LYS HG2 Chemical Shift Outliers

___________________________________________________
LYS HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
12421
1.378
-.82
3.01
0.260


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15039
98
LYS
HG2
2.174
2
5085
82
LYS
HG2
2.18
1
7103
68
LYS
HG2
2.19
4
2281
54
LYS
HG2
2.19
1
6291
47
LYS
HG2
2.19
2
15289
24
LYS
HG2
2.192
1
5678
94
LYS
HG2
2.2
1
6578
118
LYS
HG2
2.2
1
4879
138
LYS
HG2
2.21
2
5084
82
LYS
HG2
2.22
2
6620
140
LYS
HG2
2.221
2
6679
8
LYS
HG2
2.242
1
7360
165
LYS
HG2
2.248
2
6620
96
LYS
HG2
2.253
2
6648
5
LYS
HG2
2.274
1
6612
51
LYS
HG2
2.35
.
4080
91
LYS
HG2
2.44
2
6050
27
LYS
HG2
2.473
1
6050
53
LYS
HG2
2.5
1
5904
103
LYS
HG2
2.53
2
5543
13
LYS
HG2
2.54
2
4249
116
LYS
HG2
2.94
2
1155
56
LYS
HG2
2.99
1
4682
102
LYS
HG2
3.01
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6956
63
LYS
HG2
-.008
2
5929
82
LYS
HG2
-.02
1
5701
115
LYS
HG2
-.026
2
4121
54
LYS
HG2
-.05
2
5397
28
LYS
HG2
-.06
2
4637
56
LYS
HG2
-.06
4
6196
131
LYS
HG2
-.08
.
6195
117
LYS
HG2
-.08
.
5205
12
LYS
HG2
-.088
.
15288
52
LYS
HG2
-.09
2
7024
19
LYS
HG2
-.132
.
5044
62
LYS
HG2
-.148
1
4572
68
LYS
HG2
-.15
1
5653
66
LYS
HG2
-.159
.
5633
66
LYS
HG2
-.159
.
5036
51
LYS
HG2
-.17
.
6525
7
LYS
HG2
-.1806
4
15288
78
LYS
HG2
-.21
2
6238
46
LYS
HG2
-.247
2
4404
4
LYS
HG2
-.26
2
15315
34
LYS
HG2
-.333
2
6058
49
LYS
HG2
-.34
2
7097
11
LYS
HG2
-.35
.
15536
54
LYS
HG2
-.354
2
4562
96
LYS
HG2
-.38
1
7219
110
LYS
HG2
-.389
2
4562
33
LYS
HG2
-.39
2
6415
97
LYS
HG2
-.4
2
5349
56
LYS
HG2
-.42
2
6410
15
LYS
HG2
-.449
2
4140
70
LYS
HG2
-.45
2
4491
70
LYS
HG2
-.45
2
5803
97
LYS
HG2
-.47
2
5068
97
LYS
HG2
-.48
2
5069
97
LYS
HG2
-.49
2
5804
97
LYS
HG2
-.5
2
4820
29
LYS
HG2
-.69
2
5388
9
LYS
HG2
-.82
2
6922
30
LYS
HG2
.011
1
4233
34
LYS
HG2
.0249
2
6169
5
LYS
HG2
.025
2
6769
80
LYS
HG2
.027
1
5537
59
LYS
HG2
.04
2
2049
32
LYS
HG2
.045
2
5823
64
LYS
HG2
.05
2
5821
64
LYS
HG2
.05
2
6366
101
LYS
HG2
.05
2
1991
50
LYS
HG2
.07
2
5753
41
LYS
HG2
.07
1
1696
91
LYS
HG2
.07
2
1696
140
LYS
HG2
.08
2
4619
25
LYS
HG2
.084
.
6902
16
LYS
HG2
.1
1
15288
76
LYS
HG2
.1
2
15382
29
LYS
HG2
.11
.
5578
40
LYS
HG2
.11
.
4160
54
LYS
HG2
.12
2
6333
66
LYS
HG2
.127
2
7009
76
LYS
HG2
.128
.
15404
74
LYS
HG2
.132
2
1875
133
LYS
HG2
.14
1
4052
133
LYS
HG2
.14
.
4312
86
LYS
HG2
.14
1
5319
41
LYS
HG2
.14
1
5630
52
LYS
HG2
.15
2
6000
95
LYS
HG2
.16
1
7107
133
LYS
HG2
.176
2
6161
33
LYS
HG2
.19
2
4165
54
LYS
HG2
.21
2
6256
94
LYS
HG2
.21
2
4101
168
LYS
HG2
.22
2
480
9
LYS
HG2
.23
2
4843
89
LYS
HG2
.23
1
481
9
LYS
HG2
.23
2
10027
53
LYS
HG2
.238
1
63
4
LYS
HG2
.24
1
15232
133
LYS
HG2
.245
1
5524
27
LYS
HG2
.25
2
4758
77
LYS
HG2
.26
1
6829
57
LYS
HG2
.261
2
4424
40
LYS
HG2
.27
1
4424
39
LYS
HG2
.27
1
5275
100
LYS
HG2
.271
2
5624
30
LYS
HG2
.28
2
4305
90
LYS
HG2
.28
2
5867
38
LYS
HG2
.281
1
4143
38
LYS
HG2
.291
2
2049
83
LYS
HG2
.298
2
5598
89
LYS
HG2
.3
.
4110
159
LYS
HG2
.3
2
275
46
LYS
HG2
.3
2
4639
34
LYS
HG2
.3
2
6538
101
LYS
HG2
.3
2
15750
46
LYS
HG2
.3
2
15312
113
LYS
HG2
.302
.
6476
33
LYS
HG2
.302
2
15013
28
LYS
HG2
.305
.
5652
13
LYS
HG2
.307
1
5627
65
LYS
HG2
.32
2
280
20
LYS
HG2
.32
1
6443
126
LYS
HG2
.32
2
7008
77
LYS
HG2
.322
.
6872
19
LYS
HG2
.324
.
6635
25
LYS
HG2
.329
2
7002
4
LYS
HG2
.34
2
6324
27
LYS
HG2
.34
2
5525
11
LYS
HG2
.34
.
6454
74
LYS
HG2
.34
1
6045
97
LYS
HG2
.34
2
6901
63
LYS
HG2
.344
2
6536
18
LYS
HG2
.345
2
5073
19
LYS
HG2
.346
.
5823
163
LYS
HG2
.35
2
63
46
LYS
HG2
.35
2
6162
33
LYS
HG2
.35
2
5822
45
LYS
HG2
.35
2
6999
3
LYS
HG2
.351
1
6955
86
LYS
HG2
.352
1
5275
118
LYS
HG2
.356
2
6318
112
LYS
HG2
.36
2
6208
41
LYS
HG2
.36
2
4829
63
LYS
HG2
.364
2
6649
20
LYS
HG2
.366
.
4255
79
LYS
HG2
.37
2
4165
28
LYS
HG2
.37
2
5151
32
LYS
HG2
.38
1
257
96
LYS
HG2
.39
2
256
95
LYS
HG2
.39
2
7036
54
LYS
HG2
.397
2
4675
105
LYS
HG2
.398
2
6280
112
LYS
HG2
.3992
2
132
57
LYS
HG2
.4
2
5579
40
LYS
HG2
.4
.
4110
69
LYS
HG2
.4
2
6280
31
LYS
HG2
.4005
2
5623
32
LYS
HG2
.401
1
5536
28
LYS
HG2
.416
2
4334
113
LYS
HG2
.42
1
15678
65
LYS
HG2
.424
2
4381
66
LYS
HG2
.426
2
6194
34
LYS
HG2
.43
2
2575
31
LYS
HG2
.43
2
6908
28
LYS
HG2
.43
2
4782
102
LYS
HG2
.43
2
5068
34
LYS
HG2
.43
2
5702
34
LYS
HG2
.43
2
6096
87
LYS
HG2
.435
2
15281
17
LYS
HG2
.439
2
6907
28
LYS
HG2
.44
2
4267
143
LYS
HG2
.44
1
6518
81
LYS
HG2
.44
2
5804
34
LYS
HG2
.44
2
5069
34
LYS
HG2
.44
2
5803
34
LYS
HG2
.44
2
7252
6
LYS
HG2
.44
2
5048
41
LYS
HG2
.44
1
15335
64
LYS
HG2
.441
2
6932
23
LYS
HG2
.45
2
5225
36
LYS
HG2
.46
2
4445
69
LYS
HG2
.466
1
5654
50
LYS
HG2
.4697
2
6159
37
LYS
HG2
.47
2
5742
121
LYS
HG2
.473
.
15498
145
LYS
HG2
.476
2
4445
69
LYS
HG2
.479
1
4721
9
LYS
HG2
.48
2
6538
35
LYS
HG2
.48
2
6593
9
LYS
HG2
.487
1
4334
104
LYS
HG2
.49
2
7175
8
LYS
HG2
.49
2
6192
34
LYS
HG2
.49
2
6282
46
LYS
HG2
.49
2
1696
35
LYS
HG2
.49
2
7322
64
LYS
HG2
.49
2
6135
5
LYS
HG2
.494
1
5064
43
LYS
HG2
.498
2
5280
77
LYS
HG2
.5
2
4981
26
LYS
HG2
.5
2
4779
89
LYS
HG2
.5
2
5808
18
LYS
HG2
.502
1
6705
65
LYS
HG2
.51
.
15373
52
LYS
HG2
.51
2
5848
12
LYS
HG2
.51
.
4841
18
LYS
HG2
.518
2
5207
30
LYS
HG2
.521
2
6850
48
LYS
HG2
.521
2
6988
37
LYS
HG2
.523
2
15128
114
LYS
HG2
.523
2
15386
56
LYS
HG2
.525
2
4052
28
LYS
HG2
.53
.
4091
118
LYS
HG2
.53
2
1876
28
LYS
HG2
.53
1
5589
110
LYS
HG2
.53
2
15232
28
LYS
HG2
.531
1
15411
152
LYS
HG2
.535
1
6280
270
LYS
HG2
.5384
2
15074
45
LYS
HG2
.539
2
4988
36
LYS
HG2
.54
2
6439
75
LYS
HG2
.546
1
5099
44
LYS
HG2
.55
2
15209
84
LYS
HG2
.55
2
300
46
LYS
HG2
.55
2
6902
87
LYS
HG2
.55
1
5748
35
LYS
HG2
.55
1
6125
132
LYS
HG2
.55
2
5943
48
LYS
HG2
.554
2
5782
39
LYS
HG2
.555
2
5328
84
LYS
HG2
.5588
2
15701
57
LYS
HG2
.56
2
7097
34
LYS
HG2
.56
.
15209
4
LYS
HG2
.56
2
4791
49
LYS
HG2
.56
1
4052
84
LYS
HG2
.56
.
1875
84
LYS
HG2
.56
1
4145
32
LYS
HG2
.561
2
4638
44
LYS
HG2
.564
.
7112
67
LYS
HG2
.564
1
15289
49
LYS
HG2
.564
1
15300
49
LYS
HG2
.564
1
5529
45
LYS
HG2
.567
.
5719
87
LYS
HG2
.569
1
6226
57
LYS
HG2
.57
1
4091
74
LYS
HG2
.57
2
4920
57
LYS
HG2
.57
2
6613
32
LYS
HG2
.572
2
6525
6
LYS
HG2
.5723
4
5784
42
LYS
HG2
.574
2
6280
116
LYS
HG2
.5753
2
4317
20
LYS
HG2
.58
1
4581
12
LYS
HG2
.58
2
55
32
LYS
HG2
.58
2
4321
100
LYS
HG2
.58
2
6899
18
LYS
HG2
.582
1
4024
21
LYS
HG2
.59
2
5309
6
LYS
HG2
.59
1
6198
63
LYS
HG2
.594
2
7025
46
LYS
HG2
.596
2
4161
28
LYS
HG2
0
2