LYS HG3 Chemical Shift Outliers

___________________________________________________
LYS HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
22346
1.351
-1.164
3.034
0.274


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6147
87
LYS
HG3
2.176
1
5085
82
LYS
HG3
2.18
1
2281
54
LYS
HG3
2.19
1
17956
24
LYS
HG3
2.195
2
11298
9
LYS
HG3
2.199
1
6578
118
LYS
HG3
2.2
1
5678
94
LYS
HG3
2.2
1
11298
14
LYS
HG3
2.229
2
6648
5
LYS
HG3
2.234
1
11298
11
LYS
HG3
2.241
2
6679
8
LYS
HG3
2.242
1
68
33
LYS
HG3
2.25
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
18046
9
LYS
HG3
2.35
2
4080
91
LYS
HG3
2.35
2
4249
116
LYS
HG3
2.71
2
10036
47
LYS
HG3
2.745
1
1155
56
LYS
HG3
2.99
1
16114
57
LYS
HG3
3.034
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
16169
47
LYS
HG3
-.004
2
16170
47
LYS
HG3
-.005
2
11296
32
LYS
HG3
-.009
2
18375
23
LYS
HG3
-.01
2
4878
44
LYS
HG3
-.02
2
17233
78
LYS
HG3
-.021
2
19001
31
LYS
HG3
-.028
9
11457
82
LYS
HG3
-.029
2
5823
163
LYS
HG3
-.03
2
5822
45
LYS
HG3
-.03
2
6469
49
LYS
HG3
-.031
2
11303
32
LYS
HG3
-.036
2
17260
221
LYS
HG3
-.037
2
18325
78
LYS
HG3
-.038
2
11235
60
LYS
HG3
-.04
2
18045
146
LYS
HG3
-.04
2
5880
33
LYS
HG3
-.044
1
7105
135
LYS
HG3
-.044
2
18663
58
LYS
HG3
-.045
2
18303
76
LYS
HG3
-.048
2
17827
75
LYS
HG3
-.05
1
6004
152
LYS
HG3
-.05
2
11304
57
LYS
HG3
-.051
2
17691
50
LYS
HG3
-.059
2
6188
32
LYS
HG3
-.06
2
4758
77
LYS
HG3
-.06
1
4163
37
LYS
HG3
-.06
1
18434
13
LYS
HG3
-.061
2
18322
78
LYS
HG3
-.07
2
4070
112
LYS
HG3
-.07
2
4722
64
LYS
HG3
-.07
2
17912
36
LYS
HG3
-.074
2
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
18563
41
LYS
HG3
-.108
2
4091
74
LYS
HG3
-.11
2
7036
32
LYS
HG3
-.124
2
4110
159
LYS
HG3
-.13
2
5667
40
LYS
HG3
-.133
.
16085
165
LYS
HG3
-.139
2
18346
46
LYS
HG3
-.14
2
10107
105
LYS
HG3
-.142
2
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
6241
125
LYS
HG3
-.184
1
15511
102
LYS
HG3
-.184
1
15938
56
LYS
HG3
-.18425
2
11126
19
LYS
HG3
-.185
2
10060
64
LYS
HG3
-.187
2
5578
132
LYS
HG3
-.19
.
18906
61
LYS
HG3
-.203
.
6976
35
LYS
HG3
-.21
2
5319
41
LYS
HG3
-.21
1
17943
118
LYS
HG3
-.21
2
19168
9
LYS
HG3
-.217
2
15750
7
LYS
HG3
-.22
2
6169
5
LYS
HG3
-.227
2
18455
13
LYS
HG3
-.229
2
5578
40
LYS
HG3
-.23
.
4305
90
LYS
HG3
-.23
2
6807
251
LYS
HG3
-.232
1
15945
87
LYS
HG3
-.233
2
4340
31
LYS
HG3
-.24
1
4758
43
LYS
HG3
-.24
1
15800
63
LYS
HG3
-.28
2
4121
54
LYS
HG3
-.29
2
17490
101
LYS
HG3
-.293
2
11320
26
LYS
HG3
-.309
2
16186
13
LYS
HG3
-.31
2
11132
58
LYS
HG3
-.313
2
15373
52
LYS
HG3
-.32
2
4782
102
LYS
HG3
-.33
2
17523
153
LYS
HG3
-.331
2
18900
98
LYS
HG3
-.331
2
4603
75
LYS
HG3
-.36
2
19049
57
LYS
HG3
-.37
2
16163
72
LYS
HG3
-.404
1
17325
109
LYS
HG3
-.407
2
16688
58
LYS
HG3
-.41
2
7203
26
LYS
HG3
-.412
.
11141
12
LYS
HG3
-.434
2
4404
4
LYS
HG3
-.45
2
7160
96
LYS
HG3
-.48
.
5803
34
LYS
HG3
-.48
2
15536
54
LYS
HG3
-.481
2
18916
68
LYS
HG3
-.484
2
6911
26
LYS
HG3
-.486
2
7159
96
LYS
HG3
-.49
.
7160
33
LYS
HG3
-.5
.
5068
34
LYS
HG3
-.5
2
5804
34
LYS
HG3
-.5
2
10290
58
LYS
HG3
-.504
2
7159
33
LYS
HG3
-.52
.
5069
34
LYS
HG3
-.52
2
7224
10
LYS
HG3
-.53
2
6195
117
LYS
HG3
-.6
.
6196
131
LYS
HG3
-.6
.
17825
45
LYS
HG3
-.626
2
17892
48
LYS
HG3
-.631
.
15723
76
LYS
HG3
-.644
2
15407
36
LYS
HG3
-.7
2
17965
13
LYS
HG3
-.737
2
16030
27
LYS
HG3
-.76
2
4782
49
LYS
HG3
-.77
2
5349
56
LYS
HG3
-.85
2
11156
37
LYS
HG3
-.867
2
16072
8
LYS
HG3
-.93
2
15763
73
LYS
HG3
-1.05
2
15349
34
LYS
HG3
-1.11
2
10272
38
LYS
HG3
-1.159
2
19398
53
LYS
HG3
-1.164
2
11061
180
LYS
HG3
.008
2
15679
53
LYS
HG3
.014
1
6135
5
LYS
HG3
.015
1
10047
19
LYS
HG3
.022
2
10029
93
LYS
HG3
.026
2
15615
90
LYS
HG3
.026
1
17995
102
LYS
HG3
.026
2
4233
34
LYS
HG3
.027
2
5525
11
LYS
HG3
.03
.
15684
144
LYS
HG3
.03
.
4639
34
LYS
HG3
.039
2
15386
56
LYS
HG3
.039
2
15655
31
LYS
HG3
.05
2
10250
52
LYS
HG3
.05
2
18130
55
LYS
HG3
.057
2
15851
74
LYS
HG3
.071
2
17742
29
LYS
HG3
.074
2
18115
60
LYS
HG3
.074
2
18474
16
LYS
HG3
.076
2
6015
53
LYS
HG3
.081
2
5686
97
LYS
HG3
.08242
2
10248
54
LYS
HG3
.083
2
19047
74
LYS
HG3
.083
1
11212
46
LYS
HG3
.086
2
15128
114
LYS
HG3
.086
2
4110
69
LYS
HG3
.09
2
5048
41
LYS
HG3
.09
1
17741
29
LYS
HG3
.093
2
18416
67
LYS
HG3
.095
.
6902
16
LYS
HG3
.1
1
5950
36
LYS
HG3
.102
1
15846
49
LYS
HG3
.106
2
15935
56
LYS
HG3
.107
2
16372
84
LYS
HG3
.11
2
19048
74
LYS
HG3
.112
1
16266
57
LYS
HG3
.114
2
5073
19
LYS
HG3
.116
.
18320
72
LYS
HG3
.119
2
6134
105
LYS
HG3
.12
1
4491
70
LYS
HG3
.12
2
4140
70
LYS
HG3
.12
2
5232
123
LYS
HG3
.12
2
4758
14
LYS
HG3
.12
1
6133
96
LYS
HG3
.12
1
5162
24
LYS
HG3
.12
2
6507
86
LYS
HG3
.126
.
6516
50
LYS
HG3
.13
2
17723
56
LYS
HG3
.131
2
19048
74
LYS
HG3
.134
1
7306
43
LYS
HG3
.135
2
11142
98
LYS
HG3
.137
2
15578
334
LYS
HG3
.138
2
19047
74
LYS
HG3
.138
1
1875
133
LYS
HG3
.14
1
16101
57
LYS
HG3
.142
2
17005
122
LYS
HG3
.146
2
17623
132
LYS
HG3
.149
2
18511
31
LYS
HG3
.15
2
16267
88
LYS
HG3
.156
2
16191
88
LYS
HG3
.16
1
16840
69
LYS
HG3
.16
2
15616
122
LYS
HG3
.166
1
17250
170
LYS
HG3
.169
2
18051
60
LYS
HG3
.169
2
15356
114
LYS
HG3
.169
2
16002
90
LYS
HG3
.17
2
18434
49
LYS
HG3
.173
2
15615
202
LYS
HG3
.174
1
11113
111
LYS
HG3
.175
2
15776
57
LYS
HG3
.18
2
10193
25
LYS
HG3
.183
2
10160
93
LYS
HG3
.184
2
6769
80
LYS
HG3
.188
1
15303
66
LYS
HG3
.19
2
18464
78
LYS
HG3
.19
2
5495
6
LYS
HG3
.192
1
16382
58
LYS
HG3
.192
1
16372
35
LYS
HG3
.192
2
15925
169
LYS
HG3
.194
2
11138
26
LYS
HG3
.197
2
15309
60
LYS
HG3
.198
2
4445
69
LYS
HG3
.198
1
6058
49
LYS
HG3
.2
2
11207
69
LYS
HG3
.2
2
4732
49
LYS
HG3
.2
2
16653
76
LYS
HG3
.202
2
10029
19
LYS
HG3
.207
2
7024
19
LYS
HG3
.207
.
16468
7
LYS
HG3
.208
2
16109
50
LYS
HG3
.209
2
10006
93
LYS
HG3
.21
2
18125
112
LYS
HG3
.21
2
5204
45
LYS
HG3
.21
2
5004
89
LYS
HG3
.21
2
17742
50
LYS
HG3
.212
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
17741
50
LYS
HG3
.216
2
4101
168
LYS
HG3
.22
2
4920
57
LYS
HG3
.222
2
5078
60
LYS
HG3
.23
2
16193
71
LYS
HG3
.232
2
5686
138
LYS
HG3
.2326
2
17950
52
LYS
HG3
.233
.
17621
48
LYS
HG3
.234
2
15281
17
LYS
HG3
.234
2
15823
11
LYS
HG3
.236
2
15723
24
LYS
HG3
.237
2
10331
84
LYS
HG3
.24
2
4210
20
LYS
HG3
.24
2
63
4
LYS
HG3
.24
1
15924
169
LYS
HG3
.24
2
4455
30
LYS
HG3
.24
2
16840
45
LYS
HG3
.241
2
10145
73
LYS
HG3
.245
2
18002
48
LYS
HG3
.249
2
300
46
LYS
HG3
.25
2
16186
65
LYS
HG3
.25
2
5628
126
LYS
HG3
.25
2
18187
68
LYS
HG3
.251
2
18946
34
LYS
HG3
.253
2
7036
54
LYS
HG3
.256
2
5701
115
LYS
HG3
.258
2
16692
22
LYS
HG3
.259
2
17257
46
LYS
HG3
.26
2
6159
37
LYS
HG3
.26
2
6875
56
LYS
HG3
.26
2
16911
18
LYS
HG3
.26
2
6976
10
LYS
HG3
.263
2
16719
16
LYS
HG3
.266
2
15309
60
LYS
HG3
.269
2
4156
60
LYS
HG3
.27
2
4424
40
LYS
HG3
.27
1
4424
39
LYS
HG3
.27
1
4305
52
LYS
HG3
.27
2
18637
144
LYS
HG3
.272
2
17319
95
LYS
HG3
.272
2
17716
31
LYS
HG3
.274
2
6469
51
LYS
HG3
.276
2
11217
44
LYS
HG3
.278
2
17074
123
LYS
HG3
.279
2
4049
56
LYS
HG3
.28
2
5539
49
LYS
HG3
.28
2
10127
62
LYS
HG3
.282
2
10324
74
LYS
HG3
.283
2
11230
53
LYS
HG3
.284
2
5205
12
LYS
HG3
.288
.
4757
30
LYS
HG3
.29
1
11216
14
LYS
HG3
.29
2
16494
49
LYS
HG3
.29
2
16689
81
LYS
HG3
.295
2
18434
58
LYS
HG3
.298
2
6096
49
LYS
HG3
.3
2
5662
93
LYS
HG3
.3
.
17289
74
LYS
HG3
.304
2
5162
58
LYS
HG3
.31
2
5517
24
LYS
HG3
.31
1
6282
46
LYS
HG3
.31
2
16992
128
LYS
HG3
.31
1
15701
57
LYS
HG3
.31
2
5455
18
LYS
HG3
.31
2
5175
80
LYS
HG3
.31
2
18539
103
LYS
HG3
.314
1
18431
22
LYS
HG3
.314
.
16305
100
LYS
HG3
.317
5
17518
12
LYS
HG3
.319
.
6291
49
LYS
HG3
.32
2
15163
15
LYS
HG3
.32
1
16688
50
LYS
HG3
.32
2
280
20
LYS
HG3
.32
1
4091
118
LYS
HG3
.32
2
18095
88
LYS
HG3
.32
1
16493
49
LYS
HG3
.32
2
16385
51
LYS
HG3
.325
2
18433
37
LYS
HG3
.33
.
11203
79
LYS
HG3
.33
2
6000
95
LYS
HG3
.33
1
18432
17
LYS
HG3
.332
.
18111
35
LYS
HG3
.333
2
17622
132
LYS
HG3
.335
2
10333
103
LYS
HG3
.338
2
6454
74
LYS
HG3
.34
1
6829
57
LYS
HG3
.34
2
11212
97
LYS
HG3
.344
2
4445
75
LYS
HG3
.345
1
15925
74
LYS
HG3
.349
2
15458
90
LYS
HG3
.349
1
11192
43
LYS
HG3
.349
2
15245
25
LYS
HG3
.349
2
17841
18
LYS
HG3
.352
1
15061
35
LYS
HG3
.353
2
11417
52
LYS
HG3
.356
2
16590
42
LYS
HG3
.357
2
4371
10
LYS
HG3
.358
.
10251
20
LYS
HG3
.359
2
6241
117
LYS
HG3
.361
1
4445
75
LYS
HG3
.363
1
7247
76
LYS
HG3
.366
1
16164
27
LYS
HG3
.369
2
17827
81
LYS
HG3
.37
1
5753
41
LYS
HG3
.373
1
10162
92
LYS
HG3
.38
2
5748
94
LYS
HG3
.38
1
5361
28
LYS
HG3
.38
2
10267
110
LYS
HG3
.381
2
17002
69
LYS
HG3
.383
2
18526
87
LYS
HG3
.383
2
11507
145
LYS
HG3
.384
1
16372
119
LYS
HG3
.385
2
16164
46
LYS
HG3
.386
2
6238
46
LYS
HG3
.389
2
18342
55
LYS
HG3
.389
2
18255
59
LYS
HG3
.39
2
17809
58
LYS
HG3
.39
2
4858
29
LYS
HG3
.39
2
18492
54
LYS
HG3
.39
2
16348
123
LYS
HG3
.39
2
11088
86
LYS
HG3
.393
2
11107
75
LYS
HG3
.396
2
15057
17
LYS
HG3
.396
1
16629
140
LYS
HG3
.397
2
16874
136
LYS
HG3
.398
2
11087
78
LYS
HG3
.4
2
11129
36
LYS
HG3
.403
2
17840
18
LYS
HG3
.409
1
10090
104
LYS
HG3
.409
2
6159
187
LYS
HG3
.41
2
6621
54
LYS
HG3
.41
2
18669
38
LYS
HG3
.412
2
18211
112
LYS
HG3
.413
2
15628
9
LYS
HG3
.414
2
7305
43
LYS
HG3
.414
2
5397
28
LYS
HG3
.42
2
5560
11
LYS
HG3
.42
2
16688
46
LYS
HG3
.42
2
18788
133
LYS
HG3
.42
2
10107
82
LYS
HG3
.42
2
6875
100
LYS
HG3
.42
2
15678
65
LYS
HG3
.424
2
15511
125
LYS
HG3
.424
1
11040
43
LYS
HG3
.424
2
11334
83
LYS
HG3
.425
2
10092
40
LYS
HG3
.425
2
10080
81
LYS
HG3
.427
2
19095
80
LYS
HG3
.428
2
1696
140
LYS
HG3
.43
2
17315
91
LYS
HG3
.434
2
18153
66
LYS
HG3
.435
2
16549
70
LYS
HG3
.439
2
16970
68
LYS
HG3
.439
2
7009
76
LYS
HG3
.44
.
4643
16
LYS
HG3
.44
2
11146
62
LYS
HG3
.444
2
16585
64
LYS
HG3
.45
2
16315
18
LYS
HG3
.45
2
7008
77
LYS
HG3
.454
.
10275
55
LYS
HG3
.455
2
17005
69
LYS
HG3
.458
2
11225
15
LYS
HG3
.458
2
18606
6
LYS
HG3
.459
.
4052
133
LYS
HG3
.46
.
15829
68
LYS
HG3
.46
2
11222
51
LYS
HG3
.462
2
17277
60
LYS
HG3
.463
2
17799
123
LYS
HG3
.463
2
11297
12
LYS
HG3
.465
2
17962
14
LYS
HG3
.466
2
6280
112
LYS
HG3
.4677
2
11108
86
LYS
HG3
.468
2
17806
101
LYS
HG3
.468
2
16691
98
LYS
HG3
.47
2
4562
33
LYS
HG3
.47
2
15055
12
LYS
HG3
.47
2
10307
11
LYS
HG3
.474
2
5127
31
LYS
HG3
.474
2
11126
47
LYS
HG3
.475
2
7219
110
LYS
HG3
.475
2
16944
57
LYS
HG3
.475
2
7022
104
LYS
HG3
.481
2
15511
63
LYS
HG3
.481
1
16192
14
LYS
HG3
.485
2
11053
198
LYS
HG3
.486
2
16283
95
LYS
HG3
.486
2
6593
9
LYS
HG3
.487
1
16272
95
LYS
HG3
.487
2
7241
21
LYS
HG3
.487
1
11312
59
LYS
HG3
.487
2
6560
104
LYS
HG3
.49
.
18826
17
LYS
HG3
.49
2
10164
48
LYS
HG3
.49
2
5309
52
LYS
HG3
.49
2
10008
98
LYS
HG3
.491
2
16164
95
LYS
HG3
.492
2
11107
29
LYS
HG3
.492
1
16731
81
LYS
HG3
.494
2
15232
133
LYS
HG3
.495
1
6573
44
LYS
HG3
.497
.
15281
48
LYS
HG3
.499
2
6956
63
LYS
HG3
.5
2
15691
16
LYS
HG3
.505
2
11010
96
LYS
HG3
.505
1
11298
19
LYS
HG3
.506
2
7034
72
LYS
HG3
.507
.
5800
25
LYS
HG3
.51
2
15938
67
LYS
HG3
.51175
2
11065
85
LYS
HG3
.512
2
18425
23
LYS
HG3
.512
2
15061
41
LYS
HG3
.514
2
18389
76
LYS
HG3
.514
2
18013
133
LYS
HG3
.515
2
6050
8
LYS
HG3
.518
1
6159
10
LYS
HG3
.519
2
481
9
LYS
HG3
.52
2
5232
41
LYS
HG3
.52
2
17412
28
LYS
HG3
.52
2
5785
28
LYS
HG3
.52
2
480
9
LYS
HG3
.52
2
16619
72
LYS
HG3
.521
2
5207
30
LYS
HG3
.523
2
5848
12
LYS
HG3
.525
.
16689
110
LYS
HG3
.526
2