LYS HB2 Chemical Shift Outliers

___________________________________________________
LYS HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14080
1.784
-.18
3.77
0.246


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6314
73
LYS
HB2
2.526
1
7310
140
LYS
HB2
2.54
2
1478
51
LYS
HB2
2.57
2
4674
9
LYS
HB2
2.57
.
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
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
4891
48
LYS
HB2
2.782
1
6272
54
LYS
HB2
2.79
1
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
4498
47
LYS
HB2
2.99
.
4600
47
LYS
HB2
2.99
.
5324
98
LYS
HB2
3.708
2
63
47
LYS
HB2
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
6869
48
LYS
HB2
-.04
1
4562
116
LYS
HB2
-.15
2
4943
116
LYS
HB2
-.17
2
4943
116
LYS
HB2
-.18
2
6829
57
LYS
HB2
.011
2
5753
41
LYS
HB2
.047
1
6117
86
LYS
HB2
.07
2
6901
120
LYS
HB2
.076
2
15002
68
LYS
HB2
.125
.
7107
103
LYS
HB2
.143
2
4424
27
LYS
HB2
.15
1
5177
96
LYS
HB2
.16
2
5361
52
LYS
HB2
.22
2
15369
241
LYS
HB2
.221
2
6718
57
LYS
HB2
.225
2
4121
54
LYS
HB2
.23
2
5968
57
LYS
HB2
.25
2
6169
5
LYS
HB2
.256
1
4195
64
LYS
HB2
.27
2
4211
32
LYS
HB2
.28
1
5845
7
LYS
HB2
.3
2
6406
71
LYS
HB2
.307
1
6518
107
LYS
HB2
.31
2
6256
94
LYS
HB2
.32
2
6727
56
LYS
HB2
.33
2
6624
106
LYS
HB2
.336
2
7192
61
LYS
HB2
.35
2
8
64
LYS
HB2
.36
2
300
46
LYS
HB2
.37
2
4988
36
LYS
HB2
.4
2
4779
89
LYS
HB2
.41
2
275
46
LYS
HB2
.41
2
15172
29
LYS
HB2
.41
2
15172
29
LYS
HB2
.41
2
6854
10
LYS
HB2
.424
1
63
46
LYS
HB2
.43
2
15265
108
LYS
HB2
.45
2
4143
86
LYS
HB2
.461
2
4675
105
LYS
HB2
.471
1
15074
45
LYS
HB2
.477
2
1745
25
LYS
HB2
.48
1
1500
25
LYS
HB2
.48
2
6649
20
LYS
HB2
.488
.
4782
102
LYS
HB2
.49
1
6000
95
LYS
HB2
.5
1
6533
17
LYS
HB2
.511
2
10027
53
LYS
HB2
.511
1
7097
11
LYS
HB2
.54
.
15536
54
LYS
HB2
.552
2
5393
36
LYS
HB2
.554
2
5970
107
LYS
HB2
.559
2
7024
19
LYS
HB2
.594
.
6454
74
LYS
HB2
.6
2
6902
16
LYS
HB2
.6
1
6649
56
LYS
HB2
.609
.
6011
7
LYS
HB2
.61
2
5524
27
LYS
HB2
.63
2
6159
37
LYS
HB2
.632
2
5799
129
LYS
HB2
.64
2
4022
127
LYS
HB2
.65
1
2049
32
LYS
HB2
.661
2
6195
117
LYS
HB2
.69
.
6196
131
LYS
HB2
.69
.
6769
80
LYS
HB2
.692
1
5388
9
LYS
HB2
.7
2
4022
213
LYS
HB2
.7
2
6298
3
LYS
HB2
.705
.
6400
87
LYS
HB2
.705
2
4637
56
LYS
HB2
.71
4
7219
141
LYS
HB2
.724
2
15061
41
LYS
HB2
.726
2
15280
30
LYS
HB2
.735
1
4638
44
LYS
HB2
.744
.
5349
56
LYS
HB2
.75
2
4768
39
LYS
HB2
.75
.
6138
100
LYS
HB2
.761
2
5211
104
LYS
HB2
.77
.
6075
4
LYS
HB2
.78
1
4052
133
LYS
HB2
.78
.
5529
45
LYS
HB2
.787
.
15750
9
LYS
HB2
.79
2
55
32
LYS
HB2
.79
2
4619
14
LYS
HB2
.792
.
7175
8
LYS
HB2
.8
2
1696
140
LYS
HB2
.81
2
7287
57
LYS
HB2
.812
1
6731
60
LYS
HB2
.815
2
5598
65
LYS
HB2
.82
.
5006
52
LYS
HB2
.82
2
6944
95
LYS
HB2
.821
.
4893
82
LYS
HB2
.83
1
5104
98
LYS
HB2
.83
2
4276
51
LYS
HB2
.83
1
6563
4
LYS
HB2
.833
2
5203
10
LYS
HB2
.835
2
4460
98
LYS
HB2
.837
1
4827
67
LYS
HB2
.84
.
4827
9
LYS
HB2
.84
.
5999
93
LYS
HB2
.843
2
6096
87
LYS
HB2
.847
2
5205
12
LYS
HB2
.848
.
4195
52
LYS
HB2
.85
1
4155
17
LYS
HB2
.85
1
6262
20
LYS
HB2
.86
2
4828
67
LYS
HB2
.86
.
15032
65
LYS
HB2
.86
2
5073
19
LYS
HB2
.868
.
5988
52
LYS
HB2
.87
1
4828
9
LYS
HB2
.87
.
7022
104
LYS
HB2
.872
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
7009
76
LYS
HB2
.884
.
4829
3
LYS
HB2
.892
2
6432
71
LYS
HB2
.892
2
6999
3
LYS
HB2
.894
2
15351
12
LYS
HB2
.896
2
6525
7
LYS
HB2
.8981
1
15242
54
LYS
HB2
.9
.
5867
38
LYS
HB2
.901
1
15061
80
LYS
HB2
.906
2
10004
163
LYS
HB2
.91
2
6238
46
LYS
HB2
.911
1
4404
4
LYS
HB2
.92
2
349
67
LYS
HB2
.92
2
6003
16
LYS
HB2
.92
2
10008
98
LYS
HB2
.927
1
4327
47
LYS
HB2
.93
2
4948
64
LYS
HB2
.93
2
5156
78
LYS
HB2
.93
2
5822
45
LYS
HB2
.93
1
1062
15
LYS
HB2
.93
2
5823
163
LYS
HB2
.93
1
7310
44
LYS
HB2
.935
2
4327
44
LYS
HB2
.94
2
4878
44
LYS
HB2
.94
2
5225
87
LYS
HB2
.94
1
5024
52
LYS
HB2
.94
2
15055
24
LYS
HB2
.94
2
6282
46
LYS
HB2
.94
2
6777
14
LYS
HB2
.941
2
6280
116
LYS
HB2
.948
2
45
46
LYS
HB2
.95
2
5048
41
LYS
HB2
.95
1
4878
27
LYS
HB2
.95
2
5988
64
LYS
HB2
.95
2
6015
55
LYS
HB2
.951
2
7070
20
LYS
HB2
.957
2
5667
40
LYS
HB2
.957
.
15678
65
LYS
HB2
.958
2
15446
16
LYS
HB2
.967
2
6956
63
LYS
HB2
.97
2
15701
57
LYS
HB2
.97
2
5659
155
LYS
HB2
.97
2
15160
14
LYS
HB2
.972
2
6980
39
LYS
HB2
.974
2
5579
40
LYS
HB2
.98
.
5156
78
LYS
HB2
.98
2
4418
50
LYS
HB2
.98
2
6943
90
LYS
HB2
.98
1
5006
64
LYS
HB2
.98
2
4562
33
LYS
HB2
.98
2
4156
72
LYS
HB2
.99
1
6410
28
LYS
HB2
.99
2
8
52
LYS
HB2
.99
1
6922
30
LYS
HB2
.994
1
6096
49
LYS
HB2
1
2
4510
16
LYS
HB2
1
1
6644
125
LYS
HB2
1
2
4110
159
LYS
HB2
1
2
5902
82
LYS
HB2
1.004
2
4737
94
LYS
HB2
1.007
1
256
95
LYS
HB2
1.01
2
257
96
LYS
HB2
1.01
2
4825
10
LYS
HB2
1.01
2
4827
88
LYS
HB2
1.01
.
6003
113
LYS
HB2
1.015
2
5280
77
LYS
HB2
1.02
1
15139
100
LYS
HB2
1.02
2
5606
74
LYS
HB2
1.02
1
4828
88
LYS
HB2
1.02
.
4233
34
LYS
HB2
1.0248
2
4234
40
LYS
HB2
1.0257
2
4234
19
LYS
HB2
1.0258
2
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
4082
69
LYS
HB2
1.03
1
15203
17
LYS
HB2
1.03
2
4455
34
LYS
HB2
1.03
2
7008
77
LYS
HB2
1.033
.
6526
5
LYS
HB2
1.039384
2
5232
41
LYS
HB2
1.04
2
4791
49
LYS
HB2
1.04
1
4081
133
LYS
HB2
1.04
1
4282
129
LYS
HB2
1.04
2
5578
40
LYS
HB2
1.04
.
5024
64
LYS
HB2
1.04
2
15325
63
LYS
HB2
1.041
.
7298
59
LYS
HB2
1.041
2
6324
27
LYS
HB2
1.041
2
6333
58
LYS
HB2
1.042
2