LYS HB2 Chemical Shift Outliers

___________________________________________________
LYS HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
27057
1.778
-.75
4.05
0.248


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18197
24
LYS
HB2
2.526
2
6314
73
LYS
HB2
2.526
1
18622
82
LYS
HB2
2.527
2
17988
8
LYS
HB2
2.531
2
18906
69
LYS
HB2
2.534
.
7310
140
LYS
HB2
2.54
2
1478
51
LYS
HB2
2.57
2
4674
9
LYS
HB2
2.57
.
15922
37
LYS
HB2
2.579
2
16116
28
LYS
HB2
2.584
1
11298
9
LYS
HB2
2.584
2
11298
34
LYS
HB2
2.597
2
16445
2
LYS
HB2
2.598
1
5678
123
LYS
HB2
2.62
1
4384
218
LYS
HB2
2.622
2
6585
48
LYS
HB2
2.623
2
7093
81
LYS
HB2
2.626
2
5678
94
LYS
HB2
2.63
1
18111
41
LYS
HB2
2.634
2
16030
57
LYS
HB2
2.64
2
11298
11
LYS
HB2
2.648
2
17425
35
LYS
HB2
2.6484
1
11298
14
LYS
HB2
2.649
1
15715
52
LYS
HB2
2.66
2
19197
115
LYS
HB2
2.68
2
4271
115
LYS
HB2
2.68
1
7064
30
LYS
HB2
2.702
1
5163
46
LYS
HB2
2.704
.
7064
14
LYS
HB2
2.708
1
7064
12
LYS
HB2
2.717
1
11211
62
LYS
HB2
2.738
2
4891
48
LYS
HB2
2.782
1
17741
32
LYS
HB2
2.789
2
6272
54
LYS
HB2
2.79
1
17742
32
LYS
HB2
2.794
2
11255
115
LYS
HB2
2.795
2
17279
112
LYS
HB2
2.804
2
11308
59
LYS
HB2
2.825
2
4727
27
LYS
HB2
2.85
9
5662
71
LYS
HB2
2.93
.
5873
20
LYS
HB2
2.95
2
4948
52
LYS
HB2
2.95
2
9
13
LYS
HB2
2.96
2
17813
32
LYS
HB2
2.968
.
21008
7
LYS
HB2
2.977
2
4498
47
LYS
HB2
2.99
.
4600
47
LYS
HB2
2.99
.
18663
187
LYS
HB2
3.023
2
17512
22
LYS
HB2
3.06
.
16679
172
LYS
HB2
3.118
2
16694
71
LYS
HB2
3.339
2
5324
98
LYS
HB2
3.708
2
63
47
LYS
HB2
3.77
1
17799
23
LYS
HB2
3.814
2
17806
1
LYS
HB2
3.819
2
4462
25
LYS
HB2
4.04
2
4044
10
LYS
HB2
4.05
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6869
48
LYS
HB2
-.04
1
17633
125
LYS
HB2
-.14
2
4562
116
LYS
HB2
-.15
2
4943
116
LYS
HB2
-.17
2
4943
116
LYS
HB2
-.18
2
18337
53
LYS
HB2
-.192
2
18277
24
LYS
HB2
-.193
2
18095
88
LYS
HB2
-.252
1
18389
37
LYS
HB2
-.357
2
6188
32
LYS
HB2
-.49
2
16315
18
LYS
HB2
-.71
2
4931
87
LYS
HB2
-.75
1
6829
57
LYS
HB2
.011
2
5753
41
LYS
HB2
.047
1
6901
120
LYS
HB2
.076
2
18411
64
LYS
HB2
.076
2
10290
58
LYS
HB2
.078
2
4973
14
LYS
HB2
.1
2
17613
53
LYS
HB2
.111
2
15358
74
LYS
HB2
.134
2
15330
74
LYS
HB2
.134
2
18039
61
LYS
HB2
.14
2
7107
103
LYS
HB2
.143
2
4424
27
LYS
HB2
.15
1
15720
79
LYS
HB2
.152
2
7339
79
LYS
HB2
.152
2
18711
102
LYS
HB2
.159
2
5177
96
LYS
HB2
.16
2
7224
10
LYS
HB2
.17
2
16632
99
LYS
HB2
.178
2
16632
99
LYS
HB2
.197
2
16803
33
LYS
HB2
.219
2
5361
52
LYS
HB2
.22
2
15369
241
LYS
HB2
.221
2
4121
54
LYS
HB2
.23
2
5968
57
LYS
HB2
.25
2
6169
5
LYS
HB2
.256
1
10092
40
LYS
HB2
.259
2
15028
4
LYS
HB2
.268
2
4195
64
LYS
HB2
.27
2
4211
32
LYS
HB2
.28
1
5845
7
LYS
HB2
.3
2
6406
71
LYS
HB2
.307
1
16570
68
LYS
HB2
.31
2
6518
107
LYS
HB2
.31
2
6256
94
LYS
HB2
.32
2
17960
117
LYS
HB2
.32
2
17864
36
LYS
HB2
.325
2
6727
56
LYS
HB2
.33
2
10250
27
LYS
HB2
.333
2
6624
106
LYS
HB2
.336
2
18671
8
LYS
HB2
.341
2
16691
58
LYS
HB2
.35
2
7192
61
LYS
HB2
.35
2
8
64
LYS
HB2
.36
2
16267
88
LYS
HB2
.37
2
300
46
LYS
HB2
.37
2
17005
122
LYS
HB2
.391
2
18445
49
LYS
HB2
.397
2
247
26
LYS
HB2
.4
2
4988
36
LYS
HB2
.4
2
275
46
LYS
HB2
.41
2
4779
89
LYS
HB2
.41
2
15172
29
LYS
HB2
.41
2
15172
29
LYS
HB2
.41
2
6854
10
LYS
HB2
.424
1
16186
13
LYS
HB2
.43
2
63
46
LYS
HB2
.43
2
18210
115
LYS
HB2
.439
1
326
26
LYS
HB2
.44
2
15265
108
LYS
HB2
.45
2
16691
52
LYS
HB2
.47
2
18682
148
LYS
HB2
.473
.
15074
45
LYS
HB2
.477
2
1745
25
LYS
HB2
.48
1
1500
25
LYS
HB2
.48
2
5810
107
LYS
HB2
.488
2
6649
20
LYS
HB2
.488
.
4782
102
LYS
HB2
.49
1
19056
109
LYS
HB2
.498
2
6000
95
LYS
HB2
.5
1
17282
46
LYS
HB2
.5
2
6533
17
LYS
HB2
.511
2
16603
46
LYS
HB2
.513
2
16629
140
LYS
HB2
.521
2
11242
13
LYS
HB2
.545
2
15943
23
LYS
HB2
.55
2
15536
54
LYS
HB2
.552
2
5393
36
LYS
HB2
.554
2
18389
76
LYS
HB2
.558
2
17325
109
LYS
HB2
.559
2
5970
107
LYS
HB2
.559
2
18188
51
LYS
HB2
.559
2
15628
108
LYS
HB2
.561
2
11316
38
LYS
HB2
.569
2
16051
7
LYS
HB2
.57
2
16154
7
LYS
HB2
.57
2
11252
79
LYS
HB2
.581
2
16058
197
LYS
HB2
.585
2
15823
11
LYS
HB2
.593
2
7024
19
LYS
HB2
.594
.
10033
16
LYS
HB2
.599
2
11122
83
LYS
HB2
.6
2
6902
16
LYS
HB2
.6
1
6454
74
LYS
HB2
.6
2
11080
94
LYS
HB2
.604
2
6649
56
LYS
HB2
.609
.
19049
57
LYS
HB2
.61
2
6011
7
LYS
HB2
.61
2
17685
83
LYS
HB2
.612
2
15776
65
LYS
HB2
.62
2
5524
27
LYS
HB2
.63
2
18337
2
LYS
HB2
.631
2
6159
37
LYS
HB2
.632
2
5799
129
LYS
HB2
.64
2
15163
15
LYS
HB2
.64
1
17025
40
LYS
HB2
.641
2
18530
83
LYS
HB2
.644
2
4022
127
LYS
HB2
.65
1
17076
123
LYS
HB2
.656
2
2049
32
LYS
HB2
.661
2
17293
10
LYS
HB2
.666
2
19317
16
LYS
HB2
.676
.
16030
27
LYS
HB2
.68
2
18342
25
LYS
HB2
.681
2
16549
70
LYS
HB2
.682
2
16064
53
LYS
HB2
.682
2
18372
53
LYS
HB2
.684
2
11094
20
LYS
HB2
.684
2
6196
131
LYS
HB2
.69
.
6195
117
LYS
HB2
.69
.
4931
49
LYS
HB2
.69
1
11080
11
LYS
HB2
.69
2
17512
115
LYS
HB2
.69
.
6769
80
LYS
HB2
.692
1
16082
82
LYS
HB2
.696
2
18669
8
LYS
HB2
.699
2
17686
141
LYS
HB2
.7
1
4022
213
LYS
HB2
.7
2
18604
23
LYS
HB2
.7
2
18681
148
LYS
HB2
.704
.
6400
87
LYS
HB2
.705
2
4637
56
LYS
HB2
.71
4
10193
38
LYS
HB2
.721
2
7219
141
LYS
HB2
.724
2
15061
41
LYS
HB2
.726
2
16317
98
LYS
HB2
.733
2
15280
30
LYS
HB2
.735
1
11095
20
LYS
HB2
.736
2
10164
48
LYS
HB2
.74
2
15851
74
LYS
HB2
.745
2
11107
29
LYS
HB2
.749
2
4768
39
LYS
HB2
.75
.
18517
178
LYS
HB2
.75
2
5349
56
LYS
HB2
.75
2
17074
123
LYS
HB2
.754
2
16686
36
LYS
HB2
.755
1
11053
198
LYS
HB2
.756
2
15783
98
LYS
HB2
.756
.
11088
59
LYS
HB2
.758
2
6138
100
LYS
HB2
.761
2
19001
47
LYS
HB2
.763
9
19001
31
LYS
HB2
.768
9
10316
85
LYS
HB2
.769
2
16018
74
LYS
HB2
.769
1
5211
104
LYS
HB2
.77
.
6075
4
LYS
HB2
.78
1
18788
133
LYS
HB2
.78
2
4931
31
LYS
HB2
.78
1
4052
133
LYS
HB2
.78
.
16840
69
LYS
HB2
.785
2
17467
61
LYS
HB2
.7893
2
55
32
LYS
HB2
.79
2
15750
9
LYS
HB2
.79
2
4619
14
LYS
HB2
.792
.
17467
91
LYS
HB2
.7979
2
7175
8
LYS
HB2
.8
2
16072
8
LYS
HB2
.8
2
18334
18
LYS
HB2
.81
2
1696
140
LYS
HB2
.81
2
7287
57
LYS
HB2
.812
1
6731
60
LYS
HB2
.815
2
17250
140
LYS
HB2
.815
2
18878
72
LYS
HB2
.818
2
18694
4
LYS
HB2
.819
2
5006
52
LYS
HB2
.82
2
5598
65
LYS
HB2
.82
.
6944
95
LYS
HB2
.821
.
16385
51
LYS
HB2
.822
2
10329
65
LYS
HB2
.822
2
4276
51
LYS
HB2
.83
1
4893
82
LYS
HB2
.83
1
5104
98
LYS
HB2
.83
2
10250
52
LYS
HB2
.832
2
6563
4
LYS
HB2
.833
2
11487
22
LYS
HB2
.834
2
5203
10
LYS
HB2
.835
2
17396
20
LYS
HB2
.835
1
4460
98
LYS
HB2
.837
1
17995
102
LYS
HB2
.839
2
16766
64
LYS
HB2
.839
2
18438
35
LYS
HB2
.839
1
10154
17
LYS
HB2
.839
2
4827
67
LYS
HB2
.84
.
16691
84
LYS
HB2
.84
2
4827
9
LYS
HB2
.84
.
5999
93
LYS
HB2
.843
2
18478
71
LYS
HB2
.8431
2
11213
47
LYS
HB2
.846
2
6096
87
LYS
HB2
.847
2
5205
12
LYS
HB2
.848
.
17233
78
LYS
HB2
.848
2
4155
17
LYS
HB2
.85
1
4973
23
LYS
HB2
.85
2
4195
52
LYS
HB2
.85
1
15616
122
LYS
HB2
.858
1
4828
67
LYS
HB2
.86
.
15510
13
LYS
HB2
.86
2
11457
82
LYS
HB2
.864
2
5073
19
LYS
HB2
.868
.
15510
13
LYS
HB2
.87
2
4828
9
LYS
HB2
.87
.
10219
23
LYS
HB2
.871
2
7022
104
LYS
HB2
.872
2
17526
94
LYS
HB2
.876
2
18349
58
LYS
HB2
.878
2
10237
50
LYS
HB2
.878
2
10239
105
LYS
HB2
.879
2
15510
13
LYS
HB2
.88
2
4101
168
LYS
HB2
.88
2
4424
39
LYS
HB2
.88
1
30
38
LYS
HB2
.88
1
7242
89
LYS
HB2
.88
2
15723
24
LYS
HB2
.882
2
10073
119
LYS
HB2
.883
2
10238
96
LYS
HB2
.883
2
7009
76
LYS
HB2
.884
.
10236
50
LYS
HB2
.885
2
11458
38
LYS
HB2
.885
2
16141
36
LYS
HB2
.89
.
6432
71
LYS
HB2
.892
2
15351
12
LYS
HB2
.896
2
16164
46
LYS
HB2
.897
2
6525
7
LYS
HB2
.8981
1
18389
8
LYS
HB2
.899
2
15242
54
LYS
HB2
.9
.
15615
202
LYS
HB2
.9
1
11376
67
LYS
HB2
.9
2
17825
45
LYS
HB2
.902
2
15061
80
LYS
HB2
.906
2
15776
57
LYS
HB2
.91
2
10004
163
LYS
HB2
.91
2
15902
37
LYS
HB2
.91
2
6238
46
LYS
HB2
.911
1
10235
50
LYS
HB2
.911
2
6895
69
LYS
HB2
.915
2
349
67
LYS
HB2
.92
2
4404
4
LYS
HB2
.92
2
6003
16
LYS
HB2
.92
2
18187
68
LYS
HB2
.921
2
15578
334
LYS
HB2
.921
2
16977
107
LYS
HB2
.922
2
10060
64
LYS
HB2
.922
1
17879
16
LYS
HB2
.924
2
17521
30
LYS
HB2
.925
2
15927
169
LYS
HB2
.926
1
11219
13
LYS
HB2
.927
2
10008
98
LYS
HB2
.927
1
5823
163
LYS
HB2
.93
1
5822
45
LYS
HB2
.93
1
4948
64
LYS
HB2
.93
2
1062
15
LYS
HB2
.93
2
16647
56
LYS
HB2
.93
2
1061
16
LYS
HB2
.93
1
4327
47
LYS
HB2
.93
2
5156
78
LYS
HB2
.93
2
18346
46
LYS
HB2
.933
2
7310
44
LYS
HB2
.935
2
17523
153
LYS
HB2
.937
2
16362
168
LYS
HB2
.938
2
17447
28
LYS
HB2
.939
2
15964
123
LYS
HB2
.939
1
4878
44
LYS
HB2
.94
2
5024
52
LYS
HB2
.94
2
15055
24
LYS
HB2
.94
2
6282
46
LYS
HB2
.94
2
18909
31
LYS
HB2
.94
2
4327
44
LYS
HB2
.94
2
5225
87
LYS
HB2
.94
1
6777
14
LYS
HB2
.941
2
10295
40
LYS
HB2
.943
2
11010
96
LYS
HB2
.948
1
6280
116
LYS
HB2
.948
2
18434
13
LYS
HB2
.949
2
45
46
LYS
HB2
.95
2
5048
41
LYS
HB2
.95
1
4878
27
LYS
HB2
.95
2
6015
55
LYS
HB2
.951
2
10326
88
LYS
HB2
.952
2
18183
106
LYS
HB2
.955
2
7070
20
LYS
HB2
.957
2
5667
40
LYS
HB2
.957
.
15678
65
LYS
HB2
.958
2
16630
168
LYS
HB2
.961
2
15349
10
LYS
HB2
.967
2
15446
16
LYS
HB2
.967
2
5659
155
LYS
HB2
.97
2
6956
63
LYS
HB2
.97
2
15701
57
LYS
HB2
.97
2
15160
14
LYS
HB2
.972
2
18765
48
LYS
HB2
.972
2
6980
39
LYS
HB2
.974
2
16569
45
LYS
HB2
.976
2
18433
37
LYS
HB2
.976
.
15371
7
LYS
HB2
.979
2
4562
33
LYS
HB2
.98
2
5156
78
LYS
HB2
.98
2
6068
4
LYS
HB2
.98
.
5006
64
LYS
HB2
.98
2
6943
90
LYS
HB2
.98
1
16832
127
LYS
HB2
.98
.
4418
50
LYS
HB2
.98
2
18011
199
LYS
HB2
.981
2
18432
17
LYS
HB2
.984
.
15850
105
LYS
HB2
.985
2
8
52
LYS
HB2
.99
1
6410
28
LYS
HB2
.99
2
4156
72
LYS
HB2
.99
1
16478
45
LYS
HB2
.992
2
11456
58
LYS
HB2
.993
2
16442
15
LYS
HB2
.994
2
6922
30
LYS
HB2
.994
1
15846
49
LYS
HB2
.997
2
18878
19
LYS
HB2
.998
2
18039
17
LYS
HB2
.999
2
6644
125
LYS
HB2
1
2
17039
33
LYS
HB2
1
2
18048
68
LYS
HB2
1
2
4110
159
LYS
HB2
1
2
4510
16
LYS
HB2
1
1
6096
49
LYS
HB2
1
2
5902
82
LYS
HB2
1.004
2
10328
87
LYS
HB2
1.005
2
15935
69
LYS
HB2
1.005
2
11181
54
LYS
HB2
1.006
2
4737
94
LYS
HB2
1.007
1
257
96
LYS
HB2
1.01
2
4827
88
LYS
HB2
1.01
.
4825
10
LYS
HB2
1.01
2
256
95
LYS
HB2
1.01
2
16163
78
LYS
HB2
1.012
1
10123
71
LYS
HB2
1.012
2
18135
133
LYS
HB2
1.013
2
17668
3
LYS
HB2
1.014
2
6003
113
LYS
HB2
1.015
2
17257
46
LYS
HB2
1.015
2
17398
15
LYS
HB2
1.016
2
5606
74
LYS
HB2
1.02
1
15139
103
LYS
HB2
1.02
2
5280
77
LYS
HB2
1.02
1
4828
88
LYS
HB2
1.02
.
16472
91
LYS
HB2
1.023
2
4233
34
LYS
HB2
1.0248
2
4234
40
LYS
HB2
1.0257
2
4234
19
LYS
HB2
1.0258
2
18431
22
LYS
HB2
1.026
.
4233
25
LYS
HB2
1.0265
2
4234
3
LYS
HB2
1.0268
2
4234
41
LYS
HB2
1.027
2
4234
4
LYS
HB2
1.0271
2
10164
101
LYS
HB2
1.03
2
18196
70
LYS
HB2
1.03
2
15203
17
LYS
HB2
1.03
2
15800
63
LYS
HB2
1.03
2
4455
34
LYS
HB2
1.03
2
17523
95
LYS
HB2
1.031
2
7008
77
LYS
HB2
1.033
.