LYS HD3 Chemical Shift Outliers

___________________________________________________
LYS HD3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
19360
1.596
-1.016
3.193
0.220


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6726
39
LYS
HD3
2.259
2
6004
144
LYS
HD3
2.28
1
4918
79
LYS
HD3
2.29
2
4821
53
LYS
HD3
2.293
1
5189
62
LYS
HD3
2.31
2
6272
54
LYS
HD3
2.31
1
4010
49
LYS
HD3
2.32
1
11299
62
LYS
HD3
2.332
1
17642
9
LYS
HD3
2.3425
2
4285
26
LYS
HD3
2.35
1
17988
8
LYS
HD3
2.356
2
16874
113
LYS
HD3
2.389
2
16335
17
LYS
HD3
2.434
2
6050
18
LYS
HD3
2.437
1
4159
23
LYS
HD3
2.458
1
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
2282
8
LYS
HD3
2.53
2
6147
88
LYS
HD3
2.573
1
2282
7
LYS
HD3
2.58
2
5624
148
LYS
HD3
2.61
4
16630
30
LYS
HD3
2.645
2
5506
101
LYS
HD3
2.67
1
1991
50
LYS
HD3
2.7
1
4651
21
LYS
HD3
2.73
.
4651
6
LYS
HD3
2.76
.
4559
49
LYS
HD3
2.81
.
5235
56
LYS
HD3
2.83
1
5866
3
LYS
HD3
2.83
1
48
46
LYS
HD3
2.85
1
5328
84
LYS
HD3
2.858
1
7286
72
LYS
HD3
2.895
2
16390
36
LYS
HD3
2.9
2
16608
64
LYS
HD3
2.91
.
16608
28
LYS
HD3
2.91
.
18732
35
LYS
HD3
2.913
1
4179
5
LYS
HD3
2.93
1
15981
149
LYS
HD3
2.935
2
15487
46
LYS
HD3
2.948
.
4678
7
LYS
HD3
2.95
.
1495
6
LYS
HD3
2.96
1
4179
10
LYS
HD3
2.97
1
1495
63
LYS
HD3
2.98
1
7153
1
LYS
HD3
3
.
5804
14
LYS
HD3
3.02
2
1495
69
LYS
HD3
3.02
1
7153
13
LYS
HD3
3.02
.
5952
70
LYS
HD3
3.02
1
1495
16
LYS
HD3
3.02
1
5662
33
LYS
HD3
3.03
.
6415
14
LYS
HD3
3.03
2
7160
13
LYS
HD3
3.03
.
5068
14
LYS
HD3
3.03
2
5803
14
LYS
HD3
3.03
2
4010
97
LYS
HD3
3.05
1
1495
37
LYS
HD3
3.07
1
6576
38
LYS
HD3
3.1
1
6576
38
LYS
HD3
3.1
1
2281
63
LYS
HD3
3.18
1
7153
13
LYS
HD3
3.19
.
17505
58
LYS
HD3
3.193
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
.
18990
93
LYS
HD3
-.088
2
18642
20
LYS
HD3
-.098
2
5963
18
LYS
HD3
-.102
1
5991
79
LYS
HD3
-.148
2
10295
40
LYS
HD3
-.149
2
17325
109
LYS
HD3
-.283
2
18916
68
LYS
HD3
-.451
2
10267
21
LYS
HD3
-.567
2
11304
57
LYS
HD3
-.911
2
17191
61
LYS
HD3
-.955
2
5844
65
LYS
HD3
-1.016
2
18130
55
LYS
HD3
.011
2
18878
19
LYS
HD3
.025
2
4884
61
LYS
HD3
.03
2
18478
18
LYS
HD3
.0423
2
16686
36
LYS
HD3
.092
2
6731
60
LYS
HD3
.102
2
17250
140
LYS
HD3
.102
2
17827
81
LYS
HD3
.105
1
5349
56
LYS
HD3
.12
2
6603
134
LYS
HD3
.125
2
16164
46
LYS
HD3
.134
2
7203
26
LYS
HD3
.141
.
16372
35
LYS
HD3
.174
2
16569
45
LYS
HD3
.202
2
17806
101
LYS
HD3
.223
2
7371
39
LYS
HD3
.248
2
19047
147
LYS
HD3
.262
1
19047
147
LYS
HD3
.279
1
4121
54
LYS
HD3
.28
2
5578
40
LYS
HD3
.3
.
19048
147
LYS
HD3
.302
1
16082
82
LYS
HD3
.302
2
10282
65
LYS
HD3
.306
2
7123
38
LYS
HD3
.306
1
16992
128
LYS
HD3
.309
1
5319
41
LYS
HD3
.31
1
10107
82
LYS
HD3
.312
2
18906
61
LYS
HD3
.317
.
4424
48
LYS
HD3
.32
1
15530
76
LYS
HD3
.34
2
4455
9
LYS
HD3
.35
2
10280
16
LYS
HD3
.353
2
7242
8
LYS
HD3
.357
2
5539
49
LYS
HD3
.37
1
19049
57
LYS
HD3
.38
2
5048
41
LYS
HD3
.38
1
4080
23
LYS
HD3
.38
2
16018
74
LYS
HD3
.381
1
4639
50
LYS
HD3
.389
1
15684
144
LYS
HD3
.389
.
16141
36
LYS
HD3
.4
.
4081
133
LYS
HD3
.4
2
5222
60
LYS
HD3
.4
4
7025
46
LYS
HD3
.407
2
18011
199
LYS
HD3
.415
2
15800
63
LYS
HD3
.42
2
10107
105
LYS
HD3
.422
2
4574
44
LYS
HD3
.43
1
15553
92
LYS
HD3
.44
1
7063
25
LYS
HD3
.446
2
10290
58
LYS
HD3
.446
2
1875
133
LYS
HD3
.46
1
5667
40
LYS
HD3
.465
.
10164
48
LYS
HD3
.473
2
16163
78
LYS
HD3
.474
1
4969
98
LYS
HD3
.48
2
15922
91
LYS
HD3
.493
2
6693
116
LYS
HD3
.496
2
11107
29
LYS
HD3
.498
2
15020
78
LYS
HD3
.498
2
15616
122
LYS
HD3
.503
1
5565
63
LYS
HD3
.51
2
6525
7
LYS
HD3
.515
4
7036
54
LYS
HD3
.52
2
7194
15
LYS
HD3
.522
2
15549
54
LYS
HD3
.522
2
18346
76
LYS
HD3
.526
2
18048
24
LYS
HD3
.53
2
7281
13
LYS
HD3
.53
2
11061
180
LYS
HD3
.531
2
19398
53
LYS
HD3
.534
1
16832
124
LYS
HD3
.54
.
16472
94
LYS
HD3
.541
2
15615
202
LYS
HD3
.541
1
16252
30
LYS
HD3
.542
2
10316
85
LYS
HD3
.546
2
17005
122
LYS
HD3
.548
2
16030
61
LYS
HD3
.55
2
17816
22
LYS
HD3
.552
2
11417
52
LYS
HD3
.553
2
16021
87
LYS
HD3
.561
2
18664
32
LYS
HD3
.562
1
11073
87
LYS
HD3
.563
2
11095
20
LYS
HD3
.58
2
4670
117
LYS
HD3
.58
.
15020
25
LYS
HD3
.581
2
10145
134
LYS
HD3
.584
2
5105
23
LYS
HD3
.6
2
7323
4
LYS
HD3
.6
1
16791
18
LYS
HD3
.601
2
18507
43
LYS
HD3
.603
2
5803
34
LYS
HD3
.61
2
5807
97
LYS
HD3
.61
2
6759
132
LYS
HD3
.615
.
15603
28
LYS
HD3
.617
2
5068
34
LYS
HD3
.62
2
7160
33
LYS
HD3
.62
.
18471
14
LYS
HD3
.622
2
16568
55
LYS
HD3
.628
2
10273
17
LYS
HD3
.628
2
5804
34
LYS
HD3
.63
2
17997
17
LYS
HD3
.633
2
10255
16
LYS
HD3
.635
2
15939
59
LYS
HD3
.638
2
18349
42
LYS
HD3
.639
2
17288
102
LYS
HD3
.648
1
16995
76
LYS
HD3
.65
2
17979
17
LYS
HD3
.65
2
4079
56
LYS
HD3
.66
2
18389
76
LYS
HD3
.66
2
4893
83
LYS
HD3
.66
2
6073
27
LYS
HD3
.66
.
6799
69
LYS
HD3
.66
2
16163
72
LYS
HD3
.661
1
17523
153
LYS
HD3
.665
2
18455
13
LYS
HD3
.666
2
15322
74
LYS
HD3
.668
2
5950
36
LYS
HD3
.67
1
4878
67
LYS
HD3
.67
2
6303
39
LYS
HD3
.67
1
10313
12
LYS
HD3
.671
2
19317
16
LYS
HD3
.676
2
15577
8
LYS
HD3
.676
2
16163
85
LYS
HD3
.676
1
17997
35
LYS
HD3
.676
2
17428
144
LYS
HD3
.678
2
17822
118
LYS
HD3
.686
2
4305
90
LYS
HD3
.69
1
10251
20
LYS
HD3
.694
2
7304
63
LYS
HD3
.696
2
5499
14
LYS
HD3
.698
.
4562
33
LYS
HD3
.7
2
4317
62
LYS
HD3
.7
1
4858
29
LYS
HD3
.7
2
6469
49
LYS
HD3
.702
2
17112
47
LYS
HD3
.7039
2
15645
11
LYS
HD3
.71
2
17979
35
LYS
HD3
.71
2
18346
46
LYS
HD3
.711
2
16164
82
LYS
HD3
.711
2
18277
63
LYS
HD3
.713
2
18489
75
LYS
HD3
.714
2
4424
40
LYS
HD3
.72
1
16913
71
LYS
HD3
.72
2
6902
16
LYS
HD3
.72
1
7243
66
LYS
HD3
.722
2
17233
78
LYS
HD3
.724
2
6159
104
LYS
HD3
.728
2
5060
92
LYS
HD3
.73
2
4972
45
LYS
HD3
.73
2
6854
10
LYS
HD3
.73
2
15536
54
LYS
HD3
.73
2
17927
31
LYS
HD3
.735
2
15483
71
LYS
HD3
.735
2
16617
96
LYS
HD3
.736
.
10047
19
LYS
HD3
.738
2
5991
104
LYS
HD3
.738
2
11032
79
LYS
HD3
.738
2
4424
39
LYS
HD3
.74
1
19329
29
LYS
HD3
.74
2
7105
135
LYS
HD3
.74
2
6302
43
LYS
HD3
.74
1
6222
13
LYS
HD3
.74
2
19001
31
LYS
HD3
.744
9
11457
82
LYS
HD3
.746
2
15595
135
LYS
HD3
.747
2
7105
51
LYS
HD3
.748
2
16425
77
LYS
HD3
.749
2
18320
72
LYS
HD3
.751
2
15085
65
LYS
HD3
.751
2
16231
82
LYS
HD3
.752
2
16109
50
LYS
HD3
.753
2
15851
74
LYS
HD3
.757
2
6322
35
LYS
HD3
.758
1
6615
20
LYS
HD3
.76
1
4860
104
LYS
HD3
.76
2
5128
24
LYS
HD3
.76
4
18187
68
LYS
HD3
.761
2
11033
81
LYS
HD3
.766
2
15074
45
LYS
HD3
.768
2
5707
25
LYS
HD3
.77
2
4149
79
LYS
HD3
.77
2
17481
96
LYS
HD3
.771
1
15991
103
LYS
HD3
.778
2
18540
105
LYS
HD3
.779
1
15061
80
LYS
HD3
.779
2
16832
127
LYS
HD3
.78
.
4901
53
LYS
HD3
.78
1
18541
105
LYS
HD3
.783
1
6872
19
LYS
HD3
.784
.
18115
60
LYS
HD3
.787
2
10313
19
LYS
HD3
.792
1
4472
7
LYS
HD3
.8
2
16585
133
LYS
HD3
.8
2
10163
85
LYS
HD3
.802
2
6159
187
LYS
HD3
.805
2
6003
66
LYS
HD3
.807
2
18432
17
LYS
HD3
.809
.
6096
87
LYS
HD3
.809
2
5251
46
LYS
HD3
.81
1
6128
44
LYS
HD3
.81
2
6169
5
LYS
HD3
.811
2
16016
79
LYS
HD3
.812
2
7310
154
LYS
HD3
.814
2
18474
16
LYS
HD3
.82
2
4010
64
LYS
HD3
.82
1
16164
27
LYS
HD3
.82
2
5241
93
LYS
HD3
.82
1
6705
97
LYS
HD3
.821
.
11213
47
LYS
HD3
.824
2
11171
25
LYS
HD3
.824
1
15578
32
LYS
HD3
.827
2
11305
35
LYS
HD3
.828
2
5309
52
LYS
HD3
.83
2
5628
21
LYS
HD3
.83
2
4083
6
LYS
HD3
.83
2
6226
57
LYS
HD3
.83
1
10060
64
LYS
HD3
.831
2
17030
68
LYS
HD3
.837
2
16629
140
LYS
HD3
.838
2
1876
28
LYS
HD3
.84
1
15763
73
LYS
HD3
.84
2
4010
24
LYS
HD3
.84
1
16731
67
LYS
HD3
.84
2
11108
74
LYS
HD3
.841
2
17825
45
LYS
HD3
.844
2
15627
64
LYS
HD3
.846
2
18334
18
LYS
HD3
.848
1
11036
80
LYS
HD3
.848
2
10273
69
LYS
HD3
.848
1
17044
11
LYS
HD3
.85
2
5128
48
LYS
HD3
.85
4
6590
45
LYS
HD3
.85
2
6004
152
LYS
HD3
.85
1
16412
11
LYS
HD3
.85
2
11010
96
LYS
HD3
.851
1
7019
20
LYS
HD3
.855
2
4782
102
LYS
HD3
.86
2
6615
91
LYS
HD3
.86
1
15458
72
LYS
HD3
.861
1
15537
18
LYS
HD3
.861
1
18183
78
LYS
HD3
.863
2
16411
11
LYS
HD3
.866
2
18709
56
LYS
HD3
.866
2
6635
101
LYS
HD3
.867
1
15615
72
LYS
HD3
.867
1
481
9
LYS
HD3
.87
1
5978
26
LYS
HD3
.87
1
480
9
LYS
HD3
.87
1
11507
145
LYS
HD3
.87
1
6563
50
LYS
HD3
.874
2
10272
38
LYS
HD3
.874
2
4828
88
LYS
HD3
.88
.
15829
68
LYS
HD3
.88
2
18337
2
LYS
HD3
.881
2
6254
45
LYS
HD3
.881
2
6254
28
LYS
HD3
.881
2
16653
76
LYS
HD3
.886
2
6052
96
LYS
HD3
.89
2
16801
40
LYS
HD3
.89
2
16030
27
LYS
HD3
.89
2
11143
114
LYS
HD3
.891
2
16267
88
LYS
HD3
.892
2
17412
39
LYS
HD3
.895
2
16685
104
LYS
HD3
.895
2
17289
74
LYS
HD3
.895
2
17169
26
LYS
HD3
.897
2
15245
25
LYS
HD3
.898
1
17202
113
LYS
HD3
.898
1
10326
88
LYS
HD3
.898
2
1696
16
LYS
HD3
.9
2
16186
13
LYS
HD3
.9
2
4721
21
LYS
HD3
.9
1
17194
11
LYS
HD3
.9
1
6188
32
LYS
HD3
.9
2
7224
10
LYS
HD3
.9
2
4091
34
LYS
HD3
.9
2
5100
20
LYS
HD3
.9
2
4603
75
LYS
HD3
.9
2
10255
10
LYS
HD3
.904
2
18389
37
LYS
HD3
.905
2
15092
79
LYS
HD3
.905
2
19047
74
LYS
HD3
.907
1
19048
74
LYS
HD3
.909
1
6004
22
LYS
HD3
.91
1
4403
10
LYS
HD3
.91
1
10238
96
LYS
HD3
.91
2
16072
8
LYS
HD3
.91
2
5627
65
LYS
HD3
.91
1
4722
64
LYS
HD3
.91
1
10239
105
LYS
HD3
.913
2
11093
33
LYS
HD3
.914
2
10237
50
LYS
HD3
.916
2
10333
103
LYS
HD3
.917
2
10236
50
LYS
HD3
.919
2
4110
69
LYS
HD3
.92
1
4437
29
LYS
HD3
.92
2
10264
117
LYS
HD3
.92
2
6291
49
LYS
HD3
.92
2
10250
27
LYS
HD3
.923
2
17840
18
LYS
HD3
.925
1
10250
94
LYS
HD3
.925
2
18002
48
LYS
HD3
.926
2
15628
108
LYS
HD3
.929
2
4722
127
LYS
HD3
.93
2
16832
110
LYS
HD3
.93
.
4828
67
LYS
HD3
.93
.
6454
74
LYS
HD3
.93
1
15633
29
LYS
HD3
.93
2
5175
6
LYS
HD3
.93
1
17322
28
LYS
HD3
.93
2
1500
25
LYS
HD3
.93
1
15938
56
LYS
HD3
.93325
2
18411
64
LYS
HD3
.934
2
5753
41
LYS
HD3
.935
1