LYS HD3 Chemical Shift Outliers

___________________________________________________
LYS HD3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
36240
1.594
-2.02
29.047
0.274


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7322
96
LYS
HD3
2.426
1
6995
155
LYS
HD3
2.43
2
16335
17
LYS
HD3
2.434
2
6050
18
LYS
HD3
2.437
1
4159
23
LYS
HD3
2.458
1
5304
79
LYS
HD3
2.46
1
25477
52
LYS
HD3
2.467
2
4744
42
LYS
HD3
2.475
.
6680
8
LYS
HD3
2.481
1
19783
13
LYS
HD3
2.482
2
11298
14
LYS
HD3
2.483
1
18302
75
LYS
HD3
2.489
1
11298
9
LYS
HD3
2.491
1
11298
11
LYS
HD3
2.493
1
4435
63
LYS
HD3
2.52
1
19866
165
LYS
HD3
2.523
.
2282
8
LYS
HD3
2.53
2
18578
113
LYS
HD3
2.533
2
18755
93
LYS
HD3
2.569
2
6147
88
LYS
HD3
2.573
1
2282
7
LYS
HD3
2.58
2
1885
26
LYS
HD3
2.6
1
4744
18
LYS
HD3
2.604
.
16618
14
LYS
HD3
2.61
2
5624
148
LYS
HD3
2.61
4
25640
72
LYS
HD3
2.618
1
16630
30
LYS
HD3
2.645
2
5506
101
LYS
HD3
2.67
1
19910
76
LYS
HD3
2.689
1
17768
15
LYS
HD3
2.69
2
1991
50
LYS
HD3
2.7
1
4651
21
LYS
HD3
2.73
.
4651
6
LYS
HD3
2.76
.
30450
150
LYS
HD3
2.784
2
4744
61
LYS
HD3
2.791
.
4559
49
LYS
HD3
2.81
.
26026
126
LYS
HD3
2.815
.
5235
56
LYS
HD3
2.83
1
5866
3
LYS
HD3
2.83
1
6131
3
LYS
HD3
2.834
1
48
46
LYS
HD3
2.85
1
17227
22
LYS
HD3
2.852
2
5328
84
LYS
HD3
2.858
1
4334
75
LYS
HD3
2.86
1
26780
106
LYS
HD3
2.867
2
30529
17
LYS
HD3
2.87
2
17067
140
LYS
HD3
2.87
2
6920
46
LYS
HD3
2.88
1
7286
72
LYS
HD3
2.895
2
16390
36
LYS
HD3
2.9
2
4270
148
LYS
HD3
2.91
1
16608
64
LYS
HD3
2.91
.
16608
28
LYS
HD3
2.91
.
4214
58
LYS
HD3
2.915
.
30372
11
LYS
HD3
2.917
2
25864
33
LYS
HD3
2.92
2
4179
5
LYS
HD3
2.93
1
15981
149
LYS
HD3
2.935
2
19214
22
LYS
HD3
2.94
1
18876
34
LYS
HD3
2.943
1
17882
63
LYS
HD3
2.945
2
15487
46
LYS
HD3
2.948
.
4678
7
LYS
HD3
2.95
.
11544
69
LYS
HD3
2.951
1
11548
69
LYS
HD3
2.959
1
1495
6
LYS
HD3
2.96
1
4231
70
LYS
HD3
2.96
.
5094
57
LYS
HD3
2.96
.
19191
21
LYS
HD3
2.97
2
5094
35
LYS
HD3
2.97
.
4179
10
LYS
HD3
2.97
1
1495
63
LYS
HD3
2.98
1
16181
12
LYS
HD3
2.98
2
15602
102
LYS
HD3
2.98
2
19191
57
LYS
HD3
2.98
2
27165
105
LYS
HD3
2.99
2
11431
55
LYS
HD3
2.99
2
6928
4
LYS
HD3
29.047
1
7153
1
LYS
HD3
3
.
4181
64
LYS
HD3
3.008
.
4231
12
LYS
HD3
3.01
.
1495
16
LYS
HD3
3.02
1
7153
13
LYS
HD3
3.02
.
1495
69
LYS
HD3
3.02
1
5804
14
LYS
HD3
3.02
2
5952
70
LYS
HD3
3.02
1
5662
33
LYS
HD3
3.03
.
5068
14
LYS
HD3
3.03
2
7160
13
LYS
HD3
3.03
.
5803
14
LYS
HD3
3.03
2
6415
14
LYS
HD3
3.03
2
15364
35
LYS
HD3
3.04
2
4726
18
LYS
HD3
3.04
.
4010
97
LYS
HD3
3.05
1
5094
7
LYS
HD3
3.07
.
4726
76
LYS
HD3
3.07
.
1495
37
LYS
HD3
3.07
1
34225
47
LYS
HD3
3.08
2
25917
14
LYS
HD3
3.087
.
6883
172
LYS
HD3
3.089
2
6576
38
LYS
HD3
3.1
1
6576
38
LYS
HD3
3.1
1
18934
8
LYS
HD3
3.14
1
17693
16
LYS
HD3
3.166
2
2281
63
LYS
HD3
3.18
1
7153
13
LYS
HD3
3.19
.
17505
58
LYS
HD3
3.193
2
5094
56
LYS
HD3
3.23
.
5625
63
LYS
HD3
3.26
2
25043
39
LYS
HD3
3.327
2
30150
90
LYS
HD3
3.329
1
6634
63
LYS
HD3
3.35
2
16443
62
LYS
HD3
3.457
2
5026
72
LYS
HD3
3.46
.
758
28
LYS
HD3
3.61
1
4781
3
LYS
HD3
4.695
1
19854
127
LYS
HD3
5.663
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5902
29
LYS
HD3
-.007
2
16463
36
LYS
HD3
-.011
2
5009
98
LYS
HD3
-.014
.
5466
78
LYS
HD3
-.03
.
16443
45
LYS
HD3
-.051
2
11563
42
LYS
HD3
-.057
2
18388
76
LYS
HD3
-.057
2
18944
30
LYS
HD3
-.065
1
18990
93
LYS
HD3
-.088
2
18642
20
LYS
HD3
-.098
2
5963
18
LYS
HD3
-.102
1
25155
114
LYS
HD3
-.137
.
5991
79
LYS
HD3
-.148
2
10295
40
LYS
HD3
-.149
2
17732
52
LYS
HD3
-.18
2
17969
29
LYS
HD3
-.212
2
17970
29
LYS
HD3
-.228
2
17752
88
LYS
HD3
-.249
2
17325
109
LYS
HD3
-.283
2
25567
96
LYS
HD3
-.286
.
4837
109
LYS
HD3
-.3
1
34121
206
LYS
HD3
-.36
2
25342
96
LYS
HD3
-.361
2
4743
41
LYS
HD3
-.37
2
10312
10
LYS
HD3
-.415
2
18916
68
LYS
HD3
-.451
2
10311
13
LYS
HD3
-.482
2
19518
89
LYS
HD3
-.492
1
25874
43
LYS
HD3
-.508
2
18787
43
LYS
HD3
-.517
1
30298
67
LYS
HD3
-.534
2
10267
21
LYS
HD3
-.567
2
16842
43
LYS
HD3
-.599
2
17752
52
LYS
HD3
-.767
2
11304
57
LYS
HD3
-.911
2
17191
61
LYS
HD3
-.955
2
5844
65
LYS
HD3
-1.016
2
17022
47
LYS
HD3
-1.266
2
4436
80
LYS
HD3
-2.02
2
18130
55
LYS
HD3
.011
2
19709
113
LYS
HD3
.013
2
18878
19
LYS
HD3
.025
2
4884
61
LYS
HD3
.03
2
5094
87
LYS
HD3
.04
.
18478
18
LYS
HD3
.0423
2
11500
91
LYS
HD3
.061
2
17310
138
LYS
HD3
.079
2
10296
30
LYS
HD3
.084
1
16686
36
LYS
HD3
.092
2
17250
140
LYS
HD3
.102
2
6731
60
LYS
HD3
.102
2
17827
81
LYS
HD3
.105
1
5349
56
LYS
HD3
.12
2
16063
57
LYS
HD3
.12
2
6603
134
LYS
HD3
.125
2
25857
44
LYS
HD3
.1319
2
27146
41
LYS
HD3
.132
2
16164
46
LYS
HD3
.134
2
7203
29
LYS
HD3
.141
.
25640
99
LYS
HD3
.163
1
16372
35
LYS
HD3
.174
2
16569
45
LYS
HD3
.202
2
11127
56
LYS
HD3
.204
2
5126
87
LYS
HD3
.21
.
26552
68
LYS
HD3
.212
.
34022
43
LYS
HD3
.212
.
17750
85
LYS
HD3
.216
2
17806
101
LYS
HD3
.223
2
15344
38
LYS
HD3
.231
2
17534
88
LYS
HD3
.241
2
17534
48
LYS
HD3
.241
2
7371
39
LYS
HD3
.248
2
10098
71
LYS
HD3
.25
2
19508
82
LYS
HD3
.25
2
34121
164
LYS
HD3
.253
2
19047
147
LYS
HD3
.262
1
5947
99
LYS
HD3
.269
2
25315
27
LYS
HD3
.275
2
19047
147
LYS
HD3
.279
1
4121
54
LYS
HD3
.28
2
4748
82
LYS
HD3
.28
1
11549
56
LYS
HD3
.286
1
4186
53
LYS
HD3
.29
2
4748
82
LYS
HD3
.294
1
17265
108
LYS
HD3
.295
2
19511
30
LYS
HD3
.297
2
5578
40
LYS
HD3
.3
.
19048
147
LYS
HD3
.302
1
16082
82
LYS
HD3
.302
2
7123
38
LYS
HD3
.306
1
15558
117
LYS
HD3
.306
2
10282
65
LYS
HD3
.306
2
16992
128
LYS
HD3
.309
1
5319
41
LYS
HD3
.31
1
10107
82
LYS
HD3
.312
2
19876
115
LYS
HD3
.312
2
4748
88
LYS
HD3
.316
1
18906
61
LYS
HD3
.317
.
4424
48
LYS
HD3
.32
1
5054
106
LYS
HD3
.33
2
4748
88
LYS
HD3
.332
1
5579
40
LYS
HD3
.34
.
15530
76
LYS
HD3
.34
2
4078
15
LYS
HD3
.34
1
17890
37
LYS
HD3
.345
2
17902
37
LYS
HD3
.347
2
4455
9
LYS
HD3
.35
2
10280
16
LYS
HD3
.353
2
19354
80
LYS
HD3
.354
2
7242
8
LYS
HD3
.357
2
15002
68
LYS
HD3
.357
.
4279
12
LYS
HD3
.37
1
5539
49
LYS
HD3
.37
1
6001
37
LYS
HD3
.37
2
30288
21
LYS
HD3
.373
2
16677
133
LYS
HD3
.375
2
4080
23
LYS
HD3
.38
2
5048
41
LYS
HD3
.38
1
19049
57
LYS
HD3
.38
2
16018
74
LYS
HD3
.381
1
11451
62
LYS
HD3
.383
2
4639
50
LYS
HD3
.389
1
15684
144
LYS
HD3
.389
.
4964
98
LYS
HD3
.4
1
5222
60
LYS
HD3
.4
4
16141
36
LYS
HD3
.4
.
4081
133
LYS
HD3
.4
2
19458
106
LYS
HD3
.4043
.
7025
46
LYS
HD3
.407
2
5625
104
LYS
HD3
.41
2
18011
199
LYS
HD3
.415
2
27240
60
LYS
HD3
.416
.
11116
63
LYS
HD3
.418
2
15800
63
LYS
HD3
.42
2
10107
105
LYS
HD3
.422
2
4574
44
LYS
HD3
.43
1
4154
79
LYS
HD3
.43
2
15607
191
LYS
HD3
.434
1
15553
92
LYS
HD3
.44
1
30537
117
LYS
HD3
.44
2
17694
59
LYS
HD3
.44
.
30353
73
LYS
HD3
.44
2
7063
25
LYS
HD3
.446
2
10290
58
LYS
HD3
.446
2
10299
83
LYS
HD3
.449
2
5366
49
LYS
HD3
.45
2
19444
46
LYS
HD3
.451
2
19043
35
LYS
HD3
.457
2
6634
104
LYS
HD3
.46
2
30308
21
LYS
HD3
.46
2
30529
21
LYS
HD3
.46
2
1875
133
LYS
HD3
.46
1
5667
40
LYS
HD3
.465
.
17418
69
LYS
HD3
.47
.
7179
78
LYS
HD3
.47
2
10164
48
LYS
HD3
.473
2
16163
78
LYS
HD3
.474
1
4969
98
LYS
HD3
.48
2
19807
86
LYS
HD3
.49
2
4681
41
LYS
HD3
.49
.
4898
63
LYS
HD3
.49
2
19315
31
LYS
HD3
.492
2
15922
91
LYS
HD3
.493
2
18548
10
LYS
HD3
.496
2
6693
116
LYS
HD3
.496
2
15020
78
LYS
HD3
.498
2
6836
6
LYS
HD3
.498
.
11107
29
LYS
HD3
.498
2
15382
41
LYS
HD3
.5
.
15616
122
LYS
HD3
.503
1
25986
70
LYS
HD3
.504
2
25240
23
LYS
HD3
.507
1
5565
63
LYS
HD3
.51
2
6525
7
LYS
HD3
.515
4
34294
28
LYS
HD3
.517
.
7036
54
LYS
HD3
.52
2
4572
68
LYS
HD3
.52
2
5130
33
LYS
HD3
.52
.
7194
15
LYS
HD3
.522
2
15549
54
LYS
HD3
.522
2
18346
76
LYS
HD3
.526
2
18048
24
LYS
HD3
.53
2
4681
3
LYS
HD3
.53
.
4579
63
LYS
HD3
.53
1
7281
13
LYS
HD3
.53
2
11061
180
LYS
HD3
.531
2
7158
31
LYS
HD3
.533
2
19398
53
LYS
HD3
.534
1
5466
3
LYS
HD3
.54
.
16832
124
LYS
HD3
.54
.
16366
97
LYS
HD3
.54
2
16472
94
LYS
HD3
.541
2
15615
202
LYS
HD3
.541
1
16252
30
LYS
HD3
.542
2
10316
85
LYS
HD3
.546
2
10031
89
LYS
HD3
.546
2
25314
27
LYS
HD3
.547
2
17005
122
LYS
HD3
.548
2
25313
27
LYS
HD3
.548
2
16575
35
LYS
HD3
.55
2
16030
61
LYS
HD3
.55
2
17816
22
LYS
HD3
.552
2
11417
52
LYS
HD3
.553
2
25379
177
LYS
HD3
.555
1
11128
85
LYS
HD3
.558
2
16206
49
LYS
HD3
.56
.
16021
87
LYS
HD3
.561
2
18664
32
LYS
HD3
.562
1
11073
87
LYS
HD3
.563
2
4744
36
LYS
HD3
.567
.
5279
36
LYS
HD3
.567
.
25391
136
LYS
HD3
.574
2
4670
117
LYS
HD3
.58
.
11095
20
LYS
HD3
.58
2
15020
25
LYS
HD3
.581
2
11086
119
LYS
HD3
.582
2
10145
134
LYS
HD3
.584
2
11300
42
LYS
HD3
.584
2
25798
120
LYS
HD3
.589
2
5388
9
LYS
HD3
.59
2
17519
36
LYS
HD3
.592
1
18518
103
LYS
HD3
.596
1
30375
187
LYS
HD3
.598
.
5105
23
LYS
HD3
.6
2
7323
4
LYS
HD3
.6
1
16791
18
LYS
HD3
.601
2
18507
43
LYS
HD3
.603
2
5807
97
LYS
HD3
.61
2
5803
34
LYS
HD3
.61
2
25343
11
LYS
HD3
.612
1
6759
132
LYS
HD3
.615
.
15603
28
LYS
HD3
.617
2
18607
22
LYS
HD3
.617
2
11499
93
LYS
HD3
.618
2
5026
99
LYS
HD3
.62
.
6626
68
LYS
HD3
.62
2
7160
33
LYS
HD3
.62
.
5068
34
LYS
HD3
.62
2
19585
53
LYS
HD3
.62
.
18471
14
LYS
HD3
.622
2
10273
17
LYS
HD3
.628
2
16568
55
LYS
HD3
.628
2
5804
34
LYS
HD3
.63
2
25799
120
LYS
HD3
.63
2
17750
117
LYS
HD3
.632
2
17997
17
LYS
HD3
.633
2
11472
93
LYS
HD3
.635
2
10255
16
LYS
HD3
.635
2
5130
1
LYS
HD3
.637
.
15939
59
LYS
HD3
.638
2
6312
108
LYS
HD3
.639
2
18349
42
LYS
HD3
.639
2
5554
13
LYS
HD3
.64
2
10319
10
LYS
HD3
.647
2
17288
102
LYS
HD3
.648
1
25933
23
LYS
HD3
.649
2
4127
50
LYS
HD3
.65
2
15602
108
LYS
HD3
.65
2
4682
3
LYS
HD3
.65
.
17979
17
LYS
HD3
.65
2
16995
76
LYS
HD3
.65
2
16674
58
LYS
HD3
.651
2
18388
37
LYS
HD3
.655
2
25611
50
LYS
HD3
.656
2
4193
23
LYS
HD3
.66
2
4079
56
LYS
HD3
.66
2
6073
27
LYS
HD3
.66
.
6799
69
LYS
HD3
.66
2
18389
76
LYS
HD3
.66
2
4893
83
LYS
HD3
.66
2
15961
73
LYS
HD3
.66
2
11118
51
LYS
HD3
.66
2
16316
24
LYS
HD3
.66
2
16163
72
LYS
HD3
.661
1
15086
11
LYS
HD3
.662
2
18672
48
LYS
HD3
.664
1
11147
148
LYS
HD3
.665
2
17523
153
LYS
HD3
.665
2
18455
13
LYS
HD3
.666
2
15322
74
LYS
HD3
.668
2
6303
39
LYS
HD3
.67
1
4115
4
LYS
HD3
.67
1
19752
47
LYS
HD3
.67
2
4435
100
LYS
HD3
.67
2
18615
66
LYS
HD3
.67
2
5950
36
LYS
HD3
.67
1
4878
67
LYS
HD3
.67
2
10313
12
LYS
HD3
.671
2
6873
257
LYS
HD3
.672
2
15577
8
LYS
HD3
.676
2
16163
85
LYS
HD3
.676
1
18124
16
LYS
HD3
.676
2
17997
35
LYS
HD3
.676
2
19317
16
LYS
HD3
.676
2
25979
11
LYS
HD3
.678
2
18508
43
LYS
HD3
.678
2
17428
144
LYS
HD3
.678
2
4373
29
LYS
HD3
.68
1
19854
60
LYS
HD3
.683
2
17822
118
LYS
HD3
.686
2
5947
77
LYS
HD3
.687
2
4700
96
LYS
HD3
.689
2
4682
41
LYS
HD3
.69
.
25828
10
LYS
HD3
.69
2
4305
90
LYS
HD3
.69
1
5366
40
LYS
HD3
.69
2
4912
87
LYS
HD3
.69
1
25833
10
LYS
HD3
.69
2
6742
122
LYS
HD3
.692
.
19638
84
LYS
HD3
.692
.
10251
20
LYS
HD3
.694
2
25995
30
LYS
HD3
.694
2
30100
84
LYS
HD3
.695
.
7304
63
LYS
HD3
.696
2
11089
24
LYS
HD3
.697
2
5499
14
LYS
HD3
.698
.
25039
101
LYS
HD3
.699
.
4858
29
LYS
HD3
.7
2
4562
33
LYS
HD3
.7
2
4317
62
LYS
HD3
.7
1
6469
49
LYS
HD3
.702
2
10279
14
LYS
HD3
.702
2
17112
47
LYS
HD3
.7039
2
25797
21
LYS
HD3
.707
2
15645
11
LYS
HD3
.71
2
17979
35
LYS
HD3
.71
2
11208
47
LYS
HD3
.711
2
16164
82
LYS
HD3
.711
2
18346
46
LYS
HD3
.711
2
18277
63
LYS
HD3
.713
2
26801
85
LYS
HD3
.714
2
18489
75
LYS
HD3
.714
2
6606
26
LYS
HD3
.7161
1
36027
45
LYS
HD3
.718
2
4424
40
LYS
HD3
.72
1
6902
16
LYS
HD3
.72
1
6844
62
LYS
HD3
.72
2
16913
71
LYS
HD3
.72
2
7243
66
LYS
HD3
.722
2
17233
78
LYS
HD3
.724
2
25102
46
LYS
HD3
.726
2
6159
104
LYS
HD3
.728
2
16063
85
LYS
HD3
.73
2
15593
59
LYS
HD3
.73
2
17200
123
LYS
HD3
.73
2
5060
92
LYS
HD3
.73
2
15536
54
LYS
HD3
.73
2
6854
10
LYS
HD3
.73
2
4972
45
LYS
HD3
.73
2
5615
70
LYS
HD3
.73
2
25042
72
LYS
HD3
.732
1
15734
36
LYS
HD3
.732
2
10249
20
LYS
HD3
.735
2
15483
71
LYS
HD3
.735
2
17927
31
LYS
HD3
.735
2
16617
96
LYS
HD3
.736
.
5991
104
LYS
HD3
.738
2
10047
19
LYS
HD3
.738
2
11032
79
LYS
HD3
.738
2
19329
29
LYS
HD3
.74
2
27353
115
LYS
HD3
.74
1
6302
43
LYS
HD3
.74
1
7105
135
LYS
HD3
.74
2
34104
72
LYS
HD3
.74
.
4424
39
LYS
HD3
.74
1
6222
13
LYS
HD3
.74
2
34103
72
LYS
HD3
.74
.
19001
31
LYS
HD3
.744
9
10100
70
LYS
HD3
.745
2
11457
82
LYS
HD3
.746
2
17456
71
LYS
HD3
.747
2
15595
135
LYS
HD3
.747
2
7105
51
LYS
HD3
.748
2
16425
77
LYS
HD3
.749
2
18393
7
LYS
HD3
.75
2
15085
65
LYS
HD3
.751
2
18320
72
LYS
HD3
.751
2
16231
82
LYS
HD3
.752
2
6999
3
LYS
HD3
.752
1
19502
75
LYS
HD3
.753
1
16109
50
LYS
HD3
.753
2
25242
36
LYS
HD3
.753
1
18498
23
LYS
HD3
.754
2
15851
74
LYS
HD3
.757
2
6322
35
LYS
HD3
.758
1
5128
24
LYS
HD3
.76
4
34326
226
LYS
HD3
.76
.
18356
100
LYS
HD3
.76
1
16945
96
LYS
HD3
.76
2
30421
125
LYS
HD3
.76
2
4553
109
LYS
HD3
.76
1
6615
20
LYS
HD3
.76
1
4860
104
LYS
HD3
.76
2
19710
15
LYS
HD3
.761
2
18187
68
LYS
HD3
.761
2
30239
16
LYS
HD3
.762
1
19299
45
LYS
HD3
.764
1
26553
94
LYS
HD3
.765
2
11033
81
LYS
HD3
.766
2
17421
50
LYS
HD3
.767
2
15074
45
LYS
HD3
.768
2
34139
22
LYS
HD3
0
.
36136
35
LYS
HD3
0
.