LYS HG3 Chemical Shift Outliers

___________________________________________________
LYS HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
16250
1.358
-1.83
29.88
0.372


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4744
18
LYS
HG3
2.484
.
4143
36
LYS
HG3
2.497
2
5383
48
LYS
HG3
2.5
.
5406
27
LYS
HG3
2.511
1
4777
19
LYS
HG3
2.55
1
5279
18
LYS
HG3
2.552
.
5333
45
LYS
HG3
2.6
1
4744
9
LYS
HG3
2.633
.
4837
94
LYS
HG3
2.68
2
4249
116
LYS
HG3
2.71
2
10036
47
LYS
HG3
2.745
1
4682
102
LYS
HG3
2.92
.
4131
5
LYS
HG3
2.96
.
4130
5
LYS
HG3
2.96
.
1155
56
LYS
HG3
2.99
1
15438
61
LYS
HG3
29.88
1
4435
80
LYS
HG3
3.11
1
1171
72
LYS
HG3
3.54
2
274
72
LYS
HG3
3.64
2
302
7
LYS
HG3
3.99
1
7106
54
LYS
HG3
4.177
2


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
4955
47
LYS
HG3
-.006
2
4030
119
LYS
HG3
-.02
2
5929
82
LYS
HG3
-.02
1
4878
44
LYS
HG3
-.02
2
6005
43
LYS
HG3
-.027
2
5822
45
LYS
HG3
-.03
2
5823
163
LYS
HG3
-.03
2
6469
49
LYS
HG3
-.031
2
4973
14
LYS
HG3
-.037
2
7105
135
LYS
HG3
-.044
2
5880
33
LYS
HG3
-.044
1
6004
152
LYS
HG3
-.05
2
4163
37
LYS
HG3
-.06
1
7114
305
LYS
HG3
-.06
2
4758
77
LYS
HG3
-.06
1
6188
32
LYS
HG3
-.06
2
4722
64
LYS
HG3
-.07
2
4070
112
LYS
HG3
-.07
2
4681
76
LYS
HG3
-.07
.
11030
16
LYS
HG3
-.083
2
11030
16
LYS
HG3
-.083
2
15603
28
LYS
HG3
-.097
2
5685
41
LYS
HG3
-.1
2
10090
113
LYS
HG3
-.102
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
.
10107
105
LYS
HG3
-.142
2
7105
51
LYS
HG3
-.15
2
4572
68
LYS
HG3
-.15
1
4912
87
LYS
HG3
-.15
4
4371
46
LYS
HG3
-.151
.
4867
94
LYS
HG3
-.16
1
4079
56
LYS
HG3
-.16
2
5947
64
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
15511
102
LYS
HG3
-.184
1
6241
125
LYS
HG3
-.184
1
10060
64
LYS
HG3
-.187
2
5578
132
LYS
HG3
-.19
.
5319
41
LYS
HG3
-.21
1
5579
132
LYS
HG3
-.21
.
6976
35
LYS
HG3
-.21
2
15750
7
LYS
HG3
-.22
2
6169
5
LYS
HG3
-.227
2
5558
72
LYS
HG3
-.23
1
5538
16
LYS
HG3
-.23
2
4305
90
LYS
HG3
-.23
2
5578
40
LYS
HG3
-.23
.
6807
251
LYS
HG3
-.232
1
15945
87
LYS
HG3
-.233
2
4340
31
LYS
HG3
-.24
1
4758
43
LYS
HG3
-.24
1
6443
126
LYS
HG3
-.25
2
7349
23
LYS
HG3
-.252
.
4145
32
LYS
HG3
-.264
2
15800
63
LYS
HG3
-.28
2
6005
5
LYS
HG3
-.28
2
4121
54
LYS
HG3
-.29
2
15373
52
LYS
HG3
-.32
2
4782
102
LYS
HG3
-.33
2
4748
82
LYS
HG3
-.348
1
4603
75
LYS
HG3
-.36
2
4748
82
LYS
HG3
-.365
1
7203
26
LYS
HG3
-.412
.
10065
68
LYS
HG3
-.416
2
10032
45
LYS
HG3
-.419
2
15525
149
LYS
HG3
-.445
2
15803
149
LYS
HG3
-.445
2
4404
4
LYS
HG3
-.45
2
5352
151
LYS
HG3
-.47
2
7160
96
LYS
HG3
-.48
.
5803
34
LYS
HG3
-.48
2
15536
54
LYS
HG3
-.481
2
6911
26
LYS
HG3
-.486
2
7159
96
LYS
HG3
-.49
.
5068
34
LYS
HG3
-.5
2
7160
33
LYS
HG3
-.5
.
5804
34
LYS
HG3
-.5
2
5069
34
LYS
HG3
-.52
2
7159
33
LYS
HG3
-.52
.
10055
143
LYS
HG3
-.564
2
5947
86
LYS
HG3
-.58
2
4127
50
LYS
HG3
-.59
2
6195
117
LYS
HG3
-.6
.
6196
131
LYS
HG3
-.6
.
15723
76
LYS
HG3
-.644
2
7158
31
LYS
HG3
-.673
2
10111
53
LYS
HG3
-.683
2
15407
36
LYS
HG3
-.7
2
10063
37
LYS
HG3
-.708
2
4782
49
LYS
HG3
-.77
2
5538
41
LYS
HG3
-.8
1
5220
52
LYS
HG3
-.809
2
5349
56
LYS
HG3
-.85
2
6782
55
LYS
HG3
-.86
2
5867
38
LYS
HG3
-.874
1
4973
32
LYS
HG3
-.98
2
15349
34
LYS
HG3
-1.11
2
15344
38
LYS
HG3
-1.114
2
4743
41
LYS
HG3
-1.16
2
4743
10
LYS
HG3
-1.83
2
4078
110
LYS
HG3
.01
2
6135
5
LYS
HG3
.015
1
5054
150
LYS
HG3
.02
2
5809
61
LYS
HG3
.02
4
10047
19
LYS
HG3
.022
2
10029
93
LYS
HG3
.026
2
4233
34
LYS
HG3
.027
2
5525
11
LYS
HG3
.03
.
5269
118
LYS
HG3
.03
2
15386
56
LYS
HG3
.039
2
4639
34
LYS
HG3
.039
2
10027
53
LYS
HG3
.04
1
5579
40
LYS
HG3
.04
.
4682
133
LYS
HG3
.05
.
15655
31
LYS
HG3
.05
2
5601
51
LYS
HG3
.06
2
15335
64
LYS
HG3
.069
2
15851
74
LYS
HG3
.071
2
6015
53
LYS
HG3
.081
2
5686
97
LYS
HG3
.08242
2
15128
114
LYS
HG3
.086
2
4110
69
LYS
HG3
.09
2
5048
41
LYS
HG3
.09
1
6508
86
LYS
HG3
.094
.
6902
16
LYS
HG3
.1
1
10031
89
LYS
HG3
.101
2
5950
36
LYS
HG3
.102
1
5396
138
LYS
HG3
.103
2
15846
49
LYS
HG3
.106
2
5073
19
LYS
HG3
.116
.
10122
31
LYS
HG3
.119
2
5232
123
LYS
HG3
.12
2
5162
24
LYS
HG3
.12
2
4758
14
LYS
HG3
.12
1
4491
70
LYS
HG3
.12
2
6134
105
LYS
HG3
.12
1
6133
96
LYS
HG3
.12
1
4140
70
LYS
HG3
.12
2
6330
82
LYS
HG3
.12
2
6507
86
LYS
HG3
.126
.
4954
11
LYS
HG3
.13
2
6516
50
LYS
HG3
.13
2
7306
43
LYS
HG3
.135
2
15578
334
LYS
HG3
.138
2
1875
133
LYS
HG3
.14
1
5083
133
LYS
HG3
.14
1
6336
82
LYS
HG3
.15
2
15382
29
LYS
HG3
.16
.
5274
10
LYS
HG3
.16
2
4145
43
LYS
HG3
.168
2
15356
114
LYS
HG3
.169
2
4675
105
LYS
HG3
.173
2
4094
88
LYS
HG3
.18
2
15776
57
LYS
HG3
.18
2
6769
80
LYS
HG3
.188
1
15303
66
LYS
HG3
.19
2
4397
19
LYS
HG3
.19
1
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
5126
87
LYS
HG3
.205
.
10029
19
LYS
HG3
.207
2
7024
19
LYS
HG3
.207
.
5204
45
LYS
HG3
.21
2
5004
89
LYS
HG3
.21
2
6393
11
LYS
HG3
.21
1
10006
93
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
1171
99
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
15823
11
LYS
HG3
.236
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
6626
68
LYS
HG3
0
2
5809
61
LYS
HG3
0
4
7367
6
LYS
HG3
0
?