LYS HB3 Chemical Shift Outliers

___________________________________________________
LYS HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
17170
1.757
-.968
35.97
0.389


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4777
19
LYS
HB3
3.01
1
5625
63
LYS
HB3
3.07
2
4078
82
LYS
HB3
3.08
1
6634
63
LYS
HB3
3.09
2
39
26
LYS
HB3
3.17
2
9
13
LYS
HB3
3.19
2
5239
58
LYS
HB3
3.22
4
4435
70
LYS
HB3
3.25
2
5239
75
LYS
HB3
3.25
2
4837
94
LYS
HB3
3.27
1
5324
98
LYS
HB3
3.548
2
63
47
LYS
HB3
3.77
1
4462
25
LYS
HB3
3.9
2
4744
18
LYS
HB3
3.934
.
287
61
LYS
HB3
3.94
1
4553
129
LYS
HB3
3.95
1
4044
10
LYS
HB3
3.95
2
15438
61
LYS
HB3
35.97
1
5279
18
LYS
HB3
4.024
.
5466
65
LYS
HB3
9.43
.


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
6634
77
LYS
HB3
-.01
2
5349
56
LYS
HB3
-.06
2
5625
77
LYS
HB3
-.06
2
4305
90
LYS
HB3
-.08
2
4345
82
LYS
HB3
-.1
2
4912
87
LYS
HB3
-.15
4
4743
10
LYS
HB3
-.21
1
6443
126
LYS
HB3
-.22
2
5069
117
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
6823
174
LYS
HB3
-.28
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
5947
43
LYS
HB3
-.427
2
4448
106
LYS
HB3
-.43
2
6238
46
LYS
HB3
-.449
1
4163
37
LYS
HB3
-.55
1
6742
130
LYS
HB3
-.579
.
6241
125
LYS
HB3
-.584
1
5809
61
LYS
HB3
-.62
4
5809
61
LYS
HB3
-.62
4
5947
86
LYS
HB3
-.741
2
15270
114
LYS
HB3
-.968
2
5601
51
LYS
HB3
.01
2
6159
37
LYS
HB3
.036
2
5077
48
LYS
HB3
.04
2
15002
68
LYS
HB3
.056
.
4973
14
LYS
HB3
.059
2
6004
96
LYS
HB3
.1
2
4920
68
LYS
HB3
.102
1
5054
106
LYS
HB3
.11
2
5083
103
LYS
HB3
.11
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
6035
48
LYS
HB3
.17
2
5357
26
LYS
HB3
.2
2
5628
126
LYS
HB3
.2
2
4869
73
LYS
HB3
.21
2
6597
81
LYS
HB3
.221
2
4697
51
LYS
HB3
.265
.
5126
87
LYS
HB3
.27
.
4948
64
LYS
HB3
.27
2
15536
54
LYS
HB3
.283
2
5461
67
LYS
HB3
.295
2
5461
67
LYS
HB3
.295
2
6188
32
LYS
HB3
.3
2
5988
64
LYS
HB3
.32
2
5006
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
6782
55
LYS
HB3
.37
2
15097
197
LYS
HB3
.38
2
6563
4
LYS
HB3
.399
2
4572
68
LYS
HB3
.4
2
5025
64
LYS
HB3
.4
2
6565
173
LYS
HB3
.4
2
7022
104
LYS
HB3
.4
2
15086
11
LYS
HB3
.421
2
6854
10
LYS
HB3
.424
1
10027
53
LYS
HB3
.43
1
4397
19
LYS
HB3
.44
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
.
5878
17
LYS
HB3
.46
2
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
4114
97
LYS
HB3
.5
1
4878
67
LYS
HB3
.5
2
6432
71
LYS
HB3
.507
2
4070
112
LYS
HB3
.51
2
345
27
LYS
HB3
.52
1
922
27
LYS
HB3
.52
2
7158
31
LYS
HB3
.528
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
.
1720
27
LYS
HB3
.56
2
5729
34
LYS
HB3
.56
1
6902
16
LYS
HB3
.57
1
5204
45
LYS
HB3
.57
2
7281
13
LYS
HB3
.58
2
6601
89
LYS
HB3
.585
2
7242
89
LYS
HB3
.588
2
7367
6
LYS
HB3
0
?