3
.64
.
18048
68
LYS
HB3
.64
2
6011
7
LYS
HB3
.64
2
11303
32
LYS
HB3
.642
2
5769
6
LYS
HB3
.645
.
6631
40
LYS
HB3
.649
2
4022
127
LYS
HB3
.65
1
16766
64
LYS
HB3
.65
2
11122
90
LYS
HB3
.652
2
5073
19
LYS
HB3
.654
.
18346
46
LYS
HB3
.656
2
15232
133
LYS
HB3
.658
1
4342
76
LYS
HB3
.66
2
15530
113
LYS
HB3
.66
2
11296
32
LYS
HB3
.662
2
11146
102
LYS
HB3
.666
2
1500
25
LYS
HB3
.67
2
1745
25
LYS
HB3
.67
1
4424
27
LYS
HB3
.67
1
5203
10
LYS
HB3
.671
2
16329
36
LYS
HB3
.676
2
16161
83
LYS
HB3
.677
2
15701
57
LYS
HB3
.68
2
10250
52
LYS
HB3
.68
2
7371
39
LYS
HB3
.682
2
5813
6
LYS
HB3
.683
1
10316
85
LYS
HB3
.687
2
6875
104
LYS
HB3
.69
2
15028
4
LYS
HB3
.695
2
15723
24
LYS
HB3
.697
2
17995
102
LYS
HB3
.698
2
17938
47
LYS
HB3
.7
.
4305
52
LYS
HB3
.7
2
16493
97
LYS
HB3
.7
2
16446
45
LYS
HB3
.704
2
16372
119
LYS
HB3
.71
2
16141
36
LYS
HB3
.71
.
10237
50
LYS
HB3
.71
2
17747
95
LYS
HB3
.712
2
16083
31
LYS
HB3
.713
2
10239
105
LYS
HB3
.713
2
18682
116
LYS
HB3
.714
.
10238
96
LYS
HB3
.714
2
11242
13
LYS
HB3
.715
2
10236
50
LYS
HB3
.717
2
11080
94
LYS
HB3
.719
2
10313
12
LYS
HB3
.72
2
5578
40
LYS
HB3
.72
.
6401
87
LYS
HB3
.721
2
16929
168
LYS
HB3
.724
2
19034
61
LYS
HB3
.726
.
16494
97
LYS
HB3
.73
2
4758
77
LYS
HB3
.73
1
16472
91
LYS
HB3
.73
2
4715
28
LYS
HB3
.732
2
5319
41
LYS
HB3
.74
1
4195
52
LYS
HB3
.74
1
5623
32
LYS
HB3
.74
1
18346
76
LYS
HB3
.742
2
10073
119
LYS
HB3
.744
2
17783
96
LYS
HB3
.747
2
4768
39
LYS
HB3
.75
.
4091
118
LYS
HB3
.75
2
15510
13
LYS
HB3
.75
2
15510
13
LYS
HB3
.75
2
4404
4
LYS
HB3
.75
2
15057
55
LYS
HB3
.751
1
11252
79
LYS
HB3
.751
2
16311
54
LYS
HB3
.753
2
11053
198
LYS
HB3
.756
2
7310
154
LYS
HB3
.759
2
10235
50
LYS
HB3
.76
2
5099
44
LYS
HB3
.76
2
15510
13
LYS
HB3
.76
2
6829
57
LYS
HB3
.761
2
11212
83
LYS
HB3
.766
2
17686
141
LYS
HB3
.77
1
16585
133
LYS
HB3
.77
2
11122
77
LYS
HB3
.77
2
5659
155
LYS
HB3
.77
2
11219
13
LYS
HB3
.774
2
1875
133
LYS
HB3
.78
2
6644
125
LYS
HB3
.78
2
5308
89
LYS
HB3
.78
1
4670
117
LYS
HB3
.78
.
15800
63
LYS
HB3
.78
2
15578
334
LYS
HB3
.781
2
15020
25
LYS
HB3
.781
2
17741
50
LYS
HB3
.785
2
15386
56
LYS
HB3
.788
2
5902
82
LYS
HB3
.789
2
18320
72
LYS
HB3
.79
2
6282
46
LYS
HB3
.79
2
11212
48
LYS
HB3
.792
2
10033
16
LYS
HB3
.792
2
18013
133
LYS
HB3
.794
2
11008
32
LYS
HB3
.796
1
15351
12
LYS
HB3
.798
2
4394
14
LYS
HB3
.8
1
11330
29
LYS
HB3
.801
2
17950
50
LYS
HB3
.803
.
5205
12
LYS
HB3
.804
.
18555
59
LYS
HB3
.804
2
18389
76
LYS
HB3
.806
2
6000
95
LYS
HB3
.81
1
18489
75
LYS
HB3
.811
2
16874
15
LYS
HB3
.812
2
11203
79
LYS
HB3
.812
2
7287
57
LYS
HB3
.812
1
11488
50
LYS
HB3
.819
2
4878
81
LYS
HB3
.82
2
7224
10
LYS
HB3
.82
2
5701
115
LYS
HB3
.823
2
15615
202
LYS
HB3
.823
1
7194
63
LYS
HB3
.825
2
18492
54
LYS
HB3
.826
2
15553
92
LYS
HB3
.83
1
15163
15
LYS
HB3
.83
1
4893
82
LYS
HB3
.83
1
5048
41
LYS
HB3
.83
1
18434
13
LYS
HB3
.833
2
18044
185
LYS
HB3
.84
1
17005
122
LYS
HB3
.842
2
6769
80
LYS
HB3
.846
1
6096
31
LYS
HB3
.849
2
4155
17
LYS
HB3
.85
1
11322
26
LYS
HB3
.85
2
11239
25
LYS
HB3
.854
2
7107
103
LYS
HB3
.858
2
15935
69
LYS
HB3
.858
2
6189
17
LYS
HB3
.859
1
18201
9
LYS
HB3
.86
2
15358
74
LYS
HB3
.86
2
17577
29
LYS
HB3
.86
2
15330
74
LYS
HB3
.86
2
16682
29
LYS
HB3
.86
2
6585
48
LYS
HB3
.867
2
11297
12
LYS
HB3
.867
2
4121
54
LYS
HB3
.87
2
6515
129
LYS
HB3
.871
2
17636
45
LYS
HB3
.875
2
15850
105
LYS
HB3
.876
2
15935
56
LYS
HB3
.879
2
11143
114
LYS
HB3
.879
2
4305
34
LYS
HB3
.88
2
30
38
LYS
HB3
.88
1
4942
8
LYS
HB3
.88
2
16175
112
LYS
HB3
.882
2
11323
45
LYS
HB3
.883
2
10255
10
LYS
HB3
.885
2
11142
98
LYS
HB3
.886
2
5880
33
LYS
HB3
.887
1
6138
100
LYS
HB3
.888
2
15823
108
LYS
HB3
.888
2
4519
42
LYS
HB3
.889
2
6195
117
LYS
HB3
.89
.
16352
13
LYS
HB3
.89
2
6196
131
LYS
HB3
.89
.
7242
8
LYS
HB3
.89
2
18517
178
LYS
HB3
.89
2
17160
82
LYS
HB3
.89
2
18455
13
LYS
HB3
.891
2
17960
117
LYS
HB3
.891
2
17467
91
LYS
HB3
.8945
2
10200
17
LYS
HB3
.896
2
16164
46
LYS
HB3
.897
2
6525
7
LYS
HB3
.8981
1
18389
8
LYS
HB3
.899
2
17633
125
LYS
HB3
.901
2
10124
18
LYS
HB3
.903
2
6731
60
LYS
HB3
.904
2
17250
140
LYS
HB3
.904
2
15061
80
LYS
HB3
.906
2
18663
110
LYS
HB3
.909
2
5280
17
LYS
HB3
.91
2
6277
144
LYS
HB3
.912
2
15295
45
LYS
HB3
.913
2
16266
85
LYS
HB3
.914
2
6751
63
LYS
HB3
.915
2
10229
23
LYS
HB3
.915
2
18242
66
LYS
HB3
.917
2
15616
122
LYS
HB3
.917
1
11113
108
LYS
HB3
.918
2
7024
19
LYS
HB3
.919
.
5232
41
LYS
HB3
.92
2
10029
93
LYS
HB3
.92
2
18001
32
LYS
HB3
.92
1
2261
62
LYS
HB3
.92
1
15369
241
LYS
HB3
.921
2
10060
64
LYS
HB3
.922
1
6338
14
LYS
HB3
.925
2
11061
180
LYS
HB3
.925
2
11094
20
LYS
HB3
.926
2
11416
24
LYS
HB3
.926
2
16694
112
LYS
HB3
.926
2
10008
98
LYS
HB3
.927
1
11268
18
LYS
HB3
.928
2
18394
63
LYS
HB3
.929
2
5823
163
LYS
HB3
.93
1
5822
45
LYS
HB3
.93
1
18711
102
LYS
HB3
.931
2
16266
57
LYS
HB3
.932
2
11316
38
LYS
HB3
.932
2
16568
55
LYS
HB3
.933
2
11169
25
LYS
HB3
.937
2
18346
109
LYS
HB3
.937
2
15694
17
LYS
HB3
.938
2
10273
17
LYS
HB3
.938
2
18663
58
LYS
HB3
.939
2
15964
123
LYS
HB3
.939
1
6226
57
LYS
HB3
.94
2
5225
87
LYS
HB3
.94
1
15057
94
LYS
HB3
.942
1
11457
82
LYS
HB3
.943
2
17637
23
LYS
HB3
.945
2