LYS HG2 Chemical Shift Outliers

___________________________________________________
LYS HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
33654
1.364
-1.447
29.88
0.316


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5625
15
LYS
HG2
2.32
2
5279
68
LYS
HG2
2.321
.
18350
2
LYS
HG2
2.321
2
16443
62
LYS
HG2
2.326
2
5828
72
LYS
HG2
2.33
4
1171
72
LYS
HG2
2.33
2
5279
50
LYS
HG2
2.334
.
4744
18
LYS
HG2
2.347
.
6634
15
LYS
HG2
2.35
2
6612
51
LYS
HG2
2.35
.
18046
9
LYS
HG2
2.35
2
447
93
LYS
HG2
2.36
1
4777
70
LYS
HG2
2.36
1
5625
26
LYS
HG2
2.37
2
15091
198
LYS
HG2
2.375
1
6634
26
LYS
HG2
2.38
2
274
72
LYS
HG2
2.41
2
5279
18
LYS
HG2
2.415
.
4080
91
LYS
HG2
2.44
2
4291
45
LYS
HG2
2.454
1
4435
70
LYS
HG2
2.47
1
4011
70
LYS
HG2
2.47
4
10069
76
LYS
HG2
2.472
2
4744
46
LYS
HG2
2.473
.
6050
27
LYS
HG2
2.473
1
6050
53
LYS
HG2
2.5
1
5279
46
LYS
HG2
2.502
.
5406
27
LYS
HG2
2.511
1
5904
103
LYS
HG2
2.53
2
5543
13
LYS
HG2
2.54
2
5239
58
LYS
HG2
2.57
4
4777
19
LYS
HG2
2.6
1
5333
45
LYS
HG2
2.6
1
4435
30
LYS
HG2
2.7
2
10036
47
LYS
HG2
2.745
1
4131
5
LYS
HG2
2.84
.
4130
5
LYS
HG2
2.84
.
4249
116
LYS
HG2
2.94
2
1155
56
LYS
HG2
2.99
1
15438
61
LYS
HG2
29.88
1
4682
102
LYS
HG2
3.01
.
4435
80
LYS
HG2
3.11
1
16114
57
LYS
HG2
3.128
2
4837
94
LYS
HG2
3.26
2
4744
68
LYS
HG2
3.459
.
302
7
LYS
HG2
3.99
1
6834
85
LYS
HG2
5.385
2
5466
65
LYS
HG2
6.7
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17903
84
LYS
HG2
-.006
.
6956
63
LYS
HG2
-.008
2
11264
26
LYS
HG2
-.011
2
18709
56
LYS
HG2
-.012
2
16251
16
LYS
HG2
-.015
2
4973
14
LYS
HG2
-.02
2
5929
82
LYS
HG2
-.02
1
10098
71
LYS
HG2
-.025
2
5701
115
LYS
HG2
-.026
2
11507
145
LYS
HG2
-.028
1
18089
25
LYS
HG2
-.04
.
10313
12
LYS
HG2
-.048
2
4121
54
LYS
HG2
-.05
2
11030
16
LYS
HG2
-.054
2
11030
16
LYS
HG2
-.054
2
16256
58
LYS
HG2
-.059
2
5397
28
LYS
HG2
-.06
2
4637
56
LYS
HG2
-.06
4
15760
124
LYS
HG2
-.076
.
10252
64
LYS
HG2
-.077
2
6196
131
LYS
HG2
-.08
.
6782
104
LYS
HG2
-.08
2
6195
117
LYS
HG2
-.08
.
10319
17
LYS
HG2
-.083
2
18431
22
LYS
HG2
-.087
.
5205
12
LYS
HG2
-.088
.
17752
52
LYS
HG2
-.09
2
17973
93
LYS
HG2
-.09
2
15288
52
LYS
HG2
-.09
2
15134
59
LYS
HG2
-.1
2
17633
125
LYS
HG2
-.103
2
17865
109
LYS
HG2
-.108
2
11147
64
LYS
HG2
-.109
2
6742
130
LYS
HG2
-.116
.
17827
75
LYS
HG2
-.12
1
11220
38
LYS
HG2
-.128
2
7024
19
LYS
HG2
-.132
.
10255
10
LYS
HG2
-.134
2
11155
47
LYS
HG2
-.143
2
5044
62
LYS
HG2
-.148
1
16366
97
LYS
HG2
-.15
2
10065
68
LYS
HG2
-.15
2
5274
10
LYS
HG2
-.15
2
4572
68
LYS
HG2
-.15
1
10124
18
LYS
HG2
-.158
2
5633
66
LYS
HG2
-.159
.
5653
66
LYS
HG2
-.159
.
4867
94
LYS
HG2
-.16
1
10313
19
LYS
HG2
-.163
2
5036
51
LYS
HG2
-.17
.
18900
98
LYS
HG2
-.177
2
6525
7
LYS
HG2
-.1806
4
18911
98
LYS
HG2
-.181
2
10311
13
LYS
HG2
-.183
2
16767
74
LYS
HG2
-.186
2
17752
88
LYS
HG2
-.199
2
19012
97
LYS
HG2
-.201
.
15288
78
LYS
HG2
-.21
2
11244
44
LYS
HG2
-.217
2
15945
87
LYS
HG2
-.233
2
17022
47
LYS
HG2
-.241
2
6238
46
LYS
HG2
-.247
2
4404
4
LYS
HG2
-.26
2
19001
31
LYS
HG2
-.264
9
11010
96
LYS
HG2
-.278
1
11457
82
LYS
HG2
-.278
2
7114
251
LYS
HG2
-.28
2
6782
55
LYS
HG2
-.28
2
17382
157
LYS
HG2
-.289
2
4205
82
LYS
HG2
-.29
2
17490
101
LYS
HG2
-.293
2
11229
45
LYS
HG2
-.297
2
16163
72
LYS
HG2
-.305
1
5279
41
LYS
HG2
-.314
.
17736
148
LYS
HG2
-.32
2
15315
34
LYS
HG2
-.333
2
6058
49
LYS
HG2
-.34
2
15230
147
LYS
HG2
-.343
2
4748
82
LYS
HG2
-.348
1
6005
43
LYS
HG2
-.35
2
7097
11
LYS
HG2
-.35
.
15536
54
LYS
HG2
-.354
2
11141
12
LYS
HG2
-.357
2
10107
82
LYS
HG2
-.359
2
4748
82
LYS
HG2
-.365
1
17965
13
LYS
HG2
-.373
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
10290
58
LYS
HG2
-.403
2
10037
45
LYS
HG2
-.404
2
5349
56
LYS
HG2
-.42
2
15577
60
LYS
HG2
-.424
2
17325
109
LYS
HG2
-.438
2
6410
15
LYS
HG2
-.449
2
18404
31
LYS
HG2
-.45
1
4491
70
LYS
HG2
-.45
2
4140
70
LYS
HG2
-.45
2
15270
114
LYS
HG2
-.462
2
4743
41
LYS
HG2
-.47
2
5803
97
LYS
HG2
-.47
2
6005
5
LYS
HG2
-.475
2
17002
69
LYS
HG2
-.476
2
7160
96
LYS
HG2
-.48
.
5068
97
LYS
HG2
-.48
2
5069
97
LYS
HG2
-.49
2
7159
96
LYS
HG2
-.49
.
5804
97
LYS
HG2
-.5
2
15707
81
LYS
HG2
-.517
2
17608
63
LYS
HG2
-.538
2
4127
50
LYS
HG2
-.56
2
4820
29
LYS
HG2
-.69
2
16677
131
LYS
HG2
-.746
2
16316
24
LYS
HG2
-.75
2
7224
10
LYS
HG2
-.77
2
4743
10
LYS
HG2
-.81
2
5388
9
LYS
HG2
-.82
2
4973
32
LYS
HG2
-.98
2
16053
35
LYS
HG2
-.995
.
15344
38
LYS
HG2
-1.114
2
5538
16
LYS
HG2
-1.16
2
11224
37
LYS
HG2
-1.18
2
16942
114
LYS
HG2
-1.268
2
16842
43
LYS
HG2
-1.275
2
11193
38
LYS
HG2
-1.276
2
18787
43
LYS
HG2
-1.292
1
15086
11
LYS
HG2
-1.447
2
16129
80
LYS
HG2
.005
.
6922
30
LYS
HG2
.011
1
10092
40
LYS
HG2
.018
2
16030
27
LYS
HG2
.02
2
4233
34
LYS
HG2
.0249
2
18618
18
LYS
HG2
.025
.
6169
5
LYS
HG2
.025
2
15622
17
LYS
HG2
.026
2
6769
80
LYS
HG2
.027
1
15684
144
LYS
HG2
.03
.
5537
59
LYS
HG2
.04
2
18825
16
LYS
HG2
.04
2
7184
89
LYS
HG2
.0412
2
17534
88
LYS
HG2
.042
2
2049
32
LYS
HG2
.045
2
16549
70
LYS
HG2
.048
2
16016
8
LYS
HG2
.05
2
5821
64
LYS
HG2
.05
2
6366
101
LYS
HG2
.05
2
5823
64
LYS
HG2
.05
2
18632
18
LYS
HG2
.051
2
10312
10
LYS
HG2
.054
2
11078
111
LYS
HG2
.054
2
10279
14
LYS
HG2
.062
2
10314
10
LYS
HG2
.063
2
5753
41
LYS
HG2
.07
1
16315
18
LYS
HG2
.07
2
1696
91
LYS
HG2
.07
2
1991
50
LYS
HG2
.07
2
18632
18
LYS
HG2
.072
2
18432
17
LYS
HG2
.073
.
18474
16
LYS
HG2
.076
2
10329
65
LYS
HG2
.078
2
16485
49
LYS
HG2
.079
1
11142
98
LYS
HG2
.079
2
4279
12
LYS
HG2
.08
1
1696
140
LYS
HG2
.08
2
18388
76
LYS
HG2
.083
2
17310
138
LYS
HG2
.084
2
4619
25
LYS
HG2
.084
.
4262
138
LYS
HG2
.09
2
16186
13
LYS
HG2
.09
2
15615
202
LYS
HG2
.094
1
10296
30
LYS
HG2
.097
2
6902
16
LYS
HG2
.1
1
4053
84
LYS
HG2
.1
.
4053
133
LYS
HG2
.1
.
15288
76
LYS
HG2
.1
2
17825
45
LYS
HG2
.11
2
5054
150
LYS
HG2
.11
2
4744
10
LYS
HG2
.11
.
15382
29
LYS
HG2
.11
.
5578
40
LYS
HG2
.11
.
18433
37
LYS
HG2
.11
.
15914
48
LYS
HG2
.113
2
17864
36
LYS
HG2
.113
2
10319
10
LYS
HG2
.117
2
10334
83
LYS
HG2
.117
2
10126
52
LYS
HG2
.118
2
18320
72
LYS
HG2
.119
2
6873
257
LYS
HG2
.119
2
4160
54
LYS
HG2
.12
2
16384
45
LYS
HG2
.12
2
15776
57
LYS
HG2
.12
2
16840
69
LYS
HG2
.123
2
6333
66
LYS
HG2
.127
2
18490
38
LYS
HG2
.128
2
7009
76
LYS
HG2
.128
.
10119
43
LYS
HG2
.13
2
4153
16
LYS
HG2
.13
2
18788
133
LYS
HG2
.13
2
15616
122
LYS
HG2
.131
1
15404
74
LYS
HG2
.132
2
17969
29
LYS
HG2
.134
2
17750
85
LYS
HG2
.136
2
17970
29
LYS
HG2
.138
2
5319
41
LYS
HG2
.14
1
4312
86
LYS
HG2
.14
1
1875
133
LYS
HG2
.14
1
4052
133
LYS
HG2
.14
.
4911
87
LYS
HG2
.14
1
18262
93
LYS
HG2
.144
2
5630
52
LYS
HG2
.15
2
18261
93
LYS
HG2
.151
2
5880
33
LYS
HG2
.156
1
16191
88
LYS
HG2
.16
1
6000
95
LYS
HG2
.16
1
18434
13
LYS
HG2
.163
2
7414
162
LYS
HG2
.163
2
16103
41
LYS
HG2
.164
2
10055
143
LYS
HG2
.166
2
15935
56
LYS
HG2
.167
2
11128
61
LYS
HG2
.17
2
18404
22
LYS
HG2
.17
2
18824
16
LYS
HG2
.171
2
7107
133
LYS
HG2
.176
2
17523
153
LYS
HG2
.178
2
15357
146
LYS
HG2
.18
2
10146
83
LYS
HG2
.187
2
11279
53
LYS
HG2
.189
2
10249
20
LYS
HG2
.19
2
18464
78
LYS
HG2
.19
2
6161
33
LYS
HG2
.19
2
17865
59
LYS
HG2
.192
2
16372
35
LYS
HG2
.192
2
17995
102
LYS
HG2
.193
2
11127
56
LYS
HG2
.197
2
10250
52
LYS
HG2
.198
2
16408
31
LYS
HG2
.2
2
4931
87
LYS
HG2
.2
1
16653
76
LYS
HG2
.202
2
18296
36
LYS
HG2
.207
2
18455
13
LYS
HG2
.208
2
4165
54
LYS
HG2
.21
2
6256
94
LYS
HG2
.21
2
5317
27
LYS
HG2
.21
2
10035
61
LYS
HG2
.214
2
10082
68
LYS
HG2
.219
2
15808
17
LYS
HG2
.219
2
4360
45
LYS
HG2
.22
2
4101
168
LYS
HG2
.22
2
4843
89
LYS
HG2
.23
1
480
9
LYS
HG2
.23
2
481
9
LYS
HG2
.23
2
17799
123
LYS
HG2
.23
2
16384
27
LYS
HG2
.23
2
16063
131
LYS
HG2
.23
.
6188
83
LYS
HG2
.23
2
16266
57
LYS
HG2
.233
2
17553
45
LYS
HG2
.234
2
10161
84
LYS
HG2
.234
2
18013
133
LYS
HG2
.236
2
10163
85
LYS
HG2
.236
2
15851
74
LYS
HG2
.237
2
10319
68
LYS
HG2
.237
2
10027
53
LYS
HG2
.238
1
63
4
LYS
HG2
.24
1
10326
88
LYS
HG2
.241
2
6519
68
LYS
HG2
.243
2
15232
133
LYS
HG2
.245
1
11472
93
LYS
HG2
.245
2
18002
48
LYS
HG2
.249
2
4911
49
LYS
HG2
.25
1
5524
27
LYS
HG2
.25
2
4931
49
LYS
HG2
.25
1
16691
98
LYS
HG2
.25
2
5365
76
LYS
HG2
.251
2
16944
49
LYS
HG2
.253
2
15960
50
LYS
HG2
.26
.
18001
92
LYS
HG2
.26
1
4189
99
LYS
HG2
.26
1
17257
46
LYS
HG2
.26
2
16911
18
LYS
HG2
.26
2
4758
77
LYS
HG2
.26
1
6829
57
LYS
HG2
.261
2
16677
195
LYS
HG2
.264
2
17144
78
LYS
HG2
.27
2
4042
61
LYS
HG2
.27
2
16737
139
LYS
HG2
.27
2
4424
39
LYS
HG2
.27
1
17732
52
LYS
HG2
.27
2
4424
40
LYS
HG2
.27
1
5275
100
LYS
HG2
.271
2
15718
112
LYS
HG2
.272
2
10172
11
LYS
HG2
.272
2
5261
139
LYS
HG2
.277
1
4305
90
LYS
HG2
.28
2
4912
87
LYS
HG2
.28
1
17962
14
LYS
HG2
.28
2
5624
30
LYS
HG2
.28
2
5867
38
LYS
HG2
.281
1
17950
52
LYS
HG2
.286
.
11008
32
LYS
HG2
.289
2
16384
61
LYS
HG2
.29
2
15525
163
LYS
HG2
.29
2
15803
163
LYS
HG2
.29
2
447
52
LYS
HG2
.29
2
4143
38
LYS
HG2
.291
2
2049
83
LYS
HG2
.298
2
18434
58
LYS
HG2
.298
2
6538
101
LYS
HG2
.3
2
275
46
LYS
HG2
.3
2
5598
89
LYS
HG2
.3
.
16139
57
LYS
HG2
.3
.
4639
34
LYS
HG2
.3
2
15750
46
LYS
HG2
.3
2
4110
159
LYS
HG2
.3
2
6476
33
LYS
HG2
.302
2
15312
113
LYS
HG2
.302
.
15013
28
LYS
HG2
.305
.
10311
30
LYS
HG2
.306
2
5652
13
LYS
HG2
.307
1
18388
37
LYS
HG2
.307
2
17076
123
LYS
HG2
.308
2
10276
44
LYS
HG2
.308
2
16046
130
LYS
HG2
.309
2
10148
21
LYS
HG2
.31
2
16944
57
LYS
HG2
.31
2
16478
51
LYS
HG2
.311
2
15349
34
LYS
HG2
.311
2
15598
54
LYS
HG2
.312
2
17382
113
LYS
HG2
.312
2
16305
100
LYS
HG2
.317
5
11086
96
LYS
HG2
.317
2
16945
64
LYS
HG2
.319
2
6443
126
LYS
HG2
.32
2
15163
15
LYS
HG2
.32
1
280
20
LYS
HG2
.32
1
5627
65
LYS
HG2
.32
2
15597
54
LYS
HG2
.32
2
18389
76
LYS
HG2
.321
2
7008
77
LYS
HG2
.322
.
16048
130
LYS
HG2
.324
2
6872
19
LYS
HG2
.324
.
16049
130
LYS
HG2
.324
2
17005
122
LYS
HG2
.324
2
6635
25
LYS
HG2
.329
2
15453
32
LYS
HG2
.329
1
18663
58
LYS
HG2
.331
2
18111
10
LYS
HG2
.333
2
15877
52
LYS
HG2
.335
2
17077
123
LYS
HG2
.336
2
17416
65
LYS
HG2
.339
2
10159
73
LYS
HG2
.339
2
6454
74
LYS
HG2
.34
1
6324
27
LYS
HG2
.34
2
5525
11
LYS
HG2
.34
.
16042
130
LYS
HG2
.34
2
7002
4
LYS
HG2
.34
2
6045
97
LYS
HG2
.34
2
16047
130
LYS
HG2
.34
2
16348
123
LYS
HG2
.34
2
5809
61
LYS
HG2
.34
4
10142
84
LYS
HG2
.341
2
18183
106
LYS
HG2
.341
2
18135
133
LYS
HG2
.343
2
6901
63
LYS
HG2
.344
2
18944
30
LYS
HG2
.344
1
17822
130
LYS
HG2
.344
2
11007
32
LYS
HG2
.344
2
6536
18
LYS
HG2
.345
2
5073
19
LYS
HG2
.346
.
10127
62
LYS
HG2
.348
2
4838
64
LYS
HG2
.35
1
63
46
LYS
HG2
.35
2
6162
33
LYS
HG2
.35
2
5729
34
LYS
HG2
.35
1
16147
112
LYS
HG2
.35
1
5823
163
LYS
HG2
.35
2
5822
45
LYS
HG2
.35
2
6742
122
LYS
HG2
.351
.
6999
3
LYS
HG2
.351
1
17841
18
LYS
HG2
.352
1
16024
50
LYS
HG2
.352
2
6955
86
LYS
HG2
.352
1
7349
23
LYS
HG2
.353
.
10032
45
LYS
HG2
.354
2
16163
78
LYS
HG2
.355
1
5275
118
LYS
HG2
.356
2
5406
99
LYS
HG2
.357
2
16498
15
LYS
HG2
.36
2
6208
41
LYS
HG2
.36
2
16072
8
LYS
HG2
.36
2
6318
112
LYS
HG2
.36
2
17289
74
LYS
HG2
.362
2
4829
63
LYS
HG2
.364
2
6649
20
LYS
HG2
.366
.
16164
27
LYS
HG2
.369
2
19094
18
LYS
HG2
.3699
2
4255
79
LYS
HG2
.37
2
6330
82
LYS
HG2
.37
2
6336
82
LYS
HG2
.37
2
4165
28
LYS
HG2
.37
2
18235
59
LYS
HG2
.37
1
16443
104
LYS
HG2
.371
1
17865
111
LYS
HG2
.371
2
16944
45
LYS
HG2
.373
2
17723
56
LYS
HG2
.373
2
15777
77
LYS
HG2
.376
1
19195
31
LYS
HG2
.379
2
5151
32
LYS
HG2
.38
1
17943
118
LYS
HG2
.38
2
4867
25
LYS
HG2
.38
1
4397
19
LYS
HG2
.38
1
4208
40
LYS
HG2
.38
1
5220
52
LYS
HG2
.38
2
5239
29
LYS
HG2
.38
4
4078
110
LYS
HG2
.38
2
17622
132
LYS
HG2
.38
2
17418
69
LYS
HG2
.384
.
16164
46
LYS
HG2
.386
2
11093
33
LYS
HG2
.387
2
15644
31
LYS
HG2
.387
2
11088
49
LYS
HG2
.387
2
18182
110
LYS
HG2
.388
2
17608
41
LYS
HG2
.388
2
18692
10
LYS
HG2
.39
1
6782
83
LYS
HG2
.39
2
256
95
LYS
HG2
.39
2
4985
119
LYS
HG2
.39
2
257
96
LYS
HG2
.39
2
5086
80
LYS
HG2
.39
2
17467
61
LYS
HG2
.3906
2
18653
66
LYS
HG2
.392
1
5616
39
LYS
HG2
.394
1
7036
54
LYS
HG2
.397
2
16629
140
LYS
HG2
.397
2
4675
105
LYS
HG2
.398
2
15783
50
LYS
HG2
.399
.
6280
112
LYS
HG2
.3992
2
4110
69
LYS
HG2
.4
2
18517
189
LYS
HG2
.4
2
18531
31
LYS
HG2
.4
2
5579
40
LYS
HG2
.4
.
132
57
LYS
HG2
.4
2
17396
20
LYS
HG2
.4
1
6280
31
LYS
HG2
.4005
2
5623
32
LYS
HG2
.401
1
11224
44
LYS
HG2
.401
2
18303
76
LYS
HG2
.402
2
10319
47
LYS
HG2
.405
2
17840
18
LYS
HG2
.409
1
15914
133
LYS
HG2
.412
2
16822
160
LYS
HG2
.413
2
4161
28
LYS
HG2
0
2