LYS HE3 Chemical Shift Outliers

___________________________________________________
LYS HE3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
18722
2.907
1.171
4.55
0.200


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6272
54
LYS
HE3
3.52
1
17923
22
LYS
HE3
3.527
1
5678
54
LYS
HE3
3.53
1
6003
158
LYS
HE3
3.532
1
16630
75
LYS
HE3
3.538
2
17233
61
LYS
HE3
3.543
2
17194
9
LYS
HE3
3.54501
2
15694
61
LYS
HE3
3.546
2
19049
22
LYS
HE3
3.55
1
4879
140
LYS
HE3
3.55
1
4848
198
LYS
HE3
3.55
.
18260
64
LYS
HE3
3.554
1
6004
152
LYS
HE3
3.56
1
16666
49
LYS
HE3
3.565
2
1633
29
LYS
HE3
3.6
2
5377
29
LYS
HE3
3.6
1
15305
5
LYS
HE3
3.614
1
15305
5
LYS
HE3
3.614
1
6013
58
LYS
HE3
3.62
1
4589
88
LYS
HE3
3.62
.
7064
12
LYS
HE3
3.637
4
7064
30
LYS
HE3
3.639
1
16614
42
LYS
HE3
3.64
2
4574
62
LYS
HE3
3.65
1
18531
31
LYS
HE3
3.67
2
932
6
LYS
HE3
3.68
2
5943
16
LYS
HE3
3.71
1
5377
48
LYS
HE3
3.71
2
11299
62
LYS
HE3
3.723
1
19109
18
LYS
HE3
3.73
2
4142
11
LYS
HE3
3.73
1
17139
26
LYS
HE3
3.733
2
4797
32
LYS
HE3
3.74
2
4931
87
LYS
HE3
3.75
1
17912
61
LYS
HE3
3.756
2
4821
53
LYS
HE3
3.788
1
11298
14
LYS
HE3
3.797
1
11298
9
LYS
HE3
3.8
1
17399
132
LYS
HE3
3.8
2
11298
11
LYS
HE3
3.811
1
4098
49
LYS
HE3
3.83
2
4179
10
LYS
HE3
3.92
1
17399
69
LYS
HE3
3.93
2
5402
42
LYS
HE3
3.94
1
5100
20
LYS
HE3
3.96
1
17806
71
LYS
HE3
3.988
2
5100
20
LYS
HE3
3.99
1
4832
55
LYS
HE3
4.07
.
4832
27
LYS
HE3
4.07
.
6118
23
LYS
HE3
4.1
1
4271
23
LYS
HE3
4.18
1
15992
15
LYS
HE3
4.216
2
4417
54
LYS
HE3
4.32
1
6826
42
LYS
HE3
4.55
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18115
60
LYS
HE3
1.171
2
10275
26
LYS
HE3
1.222
2
7105
135
LYS
HE3
1.236
2
17840
50
LYS
HE3
1.256
1
18211
167
LYS
HE3
1.256
2
15349
34
LYS
HE3
1.265
2
16172
96
LYS
HE3
1.31
2
15800
63
LYS
HE3
1.33
2
16171
96
LYS
HE3
1.33
2
11339
50
LYS
HE3
1.349
2
18540
5
LYS
HE3
1.351
1
15688
105
LYS
HE3
1.352
2
6469
49
LYS
HE3
1.353
2
16117
50
LYS
HE3
1.355
1
10251
20
LYS
HE3
1.355
2
18507
43
LYS
HE3
1.362
2
11245
56
LYS
HE3
1.383
2
16164
46
LYS
HE3
1.397
2
10272
38
LYS
HE3
1.406
2
18642
16
LYS
HE3
1.406
2
5844
16
LYS
HE3
1.431
2
10039
84
LYS
HE3
1.436
2
17038
14
LYS
HE3
1.48
2
17191
61
LYS
HE3
1.487
2
4336
102
LYS
HE3
1.49
2
10313
12
LYS
HE3
1.496
2
15603
28
LYS
HE3
1.513
2
16958
31
LYS
HE3
1.548
2
19001
31
LYS
HE3
1.554
9
7025
46
LYS
HE3
1.56
2
11304
57
LYS
HE3
1.562
2
17044
11
LYS
HE3
1.574
2
16412
11
LYS
HE3
1.574
2
15085
65
LYS
HE3
1.58
1
6582
53
LYS
HE3
1.59
2
19013
76
LYS
HE3
1.591
2
6280
31
LYS
HE3
1.613
2
11132
58
LYS
HE3
1.626
2
16411
11
LYS
HE3
1.63
2
4774
40
LYS
HE3
1.65
1
7105
51
LYS
HE3
1.661
2
10248
54
LYS
HE3
1.665
2
11101
34
LYS
HE3
1.665
2
5502
13
LYS
HE3
1.665
1
17691
50
LYS
HE3
1.666
2
18130
55
LYS
HE3
1.67
2
16569
45
LYS
HE3
1.675
2
10255
10
LYS
HE3
1.675
2
15752
29
LYS
HE3
1.686
.
6159
104
LYS
HE3
1.69
2
18277
63
LYS
HE3
1.691
2
17576
41
LYS
HE3
1.696
2
4969
98
LYS
HE3
1.7
2
7153
1
LYS
HE3
1.7
.
10280
16
LYS
HE3
1.703
2
16163
85
LYS
HE3
1.71
1
19398
53
LYS
HE3
1.715
2
10252
64
LYS
HE3
1.723
2
18540
82
LYS
HE3
1.724
1
18541
47
LYS
HE3
1.724
1
7153
13
LYS
HE3
1.73
.
17582
41
LYS
HE3
1.732
2
4381
63
LYS
HE3
1.746
2
16176
32
LYS
HE3
1.746
1
7203
26
LYS
HE3
1.751
.
17653
67
LYS
HE3
1.76
2
16109
50
LYS
HE3
1.778
2
11107
29
LYS
HE3
1.778
2
16832
124
LYS
HE3
1.78
.
18788
9
LYS
HE3
1.78
1
4079
56
LYS
HE3
1.78
1
4722
64
LYS
HE3
1.79
1
16585
9
LYS
HE3
1.79
1
1696
16
LYS
HE3
1.8
1
4052
9
LYS
HE3
1.8
.
18540
105
LYS
HE3
1.81
1
6226
57
LYS
HE3
1.82
2
17002
69
LYS
HE3
1.821
2
11265
58
LYS
HE3
1.828
2
18435
32
LYS
HE3
1.83
2
4858
29
LYS
HE3
1.83
2
10047
19
LYS
HE3
1.844
2
17250
140
LYS
HE3
1.847
2
6731
60
LYS
HE3
1.847
2
5605
54
LYS
HE3
1.85
2
15034
105
LYS
HE3
1.85
2
5162
24
LYS
HE3
1.85
2
4893
83
LYS
HE3
1.86
1
4562
1
LYS
HE3
1.86
2
11061
180
LYS
HE3
1.862
2
10163
85
LYS
HE3
1.872
2
15373
52
LYS
HE3
1.88
2
5004
89
LYS
HE3
1.88
1
17477
30
LYS
HE3
1.889
2
15777
77
LYS
HE3
1.891
2
6988
37
LYS
HE3
1.893
2
5539
49
LYS
HE3
1.9
2
4973
32
LYS
HE3
1.9
2
10329
65
LYS
HE3
1.902
2
16082
82
LYS
HE3
1.907
2
16267
88
LYS
HE3
1.908
2
16882
31
LYS
HE3
1.911
2
10006
93
LYS
HE3
1.913
2
18320
72
LYS
HE3
1.914
2
16444
31
LYS
HE3
1.917
1
6159
188
LYS
HE3
1.92
2
6376
48
LYS
HE3
1.925
2
18709
56
LYS
HE3
1.928
2
6583
26
LYS
HE3
1.93
1
16002
90
LYS
HE3
1.93
2
16549
70
LYS
HE3
1.93
2
15408
32
LYS
HE3
1.932
2
19147
15
LYS
HE3
1.932
2
6593
9
LYS
HE3
1.935
1
15568
63
LYS
HE3
1.935
2
10332
82
LYS
HE3
1.936
2
15943
110
LYS
HE3
1.94
2
6280
270
LYS
HE3
1.942
2
7223
31
LYS
HE3
1.944
2
15939
59
LYS
HE3
1.948
2
11468
92
LYS
HE3
1.951
2
10334
83
LYS
HE3
1.955
2
6410
15
LYS
HE3
1.956
2
10273
69
LYS
HE3
1.956
2
10107
82
LYS
HE3
1.958
2
5707
25
LYS
HE3
1.96
2
5821
26
LYS
HE3
1.96
2
5823
26
LYS
HE3
1.96
2
17943
118
LYS
HE3
1.96
2
15528
112
LYS
HE3
1.962
2
16992
128
LYS
HE3
1.965
1
16840
69
LYS
HE3
1.966
2
18669
38
LYS
HE3
1.968
2
16585
133
LYS
HE3
1.97
2
11203
101
LYS
HE3
1.972
2
7022
78
LYS
HE3
1.974
2
18455
13
LYS
HE3
1.976
2
11516
132
LYS
HE3
1.976
2
18342
55
LYS
HE3
1.979
2
10313
19
LYS
HE3
1.979
1
4639
34
LYS
HE3
1.981
2
18013
9
LYS
HE3
1.985
2
18990
93
LYS
HE3
1.985
2
17169
68
LYS
HE3
1.987
2
18642
20
LYS
HE3
1.988
2
10316
85
LYS
HE3
1.988
2
4775
75
LYS
HE3
1.99
2
18183
78
LYS
HE3
1.99
2
5319
41
LYS
HE3
1.99
1
18435
136
LYS
HE3
1.99
2
15925
74
LYS
HE3
1.997
2
18917
91
LYS
HE3
2
2
4758
43
LYS
HE3
2
1
5078
60
LYS
HE3
2
2
5622
28
LYS
HE3
2
1
4603
75
LYS
HE3
2
2
7119
164
LYS
HE3
2.002
2
10250
94
LYS
HE3
2.002
2
11457
82
LYS
HE3
2.002
2
18906
61
LYS
HE3
2.007
.
18375
23
LYS
HE3
2.01
2
4417
97
LYS
HE3
2.01
2
19109
41
LYS
HE3
2.01
2
17033
23
LYS
HE3
2.012
2
15952
5
LYS
HE3
2.014
.
10333
103
LYS
HE3
2.015
2
4110
69
LYS
HE3
2.02
2
16072
8
LYS
HE3
2.02
2
15924
169
LYS
HE3
2.025
2
4233
34
LYS
HE3
2.0253
2
10295
40
LYS
HE3
2.026
2
4234
19
LYS
HE3
2.029
2
4233
25
LYS
HE3
2.0292
2
4234
40
LYS
HE3
2.0294
2
16236
71
LYS
HE3
2.04
2
4774
45
LYS
HE3
2.04
1
4403
10
LYS
HE3
2.04
2
5009
98
LYS
HE3
2.041
.
15407
36
LYS
HE3
2.043
2
17030
68
LYS
HE3
2.043
2
15288
96
LYS
HE3
2.05
2
7160
96
LYS
HE3
2.05
.
5232
41
LYS
HE3
2.05
1
15925
169
LYS
HE3
2.052
2
17369
68
LYS
HE3
2.054
2
2169
41
LYS
HE3
2.06
9
5982
83
LYS
HE3
2.06
.
16379
111
LYS
HE3
2.06
2
4288
63
LYS
HE3
2.06
2
6781
45
LYS
HE3
2.06
1
5701
34
LYS
HE3
2.069
2
11209
65
LYS
HE3
2.072
2
18390
36
LYS
HE3
2.073
2
16629
140
LYS
HE3
2.074
2
18489
75
LYS
HE3
2.076
2
6291
49
LYS
HE3
2.08
2
6576
16
LYS
HE3
2.08
2
6576
16
LYS
HE3
2.08
2
15374
46
LYS
HE3
2.085
2
17112
47
LYS
HE3
2.0859
2
18152
112
LYS
HE3
2.086
2
5982
34
LYS
HE3
2.09
.
1696
140
LYS
HE3
2.09
2
5381
41
LYS
HE3
2.09
1
11156
37
LYS
HE3
2.093
1
17110
72
LYS
HE3
2.094
1
18710
29
LYS
HE3
2.095
.
17405
91
LYS
HE3
2.096
2
7371
39
LYS
HE3
2.097
2
5764
4
LYS
HE3
2.1
1
18788
133
LYS
HE3
2.1
2
6022
12
LYS
HE3
2.1
1
16384
61
LYS
HE3
2.1
2
16463
36
LYS
HE3
2.102
2
7231
99
LYS
HE3
2.102
4
10324
74
LYS
HE3
2.102
2
10241
24
LYS
HE3
2.104
2
11108
74
LYS
HE3
2.106
2
10161
84
LYS
HE3
2.107
2
10115
70
LYS
HE3
2.107
2
17050
63
LYS
HE3
2.107
2
6280
116
LYS
HE3
2.108
2
11213
47
LYS
HE3
2.11
2
18434
13
LYS
HE3
2.115
2
11507
145
LYS
HE3
2.118
1
5880
33
LYS
HE3
2.119
1
19049
57
LYS
HE3
2.12
1
17451
102
LYS
HE3
2.12
2
17325
109
LYS
HE3
2.129
2
6705
97
LYS
HE3
2.13
.
5349
56
LYS
HE3
2.14
1
19329
29
LYS
HE3
2.14
2
5623
32
LYS
HE3
2.142
1
10069
77
LYS
HE3
2.144
2
16871
7
LYS
HE3
2.144
2
10264
117
LYS
HE3
2.147
2
10115
25
LYS
HE3
2.147
2
16874
136
LYS
HE3
2.147
2
16883
62
LYS
HE3
2.15
2
4972
41
LYS
HE3
2.15
2
6711
118
LYS
HE3
2.15
1
4562
96
LYS
HE3
2.15
1
6415
97
LYS
HE3
2.15
2
5803
97
LYS
HE3
2.15
2
15329
76
LYS
HE3
2.153
2
10146
83
LYS
HE3
2.159
2
7002
4
LYS
HE3
2.16
2
5048
41
LYS
HE3
2.16
1
5329
17
LYS
HE3
2.16
2
10142
84
LYS
HE3
2.163
2
17005
122
LYS
HE3
2.163
2
17300
104
LYS
HE3
2.166
2
15811
48
LYS
HE3
2.167
2
5069
97
LYS
HE3
2.17
2
5128
35
LYS
HE3
2.17
4
7159
96
LYS
HE3
2.17
.
15536
54
LYS
HE3
2.172
2
15280
72
LYS
HE3
2.173
1
10326
88
LYS
HE3
2.176
2
17838
28
LYS
HE3
2.18
2
16688
46
LYS
HE3
2.18
2
10042
99
LYS
HE3
2.18
2
15577
8
LYS
HE3
2.18
2
11107
51
LYS
HE3
2.185
2
10068
124
LYS
HE3
2.186
2
10331
84
LYS
HE3
2.188
2
11297
62
LYS
HE3
2.19
2
15837
92
LYS
HE3
2.19
2
5241
54
LYS
HE3
2.19
1
5807
97
LYS
HE3
2.19
2
4052
133
LYS
HE3
2.19
.
16141
36
LYS
HE3
2.19
.
17838
106
LYS
HE3
2.19
2
4472
7
LYS
HE3
2.19
2
7036
32
LYS
HE3
2.192
2
18346
46
LYS
HE3
2.194
2
11033
81
LYS
HE3
2.198
2
16832
44
LYS
HE3
2.2
.
15616
122
LYS
HE3
2.2
1
4382
50
LYS
HE3
2.2
2
10162
92
LYS
HE3
2.202
2
18916
68
LYS
HE3
2.204
2
4371
46
LYS
HE3
2.205
.
18094
109
LYS
HE3
2.206
2
11197
74
LYS
HE3
2.207
2
15991
103
LYS
HE3
2.207
2
15615
202
LYS
HE3
2.209
1
7281
13
LYS
HE3
2.21
1
6576
7
LYS
HE3
2.21
2
6576
7
LYS
HE3
2.21
2
16192
14
LYS
HE3
2.213
2
16386
18
LYS
HE3
2.215
2
17481
96
LYS
HE3
2.217
1
18628
14
LYS
HE3
2.219
2
4083
6
LYS
HE3
2.22
2
17233
78
LYS
HE3
2.221
2
19048
74
LYS
HE3
2.224
1
7242
8
LYS
HE3
2.224
2
15074
45
LYS
HE3
2.225
1
6854
10
LYS
HE3
2.226
1
15927
124
LYS
HE3
2.226
2
10164
48
LYS
HE3
2.226
2
18183
77
LYS
HE3
2.228
2
6725
106
LYS
HE3
2.23
1
4828
88
LYS
HE3
2.23
.
16791
18
LYS
HE3
2.231
2
11124
122
LYS
HE3
2.232
2
6333
66
LYS
HE3
2.235
2
4715
28
LYS
HE3
2.239
2
18487
31
LYS
HE3
2.24
1
15028
116
LYS
HE3
2.241
2
15458
72
LYS
HE3
2.241
1
17995
102
LYS
HE3
2.242
2
10160
93
LYS
HE3
2.243
2
15633
29
LYS
HE3
2.243
2
15935
56
LYS
HE3
2.244
2
19047
74
LYS
HE3
2.246
1
10290
58
LYS
HE3
2.246
2
11032
79
LYS
HE3
2.246
2
6135
5
LYS
HE3
2.247
1
5623
65
LYS
HE3
2.248
1
15615
72
LYS
HE3
2.248
1
19001
107
LYS
HE3
2.249
9
17825
45
LYS
HE3
2.25
2
16832
110
LYS
HE3
2.25
.
17299
61
LYS
HE3
2.255
2
18322
78
LYS
HE3
2.255
2
16444
74
LYS
HE3
2.257
1
11252
33
LYS
HE3
2.257
2
16789
61
LYS
HE3
2.257
2
18837
64
LYS
HE3
2.258
2
17705
51
LYS
HE3
2.259
2
5567
9
LYS
HE3
2.26
1
18013
133
LYS
HE3
2.26
2
18001
32
LYS
HE3
2.26
1
6563
4
LYS
HE3
2.265
1
16731
67
LYS
HE3
2.266
1
10058
25
LYS
HE3
2.268
2
16266
57
LYS
HE3
2.269
2
16782
22
LYS
HE3
2.27
2
16832
127
LYS
HE3
2.27
.
19047
74
LYS
HE3
2.27
1
6454
74
LYS
HE3
2.27
2
5397
28
LYS
HE3
2.27
1
11227
44
LYS
HE3
2.272
2
17523
153
LYS
HE3
2.273
2
18325
78
LYS
HE3
2.274
2
4092
96
LYS
HE3
2.28
2
4491
70
LYS
HE3
2.28
2
4347
12
LYS
HE3
2.28
1
15279
73
LYS
HE3
2.28
2
4140
70
LYS
HE3
2.28
2
6755
116
LYS
HE3
2.281
1
11142
9
LYS
HE3
2.282
2
16630
123
LYS
HE3
2.284
2
15028
4
LYS
HE3
2.284
2
16362
123
LYS
HE3
2.285
2
18438
7
LYS
HE3
2.285
2
15322
74
LYS
HE3
2.285
2
17300
61
LYS
HE3
2.285
2
11305
35
LYS
HE3
2.286
2
15057
55
LYS
HE3
2.29
1
7252
6
LYS
HE3
2.29
2
5622
27
LYS
HE3
2.29
1
4722
37
LYS
HE3
2.29
1
4288
36
LYS
HE3
2.29
2
15655
8
LYS
HE3
2.29
2
15345
1
LYS
HE3
2.29
9
17369
60
LYS
HE3
2.291
2
16979
3
LYS
HE3
2.292
2
10159
73
LYS
HE3
2.297
2
11245
73
LYS
HE3
2.297
2
6600
12
LYS
HE3
2.298
2
6256
94
LYS
HE3
2.3
2
15341
49
LYS
HE3
2.3
2
1516
25
LYS
HE3
2.3
2
5068
34
LYS
HE3
2.3
2
7160
33
LYS
HE3
2.3
.
15943
101
LYS
HE3
2.3
2
4101
168
LYS
HE3
2.3
2
4446
54
LYS
HE3
2.3
.
4758
14
LYS
HE3
2.3
1
10145
73
LYS
HE3
2.301
2
15722
102
LYS
HE3
2.302
2
17816
48
LYS
HE3
2.303
2
18260
30
LYS
HE3
2.305
2