LYS HD2 Chemical Shift Outliers

___________________________________________________
LYS HD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
21764
1.606
-.917
7.71
0.216


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15405
36
LYS
HD2
2.258
1
6086
74
LYS
HD2
2.263
2
15989
11
LYS
HD2
2.28
2
6004
144
LYS
HD2
2.28
1
5970
107
LYS
HD2
2.287
2
17717
95
LYS
HD2
2.29
2
17160
73
LYS
HD2
2.29
1
5242
68
LYS
HD2
2.291
1
4821
53
LYS
HD2
2.293
1
15545
70
LYS
HD2
2.295
.
11298
34
LYS
HD2
2.307
2
6272
54
LYS
HD2
2.31
1
6189
77
LYS
HD2
2.311
1
6620
140
LYS
HD2
2.319
2
4010
49
LYS
HD2
2.32
1
16630
30
LYS
HD2
2.328
2
11299
62
LYS
HD2
2.332
1
16567
73
LYS
HD2
2.347
2
17988
8
LYS
HD2
2.356
2
4288
13
LYS
HD2
2.38
2
15554
14
LYS
HD2
2.386
2
16874
113
LYS
HD2
2.389
2
6050
18
LYS
HD2
2.437
1
15281
6
LYS
HD2
2.438
2
4999
16
LYS
HD2
2.44
2
11008
32
LYS
HD2
2.445
2
6299
49
LYS
HD2
2.448
2
11008
17
LYS
HD2
2.454
2
4159
23
LYS
HD2
2.458
1
15578
129
LYS
HD2
2.465
2
20127
6
LYS
HD2
2.47
2
15232
64
LYS
HD2
2.476
1
4080
87
LYS
HD2
2.48
2
11298
14
LYS
HD2
2.483
1
18302
75
LYS
HD2
2.489
1
11298
9
LYS
HD2
2.491
1
11298
11
LYS
HD2
2.493
1
20127
11
LYS
HD2
2.52
2
5624
148
LYS
HD2
2.61
4
4207
56
LYS
HD2
2.62
2
11008
12
LYS
HD2
2.627
2
5506
101
LYS
HD2
2.67
1
6188
41
LYS
HD2
2.68
2
1991
50
LYS
HD2
2.7
1
4651
21
LYS
HD2
2.73
.
6762
38
LYS
HD2
2.75
.
6762
38
LYS
HD2
2.75
.
4651
6
LYS
HD2
2.76
.
5506
67
LYS
HD2
2.79
1
4559
49
LYS
HD2
2.81
.
5235
56
LYS
HD2
2.83
1
5866
3
LYS
HD2
2.83
1
15487
46
LYS
HD2
2.836
.
6380
102
LYS
HD2
2.85
2
48
46
LYS
HD2
2.85
1
5328
84
LYS
HD2
2.858
1
4404
11
LYS
HD2
2.87
2
16608
28
LYS
HD2
2.91
.
4249
118
LYS
HD2
2.91
2
16608
64
LYS
HD2
2.91
.
18732
35
LYS
HD2
2.913
1
4179
5
LYS
HD2
2.93
1
15981
149
LYS
HD2
2.935
2
16694
85
LYS
HD2
2.939
2
1495
6
LYS
HD2
2.96
1
10267
53
LYS
HD2
2.963
2
4179
10
LYS
HD2
2.97
1
5994
10
LYS
HD2
2.979
2
1495
63
LYS
HD2
2.98
1
15325
87
LYS
HD2
3
.
7153
1
LYS
HD2
3
.
4670
99
LYS
HD2
3
.
17505
58
LYS
HD2
3.014
2
5952
70
LYS
HD2
3.02
1
1495
16
LYS
HD2
3.02
1
15421
27
LYS
HD2
3.02
1
7153
13
LYS
HD2
3.02
.
1495
69
LYS
HD2
3.02
1
4010
97
LYS
HD2
3.05
1
4207
32
LYS
HD2
3.06
2
1495
37
LYS
HD2
3.07
1
6576
38
LYS
HD2
3.1
1
6576
38
LYS
HD2
3.1
1
5203
22
LYS
HD2
3.14
1
4207
39
LYS
HD2
3.18
2
2281
63
LYS
HD2
3.18
1
7153
13
LYS
HD2
3.19
.
4948
70
LYS
HD2
7.71
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10123
18
LYS
HD2
-.098
2
5963
18
LYS
HD2
-.102
1
10255
10
LYS
HD2
-.187
2
5499
14
LYS
HD2
-.243
.
17325
109
LYS
HD2
-.31
2
10295
40
LYS
HD2
-.372
2
10251
20
LYS
HD2
-.384
2
18011
199
LYS
HD2
-.444
2
5299
40
LYS
HD2
-.61
2
10313
12
LYS
HD2
-.672
2
16141
36
LYS
HD2
-.68
.
18489
75
LYS
HD2
-.917
2
16082
82
LYS
HD2
.043
2
15577
8
LYS
HD2
.103
2
16175
120
LYS
HD2
.104
2
4869
73
LYS
HD2
.11
2
16164
46
LYS
HD2
.134
2
18916
68
LYS
HD2
.139
2
5991
79
LYS
HD2
.139
2
5738
23
LYS
HD2
.15
2
5009
98
LYS
HD2
.161
.
5844
65
LYS
HD2
.173
2
16372
35
LYS
HD2
.174
2
18389
76
LYS
HD2
.179
2
18130
55
LYS
HD2
.259
2
5810
107
LYS
HD2
.26
1
18277
63
LYS
HD2
.262
2
7224
10
LYS
HD2
.27
2
11304
57
LYS
HD2
.293
2
7123
38
LYS
HD2
.306
1
16832
124
LYS
HD2
.32
.
4424
48
LYS
HD2
.32
1
7036
54
LYS
HD2
.349
2
11108
74
LYS
HD2
.353
2
15536
54
LYS
HD2
.368
2
4639
50
LYS
HD2
.389
1
15684
144
LYS
HD2
.389
.
16801
40
LYS
HD2
.39
2
16569
45
LYS
HD2
.402
2
16463
36
LYS
HD2
.419
2
17319
111
LYS
HD2
.423
2
4574
44
LYS
HD2
.43
1
15322
74
LYS
HD2
.431
2
17806
101
LYS
HD2
.453
2
5539
49
LYS
HD2
.46
1
1875
133
LYS
HD2
.46
1
6256
94
LYS
HD2
.47
2
15458
72
LYS
HD2
.49
1
17250
140
LYS
HD2
.49
2
6731
60
LYS
HD2
.49
2
7203
26
LYS
HD2
.491
.
15615
72
LYS
HD2
.493
1
15092
79
LYS
HD2
.494
2
16072
8
LYS
HD2
.5
2
15358
40
LYS
HD2
.502
2
15330
40
LYS
HD2
.502
2
4893
83
LYS
HD2
.51
2
6525
7
LYS
HD2
.515
4
18346
109
LYS
HD2
.521
2
16175
115
LYS
HD2
.522
2
11094
20
LYS
HD2
.528
2
4722
127
LYS
HD2
.53
2
16018
74
LYS
HD2
.534
1
19398
53
LYS
HD2
.534
1
6479
56
LYS
HD2
.539
2
16252
30
LYS
HD2
.542
2
11457
82
LYS
HD2
.543
2
6003
66
LYS
HD2
.545
2
17005
122
LYS
HD2
.548
2
16384
61
LYS
HD2
.55
2
11143
114
LYS
HD2
.555
2
16498
10
LYS
HD2
.56
2
18664
32
LYS
HD2
.562
1
10144
124
LYS
HD2
.568
2
17827
81
LYS
HD2
.57
1
15483
71
LYS
HD2
.576
2
18152
112
LYS
HD2
.576
2
18839
98
LYS
HD2
.58
1
7371
39
LYS
HD2
.589
2
18507
43
LYS
HD2
.603
2
18632
55
LYS
HD2
.604
2
18632
55
LYS
HD2
.604
2
7242
8
LYS
HD2
.62
2
4562
33
LYS
HD2
.62
2
18471
14
LYS
HD2
.622
2
17026
51
LYS
HD2
.627
2
11010
96
LYS
HD2
.629
1
19329
29
LYS
HD2
.63
2
7160
33
LYS
HD2
.63
.
4973
32
LYS
HD2
.63
2
11057
93
LYS
HD2
.632
1
17997
17
LYS
HD2
.633
2
18183
78
LYS
HD2
.638
2
18349
42
LYS
HD2
.639
2
6222
13
LYS
HD2
.64
2
6902
16
LYS
HD2
.64
1
18346
46
LYS
HD2
.643
2
10267
21
LYS
HD2
.644
2
17705
51
LYS
HD2
.646
2
17288
102
LYS
HD2
.648
1
16995
76
LYS
HD2
.65
2
17979
17
LYS
HD2
.65
2
15385
21
LYS
HD2
.651
2
6854
10
LYS
HD2
.66
2
5206
34
LYS
HD2
.66
1
16629
140
LYS
HD2
.661
2
15371
7
LYS
HD2
.665
2
15927
169
LYS
HD2
.666
2
10107
105
LYS
HD2
.668
2
5975
21
LYS
HD2
.669
2
6303
39
LYS
HD2
.67
1
4670
117
LYS
HD2
.67
.
6799
69
LYS
HD2
.67
2
15763
73
LYS
HD2
.67
2
18317
95
LYS
HD2
.67
1
11061
180
LYS
HD2
.675
2
17257
46
LYS
HD2
.676
2
4092
96
LYS
HD2
.68
2
7002
4
LYS
HD2
.68
2
4721
9
LYS
HD2
.68
2
4562
1
LYS
HD2
.68
2
4969
98
LYS
HD2
.68
2
16362
168
LYS
HD2
.68
2
17822
118
LYS
HD2
.686
2
18320
72
LYS
HD2
.686
2
6137
65
LYS
HD2
.687
2
16630
168
LYS
HD2
.689
2
15427
21
LYS
HD2
.69
2
4305
90
LYS
HD2
.69
1
5068
34
LYS
HD2
.69
2
5222
55
LYS
HD2
.69
4
10164
48
LYS
HD2
.694
2
4317
62
LYS
HD2
.7
1
18389
37
LYS
HD2
.7
2
5803
34
LYS
HD2
.71
2
19049
57
LYS
HD2
.71
2
5975
21
LYS
HD2
.71
2
10316
85
LYS
HD2
.71
2
5804
34
LYS
HD2
.71
2
16164
82
LYS
HD2
.711
2
6705
97
LYS
HD2
.713
.
15128
45
LYS
HD2
.718
2
4931
87
LYS
HD2
.72
1
16913
71
LYS
HD2
.72
2
4424
40
LYS
HD2
.72
1
15028
4
LYS
HD2
.724
2
17233
78
LYS
HD2
.724
2
6322
35
LYS
HD2
.726
1
7025
46
LYS
HD2
.728
2
19195
15
LYS
HD2
.73
2
4079
56
LYS
HD2
.73
2
17002
69
LYS
HD2
.738
2
17523
153
LYS
HD2
.739
2
6052
96
LYS
HD2
.74
2
18048
24
LYS
HD2
.74
2
16072
49
LYS
HD2
.74
2
4424
39
LYS
HD2
.74
1
6302
43
LYS
HD2
.74
1
17736
21
LYS
HD2
.74
2
4121
54
LYS
HD2
.74
2
19001
31
LYS
HD2
.744
9
11417
52
LYS
HD2
.744
2
5667
40
LYS
HD2
.748
.
16425
77
LYS
HD2
.749
2
17038
14
LYS
HD2
.75
2
16163
72
LYS
HD2
.751
1
15939
59
LYS
HD2
.756
2
6759
132
LYS
HD2
.758
.
6615
20
LYS
HD2
.76
1
5789
75
LYS
HD2
.76
2
4878
67
LYS
HD2
.76
2
5128
24
LYS
HD2
.76
4
5078
8
LYS
HD2
.76
2
11305
35
LYS
HD2
.763
2
11101
34
LYS
HD2
.765
2
16992
128
LYS
HD2
.767
1
5701
115
LYS
HD2
.768
2
16442
105
LYS
HD2
.77
2
15938
12
LYS
HD2
.772
2
17191
61
LYS
HD2
.775
2
10039
84
LYS
HD2
.776
2
15061
80
LYS
HD2
.779
2
15800
63
LYS
HD2
.78
2
15020
78
LYS
HD2
.78
2
4052
133
LYS
HD2
.78
.
16832
127
LYS
HD2
.78
.
6538
101
LYS
HD2
.78
2
4901
53
LYS
HD2
.78
1
4081
133
LYS
HD2
.78
2
11215
23
LYS
HD2
.787
2
11093
33
LYS
HD2
.789
2
10313
19
LYS
HD2
.792
1
2049
32
LYS
HD2
.792
2
16382
58
LYS
HD2
.793
1
6829
57
LYS
HD2
.795
2
18788
133
LYS
HD2
.8
2
5506
66
LYS
HD2
.8
1
6159
104
LYS
HD2
.8
2
16472
94
LYS
HD2
.803
2
10280
16
LYS
HD2
.804
2
18455
13
LYS
HD2
.805
2
6563
4
LYS
HD2
.81
2
5251
46
LYS
HD2
.81
1
5004
89
LYS
HD2
.81
2
6202
74
LYS
HD2
.81
2
18000
28
LYS
HD2
.81
2
16016
79
LYS
HD2
.812
2
7105
51
LYS
HD2
.815
2
18709
56
LYS
HD2
.819
2
18474
16
LYS
HD2
.82
2
5241
93
LYS
HD2
.82
1
16164
27
LYS
HD2
.82
2
16571
78
LYS
HD2
.82
2
4010
64
LYS
HD2
.82
1
11171
25
LYS
HD2
.824
1
7323
4
LYS
HD2
.826
1
16321
48
LYS
HD2
.828
2
5499
82
LYS
HD2
.83
.
4843
89
LYS
HD2
.83
1
15750
9
LYS
HD2
.83
2
6226
57
LYS
HD2
.83
1
17481
96
LYS
HD2
.831
1
1876
28
LYS
HD2
.84
1
1696
140
LYS
HD2
.84
2
4010
24
LYS
HD2
.84
1
4282
129
LYS
HD2
.84
2
16163
78
LYS
HD2
.843
1
18433
37
LYS
HD2
.845
.
15616
122
LYS
HD2
.845
1
10290
58
LYS
HD2
.846
2
15627
64
LYS
HD2
.846
2
10273
69
LYS
HD2
.848
1
18334
18
LYS
HD2
.848
1
17169
26
LYS
HD2
.849
2
55
32
LYS
HD2
.85
2
6004
152
LYS
HD2
.85
1
15167
38
LYS
HD2
.85
2
5128
48
LYS
HD2
.85
4
16731
67
LYS
HD2
.851
2
10273
17
LYS
HD2
.851
2
18573
18
LYS
HD2
.86
2
18788
9
LYS
HD2
.86
2
16139
21
LYS
HD2
.86
.
6615
91
LYS
HD2
.86
1
10324
74
LYS
HD2
.86
2
15578
32
LYS
HD2
.861
2
15537
18
LYS
HD2
.861
1
4639
34
LYS
HD2
.866
2
6635
101
LYS
HD2
.867
1
16382
11
LYS
HD2
.869
1
16691
98
LYS
HD2
.87
2
10329
65
LYS
HD2
.87
2
481
9
LYS
HD2
.87
1
5349
56
LYS
HD2
.87
2
480
9
LYS
HD2
.87
1
7281
13
LYS
HD2
.87
2
11507
145
LYS
HD2
.87
1
5978
26
LYS
HD2
.87
1
5928
66
LYS
HD2
.87
2
7194
15
LYS
HD2
.871
2
19001
107
LYS
HD2
.871
9
18637
88
LYS
HD2
.875
2
17691
50
LYS
HD2
.878
2
16216
64
LYS
HD2
.88
2
4973
14
LYS
HD2
.88
2
15829
68
LYS
HD2
.88
2
10047
19
LYS
HD2
.882
2
15615
202
LYS
HD2
.882
1
16653
76
LYS
HD2
.886
2
18013
9
LYS
HD2
.886
2
6526
5
LYS
HD2
.8866163
2
11107
29
LYS
HD2
.887
2
4779
89
LYS
HD2
.89
2
15431
38
LYS
HD2
.89
1
18013
133
LYS
HD2
.892
2
5410
13
LYS
HD2
.893
2
6469
49
LYS
HD2
.894
2
18431
22
LYS
HD2
.895
.
16685
104
LYS
HD2
.895
2
17289
74
LYS
HD2
.895
2
17879
100
LYS
HD2
.897
2
15245
25
LYS
HD2
.898
1
17202
113
LYS
HD2
.898
1
10255
16
LYS
HD2
.898
2
16154
49
LYS
HD2
.9
2
4052
9
LYS
HD2
.9
.
16051
49
LYS
HD2
.9
2
11132
58
LYS
HD2
.9
2
4721
21
LYS
HD2
.9
1
15288
96
LYS
HD2
.9
2
17194
11
LYS
HD2
.9
1
5404
15
LYS
HD2
.902
2
7105
135
LYS
HD2
.905
2
6004
22
LYS
HD2
.91
1
5627
65
LYS
HD2
.91
1
280
20
LYS
HD2
.91
2
4722
64
LYS
HD2
.91
1
4403
10
LYS
HD2
.91
1
5222
60
LYS
HD2
.91
4
15212
73
LYS
HD2
.91
1
10334
83
LYS
HD2
.91
2
10250
52
LYS
HD2
.91
2
6916
18
LYS
HD2
.911
2
19047
147
LYS
HD2
.912
1
19047
147
LYS
HD2
.914
1
6159
187
LYS
HD2
.914
2
10142
84
LYS
HD2
.915
2
5753
41
LYS
HD2
.917
1
18115
60
LYS
HD2
.92
2
4812
26
LYS
HD2
.92
2
6242
33
LYS
HD2
.92
2
4587
33
LYS
HD2
.92
2
4110
69
LYS
HD2
.92
1
19048
147
LYS
HD2
.921
1
6895
69
LYS
HD2
.922
2
10060
64
LYS
HD2
.924
2
17840
18
LYS
HD2
.925
1
19048
147
LYS
HD2
.925
1
15595
135
LYS
HD2
.925
2
18002
48
LYS
HD2
.926
2
5662
99
LYS
HD2
.93
.
16832
110
LYS
HD2
.93
.
5175
6
LYS
HD2
.93
1
1500
25
LYS
HD2
.93
1
6454
74
LYS
HD2
.93
1
11080
94
LYS
HD2
.931
2
5950
36
LYS
HD2
.935
1
17825
45
LYS
HD2
.936
2
4891
48
LYS
HD2
.937
2
15603
28
LYS
HD2
.938
2
19061
30
LYS
HD2
.938
.
5767
33
LYS
HD2
.939
2
6280
31
LYS
HD2
.939
2
5060
92
LYS
HD2
.94
2
17841
18
LYS
HD2
.941
1
6096
87
LYS
HD2
.9416
2
16617
96
LYS
HD2
.942
.
6525
6
LYS
HD2
.9424
4
6280
116
LYS
HD2
.943
1
15074
45
LYS
HD2
.943
2
11197
74
LYS
HD2
.944
2
10251
26
LYS
HD2
.945
2
18183
63
LYS
HD2
.946
2
15085
65
LYS
HD2
.947
2
15722
102
LYS
HD2
.947
2
17160
36
LYS
HD2
.95
1
16958
31
LYS
HD2
.952
2
15851
74
LYS
HD2
.956
2
15458
89
LYS
HD2
.956
1
15458
90
LYS
HD2
.956
1
4931
9
LYS
HD2
.957
1
16000
42
LYS
HD2
.958
.