LYS HG3 Chemical Shift Outliers

___________________________________________________
LYS HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
10974
1.361
-.874
2.99
0.278


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5678
94
LYS
HG3
2.2
1
6578
118
LYS
HG3
2.2
1
6648
5
LYS
HG3
2.234
1
6679
8
LYS
HG3
2.242
1
68
33
LYS
HG3
2.25
2
15404
11
LYS
HG3
2.258
2
6050
53
LYS
HG3
2.264
1
4300
157
LYS
HG3
2.31
2
4299
157
LYS
HG3
2.31
2
199
9
LYS
HG3
2.32
2
5595
35
LYS
HG3
2.34
2
4080
91
LYS
HG3
2.35
2
4143
36
LYS
HG3
2.497
2
4249
116
LYS
HG3
2.71
2
4682
102
LYS
HG3
2.92
.
1155
56
LYS
HG3
2.99
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15074
45
LYS
HG3
-.003
2
5929
82
LYS
HG3
-.02
1
4878
44
LYS
HG3
-.02
2
5823
163
LYS
HG3
-.03
2
5822
45
LYS
HG3
-.03
2
6469
49
LYS
HG3
-.031
2
7105
135
LYS
HG3
-.044
2
6004
152
LYS
HG3
-.05
2
4758
77
LYS
HG3
-.06
1
4681
76
LYS
HG3
-.07
.
4070
112
LYS
HG3
-.07
2
4722
64
LYS
HG3
-.07
2
15603
28
LYS
HG3
-.097
2
5685
41
LYS
HG3
-.1
2
4091
74
LYS
HG3
-.11
2
5388
9
LYS
HG3
-.12
2
7036
32
LYS
HG3
-.124
2
4110
159
LYS
HG3
-.13
2
5667
40
LYS
HG3
-.133
.
4572
68
LYS
HG3
-.15
1
7105
51
LYS
HG3
-.15
2
4371
46
LYS
HG3
-.151
.
4079
56
LYS
HG3
-.16
2
5048
133
LYS
HG3
-.17
1
5319
133
LYS
HG3
-.17
1
5623
32
LYS
HG3
-.172
1
4981
26
LYS
HG3
-.18
2
6525
7
LYS
HG3
-.1806
4
5578
132
LYS
HG3
-.19
.
6976
35
LYS
HG3
-.21
2
5579
132
LYS
HG3
-.21
.
5319
41
LYS
HG3
-.21
1
15750
7
LYS
HG3
-.22
2
6169
5
LYS
HG3
-.227
2
5558
72
LYS
HG3
-.23
1
5578
40
LYS
HG3
-.23
.
4305
90
LYS
HG3
-.23
2
4340
31
LYS
HG3
-.24
1
4758
43
LYS
HG3
-.24
1
6443
126
LYS
HG3
-.25
2
4145
32
LYS
HG3
-.264
2
4121
54
LYS
HG3
-.29
2
15373
52
LYS
HG3
-.32
2
4782
102
LYS
HG3
-.33
2
4603
75
LYS
HG3
-.36
2
7203
26
LYS
HG3
-.412
.
4404
4
LYS
HG3
-.45
2
5803
34
LYS
HG3
-.48
2
15536
54
LYS
HG3
-.481
2
6911
26
LYS
HG3
-.486
2
5068
34
LYS
HG3
-.5
2
5804
34
LYS
HG3
-.5
2
5069
34
LYS
HG3
-.52
2
6195
117
LYS
HG3
-.6
.
6196
131
LYS
HG3
-.6
.
15723
76
LYS
HG3
-.644
2
15407
36
LYS
HG3
-.7
2
4782
49
LYS
HG3
-.77
2
5349
56
LYS
HG3
-.85
2
5867
38
LYS
HG3
-.874
1
6135
5
LYS
HG3
.015
1
4233
34
LYS
HG3
.027
2
5525
11
LYS
HG3
.03
.
4639
34
LYS
HG3
.039
2
15386
56
LYS
HG3
.039
2
10027
53
LYS
HG3
.04
1
5579
40
LYS
HG3
.04
.
15655
31
LYS
HG3
.05
2
4682
133
LYS
HG3
.05
.
15335
64
LYS
HG3
.069
2
6015
53
LYS
HG3
.081
2
5686
97
LYS
HG3
.08242
2
15128
114
LYS
HG3
.086
2
5048
41
LYS
HG3
.09
1
4110
69
LYS
HG3
.09
2
6902
16
LYS
HG3
.1
1
5950
36
LYS
HG3
.102
1
5073
19
LYS
HG3
.116
.
5162
24
LYS
HG3
.12
2
6133
96
LYS
HG3
.12
1
6134
105
LYS
HG3
.12
1
5232
123
LYS
HG3
.12
2
4758
14
LYS
HG3
.12
1
4491
70
LYS
HG3
.12
2
4140
70
LYS
HG3
.12
2
6507
86
LYS
HG3
.126
.
6516
50
LYS
HG3
.13
2
7306
43
LYS
HG3
.135
2
1875
133
LYS
HG3
.14
1
15382
29
LYS
HG3
.16
.
4145
43
LYS
HG3
.168
2
15356
114
LYS
HG3
.169
2
4675
105
LYS
HG3
.173
2
4094
88
LYS
HG3
.18
2
6769
80
LYS
HG3
.188
1
15303
66
LYS
HG3
.19
2
5495
6
LYS
HG3
.192
1
4445
69
LYS
HG3
.198
1
15309
60
LYS
HG3
.198
2
6058
49
LYS
HG3
.2
2
4732
49
LYS
HG3
.2
2
7024
19
LYS
HG3
.207
.
10006
93
LYS
HG3
.21
2
5204
45
LYS
HG3
.21
2
6393
11
LYS
HG3
.21
1
5004
89
LYS
HG3
.21
2
7123
38
LYS
HG3
.212
2
4445
69
LYS
HG3
.213
1
15309
60
LYS
HG3
.214
2
4381
66
LYS
HG3
.216
2
4101
168
LYS
HG3
.22
2
4920
57
LYS
HG3
.222
2
5078
60
LYS
HG3
.23
2
5686
138
LYS
HG3
.2326
2
15281
17
LYS
HG3
.234
2
15723
24
LYS
HG3
.237
2
4210
20
LYS
HG3
.24
2
4455
30
LYS
HG3
.24
2
63
4
LYS
HG3
.24
1
300
46
LYS
HG3
.25
2
5628
126
LYS
HG3
.25
2
7036
54
LYS
HG3
.256
2
5701
115
LYS
HG3
.258
2
6159
37
LYS
HG3
.26
2
6875
56
LYS
HG3
.26
2
6976
10
LYS
HG3
.263
2
15309
60
LYS
HG3
.269
2
4156
60
LYS
HG3
.27
2
4424
39
LYS
HG3
.27
1
4305
52
LYS
HG3
.27
2
4424
40
LYS
HG3
.27
1
6469
51
LYS
HG3
.276
2
5539
49
LYS
HG3
.28
2
4049
56
LYS
HG3
.28
2
5205
12
LYS
HG3
.288
.
4757
30
LYS
HG3
.29
1
4431
44
LYS
HG3
.29
2
6198
63
LYS
HG3
.291
2
5662
93
LYS
HG3
.3
.
6096
49
LYS
HG3
.3
2
6282
46
LYS
HG3
.31
2
5455
18
LYS
HG3
.31
2
15701
57
LYS
HG3
.31
2
5517
24
LYS
HG3
.31
1
5162
58
LYS
HG3
.31
2
5175
80
LYS
HG3
.31
2
280
20
LYS
HG3
.32
1
6291
49
LYS
HG3
.32
2
4091
118
LYS
HG3
.32
2
6000
95
LYS
HG3
.33
1
4681
3
LYS
HG3
.33
.
6117
86
LYS
HG3
.33
2
6454
74
LYS
HG3
.34
1
6829
57
LYS
HG3
.34
2
4445
75
LYS
HG3
.345
1
15245
25
LYS
HG3
.349
2
15061
35
LYS
HG3
.353
2
6171
62
LYS
HG3
.3569
.
6166
62
LYS
HG3
.3569
.
4371
10
LYS
HG3
.358
.
4445
75
LYS
HG3
.363
1
5753
41
LYS
HG3
.373
1
5361
28
LYS
HG3
.38
2
5748
94
LYS
HG3
.38
1
4829
63
LYS
HG3
.386
2
6238
46
LYS
HG3
.389
2
6845
11
LYS
HG3
.39
2
4858
29
LYS
HG3
.39
2
6621
54
LYS
HG3
.41
2
6159
187
LYS
HG3
.41
2
7305
43
LYS
HG3
.414
2
6875
100
LYS
HG3
.42
2
6392
11
LYS
HG3
.42
1
4334
113
LYS
HG3
.42
1
5397
28
LYS
HG3
.42
2
5560
11
LYS
HG3
.42
2
15678
65
LYS
HG3
.424
2
1696
140
LYS
HG3
.43
2
4267
143
LYS
HG3
.44
1
7009
76
LYS
HG3
.44
.
4643
16
LYS
HG3
.44
2
4682
3
LYS
HG3
.45
.
5013
47
LYS
HG3
.451
2
7008
77
LYS
HG3
.454
.
4052
133
LYS
HG3
.46
.
6280
112
LYS
HG3
.4677
2
15055
12
LYS
HG3
.47
2
4562
33
LYS
HG3
.47
2
5127
31
LYS
HG3
.474
2
7219
110
LYS
HG3
.475
2
7022
104
LYS
HG3
.481
2
7241
21
LYS
HG3
.487
1
6593
9
LYS
HG3
.487
1
5309
52
LYS
HG3
.49
2
6560
104
LYS
HG3
.49
.
10008
98
LYS
HG3
.491
2
15232
133
LYS
HG3
.495
1
6573
44
LYS
HG3
.497
.
15281
48
LYS
HG3
.499
2
6956
63
LYS
HG3
.5
2
4927
25
LYS
HG3
.501
1
7034
72
LYS
HG3
.507
.
5800
25
LYS
HG3
.51
2
15061
41
LYS
HG3
.514
2
6050
8
LYS
HG3
.518
1
6159
10
LYS
HG3
.519
2
5232
41
LYS
HG3
.52
2
4321
100
LYS
HG3
.52
2
481
9
LYS
HG3
.52
2
5785
28
LYS
HG3
.52
2
480
9
LYS
HG3
.52
2
4160
54
LYS
HG3
.52
2
5207
30
LYS
HG3
.523
2
5848
12
LYS
HG3
.525
.