LYS HG3 Chemical Shift Outliers

___________________________________________________
LYS HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
30598
1.347
-1.83
29.88
0.332


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18046
9
LYS
HG3
2.35
2
4080
91
LYS
HG3
2.35
2
4777
70
LYS
HG3
2.36
1
447
93
LYS
HG3
2.36
1
5279
46
LYS
HG3
2.37
.
15091
198
LYS
HG3
2.375
1
15739
44
LYS
HG3
2.391
2
16318
37
LYS
HG3
2.45
2
16443
62
LYS
HG3
2.456
2
4435
70
LYS
HG3
2.47
1
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
16114
57
LYS
HG3
3.034
2
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
16169
47
LYS
HG3
-.004
2
16170
47
LYS
HG3
-.005
2
4955
47
LYS
HG3
-.006
2
11296
32
LYS
HG3
-.009
2
18375
23
LYS
HG3
-.01
2
4878
44
LYS
HG3
-.02
2
4030
119
LYS
HG3
-.02
2
5929
82
LYS
HG3
-.02
1
17233
78
LYS
HG3
-.021
2
6005
43
LYS
HG3
-.027
2
19001
31
LYS
HG3
-.028
9
11457
82
LYS
HG3
-.029
2
5822
45
LYS
HG3
-.03
2
18088
25
LYS
HG3
-.03
.
5823
163
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
18045
146
LYS
HG3
-.04
2
11235
60
LYS
HG3
-.04
2
18393
57
LYS
HG3
-.041
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
6004
152
LYS
HG3
-.05
2
17827
75
LYS
HG3
-.05
1
11304
57
LYS
HG3
-.051
2
17691
50
LYS
HG3
-.059
2
7114
305
LYS
HG3
-.06
2
4758
77
LYS
HG3
-.06
1
4163
37
LYS
HG3
-.06
1
6188
32
LYS
HG3
-.06
2
18434
13
LYS
HG3
-.061
2
17553
34
LYS
HG3
-.064
2
4722
64
LYS
HG3
-.07
2
18322
78
LYS
HG3
-.07
2
4070
112
LYS
HG3
-.07
2
4681
76
LYS
HG3
-.07
.
17912
36
LYS
HG3
-.074
2
11158
54
LYS
HG3
-.077
2
11030
16
LYS
HG3
-.083
2
11030
16
LYS
HG3
-.083
2
17818
118
LYS
HG3
-.09
2
15603
28
LYS
HG3
-.097
2
5685
41
LYS
HG3
-.1
2
10090
113
LYS
HG3
-.102
2
17158
90
LYS
HG3
-.102
2
18563
41
LYS
HG3
-.108
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
.
16085
165
LYS
HG3
-.139
2
18346
46
LYS
HG3
-.14
2
10107
105
LYS
HG3
-.142
2
17632
106
LYS
HG3
-.15
2
7105
51
LYS
HG3
-.15
2
4912
87
LYS
HG3
-.15
4
4572
68
LYS
HG3
-.15
1
4371
46
LYS
HG3
-.151
.
15607
155
LYS
HG3
-.154
1
5947
64
LYS
HG3
-.16
2
4079
56
LYS
HG3
-.16
2
4867
94
LYS
HG3
-.16
1
5319
133
LYS
HG3
-.17
1
5048
133
LYS
HG3
-.17
1
5623
32
LYS
HG3
-.172
1
4981
26
LYS
HG3
-.18
2
6525
7
LYS
HG3
-.1806
4
10315
11
LYS
HG3
-.183
2
15511
102
LYS
HG3
-.184
1
6241
125
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
.
15607
3
LYS
HG3
-.191
1
18906
61
LYS
HG3
-.203
.
11089
24
LYS
HG3
-.205
2
17943
118
LYS
HG3
-.21
2
6976
35
LYS
HG3
-.21
2
5579
132
LYS
HG3
-.21
.
5319
41
LYS
HG3
-.21
1
19168
9
LYS
HG3
-.217
2
15750
7
LYS
HG3
-.22
2
6169
5
LYS
HG3
-.227
2
18455
13
LYS
HG3
-.229
2
5558
72
LYS
HG3
-.23
1
5578
40
LYS
HG3
-.23
.
4305
90
LYS
HG3
-.23
2
5538
16
LYS
HG3
-.23
2
6807
251
LYS
HG3
-.232
1
15945
87
LYS
HG3
-.233
2
18866
59
LYS
HG3
-.24
2
4340
31
LYS
HG3
-.24
1
4758
43
LYS
HG3
-.24
1
6443
126
LYS
HG3
-.25
2
7349
23
LYS
HG3
-.252
.
17534
88
LYS
HG3
-.252
2
4145
32
LYS
HG3
-.264
2
6005
5
LYS
HG3
-.28
2
15800
63
LYS
HG3
-.28
2
11147
148
LYS
HG3
-.28
2
4121
54
LYS
HG3
-.29
2
16206
49
LYS
HG3
-.29
.
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
18900
98
LYS
HG3
-.331
2
18911
98
LYS
HG3
-.331
2
17523
153
LYS
HG3
-.331
2
4748
82
LYS
HG3
-.348
1
16559
26
LYS
HG3
-.352
2
4603
75
LYS
HG3
-.36
2
16426
85
LYS
HG3
-.361
2
16558
26
LYS
HG3
-.363
2
4748
82
LYS
HG3
-.365
1
16737
139
LYS
HG3
-.4
2
16163
72
LYS
HG3
-.404
1
17325
109
LYS
HG3
-.407
2
16688
58
LYS
HG3
-.41
2
7203
26
LYS
HG3
-.412
.
10065
68
LYS
HG3
-.416
2
10032
45
LYS
HG3
-.419
2
11141
12
LYS
HG3
-.434
2
15803
149
LYS
HG3
-.445
2
15525
149
LYS
HG3
-.445
2
4404
4
LYS
HG3
-.45
2
5352
151
LYS
HG3
-.47
2
5803
34
LYS
HG3
-.48
2
7160
96
LYS
HG3
-.48
.
15536
54
LYS
HG3
-.481
2
18916
68
LYS
HG3
-.484
2
6911
26
LYS
HG3
-.486
2
7159
96
LYS
HG3
-.49
.
5804
34
LYS
HG3
-.5
2
5068
34
LYS
HG3
-.5
2
7160
33
LYS
HG3
-.5
.
10290
58
LYS
HG3
-.504
2
7159
33
LYS
HG3
-.52
.
5069
34
LYS
HG3
-.52
2
7224
10
LYS
HG3
-.53
2
10055
143
LYS
HG3
-.564
2
5947
86
LYS
HG3
-.58
2
4127
50
LYS
HG3
-.59
2
6196
131
LYS
HG3
-.6
.
6195
117
LYS
HG3
-.6
.
17825
45
LYS
HG3
-.626
2
16107
7
LYS
HG3
-.63
2
17892
48
LYS
HG3
-.631
.
15723
76
LYS
HG3
-.644
2
7158
31
LYS
HG3
-.673
2
11086
96
LYS
HG3
-.674
2
10111
53
LYS
HG3
-.683
2
15407
36
LYS
HG3
-.7
2
10063
37
LYS
HG3
-.708
2
17965
13
LYS
HG3
-.737
2
16030
27
LYS
HG3
-.76
2
4782
49
LYS
HG3
-.77
2
5538
41
LYS
HG3
-.8
1
5220
52
LYS
HG3
-.809
2
17553
72
LYS
HG3
-.82
2
17969
29
LYS
HG3
-.838
2
17970
29
LYS
HG3
-.841
2
5349
56
LYS
HG3
-.85
2
6782
55
LYS
HG3
-.86
2
11156
37
LYS
HG3
-.867
2
5867
38
LYS
HG3
-.874
1
17694
59
LYS
HG3
-.91
.
16072
8
LYS
HG3
-.93
2
15763
73
LYS
HG3
-1.05
2
15349
34
LYS
HG3
-1.11
2
15344
38
LYS
HG3
-1.114
2
10272
38
LYS
HG3
-1.159
2
4743
41
LYS
HG3
-1.16
2
17022
47
LYS
HG3
-1.261
2
4743
10
LYS
HG3
-1.83
2
11061
180
LYS
HG3
.008
2
4078
110
LYS
HG3
.01
2
15679
53
LYS
HG3
.014
1
6135
5
LYS
HG3
.015
1
5809
61
LYS
HG3
.02
4
5054
150
LYS
HG3
.02
2
16316
24
LYS
HG3
.02
2
18989
121
LYS
HG3
.02
2
10047
19
LYS
HG3
.022
2
15615
90
LYS
HG3
.026
1
17995
102
LYS
HG3
.026
2
10029
93
LYS
HG3
.026
2
4233
34
LYS
HG3
.027
2
5269
118
LYS
HG3
.03
2
5525
11
LYS
HG3
.03
.
15684
144
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
.
4682
133
LYS
HG3
.05
.
10250
52
LYS
HG3
.05
2
15655
31
LYS
HG3
.05
2
17611
58
LYS
HG3
.05
2
17311
138
LYS
HG3
.054
2
18130
55
LYS
HG3
.057
2
5601
51
LYS
HG3
.06
2
15335
64
LYS
HG3
.069
2
15778
65
LYS
HG3
.069
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
11212
46
LYS
HG3
.086
2
15128
114
LYS
HG3
.086
2
5048
41
LYS
HG3
.09
1
4110
69
LYS
HG3
.09
2
17741
29
LYS
HG3
.093
2
6508
86
LYS
HG3
.094
.
16360
26
LYS
HG3
.095
2
18416
67
LYS
HG3
.095
.
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
15935
56
LYS
HG3
.107
2
16372
84
LYS
HG3
.11
2
16266
57
LYS
HG3
.114
2
5073
19
LYS
HG3
.116
.
10122
31
LYS
HG3
.119
2
18320
72
LYS
HG3
.119
2
5162
24
LYS
HG3
.12
2
6133
96
LYS
HG3
.12
1
4491
70
LYS
HG3
.12
2
6330
82
LYS
HG3
.12
2
4140
70
LYS
HG3
.12
2
4758
14
LYS
HG3
.12
1
6134
105
LYS
HG3
.12
1
5232
123
LYS
HG3
.12
2
6507
86
LYS
HG3
.126
.
4954
11
LYS
HG3
.13
2
6516
50
LYS
HG3
.13
2
17723
56
LYS
HG3
.131
2
7306
43
LYS
HG3
.135
2
11142
98
LYS
HG3
.137
2
17752
88
LYS
HG3
.137
2
15578
334
LYS
HG3
.138
2
17418
69
LYS
HG3
.139
.
5083
133
LYS
HG3
.14
1
1875
133
LYS
HG3
.14
1
16101
57
LYS
HG3
.142
2
17005
122
LYS
HG3
.146
2
17857
25
LYS
HG3
.147
2
17623
132
LYS
HG3
.149
2
11127
56
LYS
HG3
.149
2
6336
82
LYS
HG3
.15
2
18511
31
LYS
HG3
.15
2
16267
88
LYS
HG3
.156
2
15382
29
LYS
HG3
.16
.
16840
69
LYS
HG3
.16
2
5274
10
LYS
HG3
.16
2
16191
88
LYS
HG3
.16
1
18393
7
LYS
HG3
.164
2
15616
122
LYS
HG3
.166
1
4145
43
LYS
HG3
.168
2
18051
60
LYS
HG3
.169
2
17250
170
LYS
HG3
.169
2
15356
114
LYS
HG3
.169
2
16002
90
LYS
HG3
.17
2
4675
105
LYS
HG3
.173
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
4094
88
LYS
HG3
.18
2
10193
25
LYS
HG3
.183
2
10160
93
LYS
HG3
.184
2
17125
138
LYS
HG3
.185
2
18866
161
LYS
HG3
.188
2
6769
80
LYS
HG3
.188
1
15303
66
LYS
HG3
.19
2
18464
78
LYS
HG3
.19
2
4397
19
LYS
HG3
.19
1
16372
35
LYS
HG3
.192
2
5495
6
LYS
HG3
.192
1
16382
58
LYS
HG3
.192
1
15925
169
LYS
HG3
.194
2
11138
26
LYS
HG3
.197
2
4445
69
LYS
HG3
.198
1
15309
60
LYS
HG3
.198
2
11207
69
LYS
HG3
.2
2
17732
52
LYS
HG3
.2
2
6058
49
LYS
HG3
.2
2
4732
49
LYS
HG3
.2
2
16443
104
LYS
HG3
.201
1
16653
76
LYS
HG3
.202
2
5126
87
LYS
HG3
.205
.
10029
19
LYS
HG3
.207
2
7024
19
LYS
HG3
.207
.
16468
7
LYS
HG3
.208
2
16109
50
LYS
HG3
.209
2
18125
112
LYS
HG3
.21
2
5204
45
LYS
HG3
.21
2
5004
89
LYS
HG3
.21
2
6393
11
LYS
HG3
.21
1
10006
93
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
17741
50
LYS
HG3
.216
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
15874
56
LYS
HG3
.225
2
15873
56
LYS
HG3
.225
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
4210
20
LYS
HG3
.24
2
15924
169
LYS
HG3
.24
2
10331
84
LYS
HG3
.24
2
4455
30
LYS
HG3
.24
2
63
4
LYS
HG3
.24
1
16840
45
LYS
HG3
.241
2
10269
58
LYS
HG3
.244
2
10145
73
LYS
HG3
.245
2
18002
48
LYS
HG3
.249
2
5631
65
LYS
HG3
.25
2
5628
126
LYS
HG3
.25
2
16186
65
LYS
HG3
.25
2
300
46
LYS
HG3
.25
2
18187
68
LYS
HG3
.251
2
18946
34
LYS
HG3
.253
.
10317
40
LYS
HG3
.256
2
7036
54
LYS
HG3
.256
2
16293
34
LYS
HG3
.258
2
5701
115
LYS
HG3
.258
2
16692
22
LYS
HG3
.259
2
17257
46
LYS
HG3
.26
2
16911
18
LYS
HG3
.26
2
6875
56
LYS
HG3
.26
2
6159
37
LYS
HG3
.26
2
6976
10
LYS
HG3
.263
2
16719
16
LYS
HG3
.266
2
16293
34
LYS
HG3
.267
2
15309
60
LYS
HG3
.269
2
4912
49
LYS
HG3
.27
1
4305
52
LYS
HG3
.27
2
4424
40
LYS
HG3
.27
1
4156
60
LYS
HG3
.27
2
4424
39
LYS
HG3
.27
1
18637
144
LYS
HG3
.272
2
17319
95
LYS
HG3
.272
2
17716
31
LYS
HG3
.274
2
6730
79
LYS
HG3
.274
.
6469
51
LYS
HG3
.276
2
5261
139
LYS
HG3
.277
1
15607
191
LYS
HG3
.278
1
11217
44
LYS
HG3
.278
2
17074
123
LYS
HG3
.279
2
5663
93
LYS
HG3
.28
.
5539
49
LYS
HG3
.28
2
4049
56
LYS
HG3
.28
2
10127
62
LYS
HG3
.282
2
10324
74
LYS
HG3
.283
2
10037
45
LYS
HG3
.283
2
11230
53
LYS
HG3
.284
2
11300
26
LYS
HG3
.285
2
5205
12
LYS
HG3
.288
.
5827
99
LYS
HG3
.29
4
16494
49
LYS
HG3
.29
2
11216
14
LYS
HG3
.29
2
4279
12
LYS
HG3
.29
1
11089
41
LYS
HG3
.29
2
4431
44
LYS
HG3
.29
2
5352
52
LYS
HG3
.29
2
4757
30
LYS
HG3
.29
1
6198
63
LYS
HG3
.291
2
16689
81
LYS
HG3
.295
2
18434
58
LYS
HG3
.298
2
6096
49
LYS
HG3
.3
2
4114
24
LYS
HG3
.3
1
5026
99
LYS
HG3
.3
.
16502
48
LYS
HG3
.3
2
5662
93
LYS
HG3
.3
.
4214
115
LYS
HG3
.303
.
17289
74
LYS
HG3
.304
2
18490
38
LYS
HG3
.305
2
18388
76
LYS
HG3
.308
2
15701
57
LYS
HG3
.31
2
6282
46
LYS
HG3
.31
2
16992
128
LYS
HG3
.31
1
5162
58
LYS
HG3
.31
2
5455
18
LYS
HG3
.31
2
5175
80
LYS
HG3
.31
2
5517
24
LYS
HG3
.31
1
11409
74
LYS
HG3
.311
2
16053
35
LYS
HG3
.312
.
6308
70
LYS
HG3
.314
.
18431
22
LYS
HG3
.314
.
18539
103
LYS
HG3
.314
1
16305
100
LYS
HG3
.317
5
17518
12
LYS
HG3
.319
.
15163
15
LYS
HG3
.32
1
4091
118
LYS
HG3
.32
2
6291
49
LYS
HG3
.32
2
280
20
LYS
HG3
.32
1
18095
88
LYS
HG3
.32
1
4153
16
LYS
HG3
.32
2
15089
39
LYS
HG3
.32
2
16688
50
LYS
HG3
.32
2
16493
49
LYS
HG3
.32
2
16385
51
LYS
HG3
.325
2
5088
32
LYS
HG3
.33
2
6117
86
LYS
HG3
.33
2
4681
3
LYS
HG3
.33
.
6000
95
LYS
HG3
.33
1
18433
37
LYS
HG3
.33
.
11203
79
LYS
HG3
.33
2
18432
17
LYS
HG3
.332
.
18111
10
LYS
HG3
.333
2
18518
51
LYS
HG3
.335
1
17622
132
LYS
HG3
.335
2
6742
122
LYS
HG3
.336
.
10333
103
LYS
HG3
.338
2
5372
99
LYS
HG3
.34
2
6829
57
LYS
HG3
.34
2
6454
74
LYS
HG3
.34
1
11193
38
LYS
HG3
.341
2
11212
97
LYS
HG3
.344
2
4445
75
LYS
HG3
.345
1
15458
90
LYS
HG3
.349
1
11192
43
LYS
HG3
.349
2
15925
74
LYS
HG3
.349
2
15245
25
LYS
HG3
.349
2
4578
33
LYS
HG3
.35
2
5054
106
LYS
HG3
.35
2
6442
101
LYS
HG3
.35
1
5365
76
LYS
HG3
.35
2
18613
118
LYS
HG3
.351
2
5809
61
LYS
HG3
0
4
6626
68
LYS
HG3
0
2