LYS HB3 Chemical Shift Outliers

___________________________________________________
LYS HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
12860
1.756
-.449
3.77
0.263


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
88
44
LYS
HB3
2.55
2
6526
110
LYS
HB3
2.57
2
4593
43
LYS
HB3
2.597
2
7220
53
LYS
HB3
2.61
2
5678
123
LYS
HB3
2.62
1
4948
52
LYS
HB3
2.63
2
5678
94
LYS
HB3
2.63
1
15048
120
LYS
HB3
2.65
2
4271
115
LYS
HB3
2.68
1
7064
30
LYS
HB3
2.702
1
15354
23
LYS
HB3
2.702
2
7064
14
LYS
HB3
2.708
1
6365
136
LYS
HB3
2.71
2
6826
31
LYS
HB3
2.716
2
7064
12
LYS
HB3
2.717
1
5233
69
LYS
HB3
2.78
1
4891
48
LYS
HB3
2.782
1
4797
125
LYS
HB3
2.79
2
4727
27
LYS
HB3
2.85
9
5970
88
LYS
HB3
2.851
2
9
13
LYS
HB3
3.19
2
5324
98
LYS
HB3
3.548
2
63
47
LYS
HB3
3.77
1


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
5349
56
LYS
HB3
-.06
2
4305
90
LYS
HB3
-.08
2
5069
117
LYS
HB3
-.22
2
6443
126
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
6454
74
LYS
HB3
-.3
2
5659
174
LYS
HB3
-.3
2
15061
41
LYS
HB3
-.322
2
4101
168
LYS
HB3
-.37
2
15280
30
LYS
HB3
-.409
1
6238
46
LYS
HB3
-.449
1
6159
37
LYS
HB3
.036
2
5077
48
LYS
HB3
.04
2
15002
68
LYS
HB3
.056
.
6004
96
LYS
HB3
.1
2
4920
68
LYS
HB3
.102
1
4878
27
LYS
HB3
.12
2
4428
56
LYS
HB3
.13
.
4779
89
LYS
HB3
.13
2
15377
56
LYS
HB3
.133
.
2049
32
LYS
HB3
.143
2
1093
116
LYS
HB3
.16
2
5013
74
LYS
HB3
.168
2
5628
126
LYS
HB3
.2
2
4869
73
LYS
HB3
.21
2
4697
51
LYS
HB3
.265
.
4948
64
LYS
HB3
.27
2
15536
54
LYS
HB3
.283
2
5461
67
LYS
HB3
.295
2
5461
67
LYS
HB3
.295
2
5006
64
LYS
HB3
.32
2
5988
64
LYS
HB3
.32
2
4210
44
LYS
HB3
.33
2
4878
44
LYS
HB3
.34
2
6075
4
LYS
HB3
.35
1
5222
55
LYS
HB3
.36
2
4938
41
LYS
HB3
.37
2
15097
197
LYS
HB3
.38
2
6563
4
LYS
HB3
.399
2
5025
64
LYS
HB3
.4
2
4572
68
LYS
HB3
.4
2
7022
104
LYS
HB3
.4
2
6854
10
LYS
HB3
.424
1
10027
53
LYS
HB3
.43
1
4022
213
LYS
HB3
.44
2
5844
65
LYS
HB3
.449
2
5991
79
LYS
HB3
.451
2
5529
45
LYS
HB3
.457
.
4638
44
LYS
HB3
.457
.
7286
107
LYS
HB3
.46
2
4424
39
LYS
HB3
.47
1
5667
40
LYS
HB3
.485
.
4782
102
LYS
HB3
.49
1
4335
31
LYS
HB3
.49
2
4878
67
LYS
HB3
.5
2
6432
71
LYS
HB3
.507
2
4070
112
LYS
HB3
.51
2
4342
28
LYS
HB3
.53
2
6171
62
LYS
HB3
.5308
.
5753
41
LYS
HB3
.531
1
6166
62
LYS
HB3
.532
.
15055
24
LYS
HB3
.54
2
6960
65
LYS
HB3
.555
.
5204
45
LYS
HB3
.57
2
6902
16
LYS
HB3
.57
1
7281
13
LYS
HB3
.58
2
7242
89
LYS
HB3
.588
2
5605
64
LYS
HB3
.59
2
6096
49
LYS
HB3
.6
2
6015
55
LYS
HB3
.603
2
5141
72
LYS
HB3
.61
2
4453
23
LYS
HB3
.63
2
6095
4
LYS
HB3
.637
2
5768
6
LYS
HB3
.64
.
6011
7
LYS
HB3
.64
2
5769
6
LYS
HB3
.645
.
6631
40
LYS
HB3
.649
2
4022
127
LYS
HB3
.65
1
5073
19
LYS
HB3
.654
.
15232
133
LYS
HB3
.658
1
4342
76
LYS
HB3
.66
2
15193
73
LYS
HB3
.66
2
1745
25
LYS
HB3
.67
1
1500
25
LYS
HB3
.67
2
4424
27
LYS
HB3
.67
1
5203
10
LYS
HB3
.671
2
15701
57
LYS
HB3
.68
2
5813
6
LYS
HB3
.683
1
6875
104
LYS
HB3
.69
2
15723
24
LYS
HB3
.697
2
4305
52
LYS
HB3
.7
2
6850
49
LYS
HB3
.7125
2
5578
40
LYS
HB3
.72
.
6401
87
LYS
HB3
.721
2
5275
100
LYS
HB3
.728
2
4758
77
LYS
HB3
.73
1
4715
28
LYS
HB3
.732
2
6198
63
LYS
HB3
.74
2
4195
52
LYS
HB3
.74
1
5319
41
LYS
HB3
.74
1
5623
32
LYS
HB3
.74
1
4768
39
LYS
HB3
.75
.
4091
118
LYS
HB3
.75
2
4404
4
LYS
HB3
.75
2
7310
154
LYS
HB3
.759
2
5099
44
LYS
HB3
.76
2
6829
57
LYS
HB3
.761
2
5659
155
LYS
HB3
.77
2
5308
89
LYS
HB3
.78
1
4670
117
LYS
HB3
.78
.
1875
133
LYS
HB3
.78
2
6644
125
LYS
HB3
.78
2
15020
25
LYS
HB3
.781
2
15335
64
LYS
HB3
.784
2
15386
56
LYS
HB3
.788
2
5902
82
LYS
HB3
.789
2
6282
46
LYS
HB3
.79
2
15351
12
LYS
HB3
.798
2
5275
118
LYS
HB3
.799
2
4394
14
LYS
HB3
.8
1
5579
40
LYS
HB3
.8
.
5205
12
LYS
HB3
.804
.
6000
95
LYS
HB3
.81
1
7287
57
LYS
HB3
.812
1
4878
81
LYS
HB3
.82
2
5701
115
LYS
HB3
.823
2
7194
63
LYS
HB3
.825
2
4893
82
LYS
HB3
.83
1
15553
92
LYS
HB3
.83
1
5048
41
LYS
HB3
.83
1
7351
37
LYS
HB3
.833
2
5554
13
LYS
HB3
.84
2
6769
80
LYS
HB3
.846
1
6096
31
LYS
HB3
.849
2
4155
17
LYS
HB3
.85
1
7107
103
LYS
HB3
.858
2
6189
17
LYS
HB3
.859
1
6585
48
LYS
HB3
.867
2
4121
54
LYS
HB3
.87
2
5988
52
LYS
HB3
.87
1
6515
129
LYS
HB3
.871
2
4942
8
LYS
HB3
.88
2
30
38
LYS
HB3
.88
1
4305
34
LYS
HB3
.88
2
5867
38
LYS
HB3
.887
1
6138
100
LYS
HB3
.888
2
4519
42
LYS
HB3
.889
2
6196
131
LYS
HB3
.89
.
6195
117
LYS
HB3
.89
.
7242
8
LYS
HB3
.89
2
6525
7
LYS
HB3
.8981
1
7274
116
LYS
HB3
.903
2
6731
60
LYS
HB3
.904
2
15061
80
LYS
HB3
.906
2
5280
17
LYS
HB3
.91
2
6277
144
LYS
HB3
.912
2
15295
45
LYS
HB3
.913
2
6751
63
LYS
HB3
.915
2
7024
19
LYS
HB3
.919
.
2261
67
LYS
HB3
.92
1
5232
41
LYS
HB3
.92
2
6443
142
LYS
HB3
.92
2
15369
241
LYS
HB3
.921
2
5558
72
LYS
HB3
.922
1
6338
14
LYS
HB3
.925
2
10008
98
LYS
HB3
.927
1
4829
63
LYS
HB3
.927
2
5822
45
LYS
HB3
.93
1
5823
163
LYS
HB3
.93
1
6226
57
LYS
HB3
.94
2
5225
87
LYS
HB3
.94
1
5159
111
LYS
HB3
.94
2
15140
7
LYS
HB3
.95
2
5685
41
LYS
HB3
.95
2
4878
10
LYS
HB3
.95
2
6949
25
LYS
HB3
.95
1
4675
105
LYS
HB3
.953
1
15678
65
LYS
HB3
.958
2
480
9
LYS
HB3
.96
1
481
9
LYS
HB3
.96
1
4371
10
LYS
HB3
.96
.