LYS HE2 Chemical Shift Outliers

___________________________________________________
LYS HE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
21579
2.915
1.226
4.43
0.190


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6003
66
LYS
HE2
3.49
1
4446
85
LYS
HE2
3.49
.
6950
51
LYS
HE2
3.493
1
6826
47
LYS
HE2
3.493
2
6950
48
LYS
HE2
3.493
1
20090
1
LYS
HE2
3.5
2
4901
56
LYS
HE2
3.5
1
6150
7
LYS
HE2
3.5
2
18197
45
LYS
HE2
3.502
2
11255
115
LYS
HE2
3.503
1
18260
51
LYS
HE2
3.506
1
6433
23
LYS
HE2
3.51
2
4375
33
LYS
HE2
3.514
2
6272
54
LYS
HE2
3.52
1
5678
54
LYS
HE2
3.52
1
16111
39
LYS
HE2
3.522
2
17923
22
LYS
HE2
3.527
1
18039
61
LYS
HE2
3.527
2
6912
19
LYS
HE2
3.53
2
4797
32
LYS
HE2
3.53
2
1633
29
LYS
HE2
3.53
2
6003
158
LYS
HE2
3.532
1
20127
11
LYS
HE2
3.54
2
15424
131
LYS
HE2
3.543
1
6868
61
LYS
HE2
3.547
1
15470
75
LYS
HE2
3.5488
2
4848
198
LYS
HE2
3.55
.
16571
39
LYS
HE2
3.55
2
19049
22
LYS
HE2
3.55
1
5187
89
LYS
HE2
3.56
2
6004
152
LYS
HE2
3.56
1
16666
49
LYS
HE2
3.565
2
4901
95
LYS
HE2
3.57
1
20127
6
LYS
HE2
3.58
2
6326
25
LYS
HE2
3.589
.
5377
29
LYS
HE2
3.6
1
15305
5
LYS
HE2
3.614
1
15305
5
LYS
HE2
3.614
1
17233
61
LYS
HE2
3.614
2
6013
58
LYS
HE2
3.62
1
7064
12
LYS
HE2
3.637
4
7064
30
LYS
HE2
3.639
1
4369
28
LYS
HE2
3.64
2
4574
62
LYS
HE2
3.65
1
15723
99
LYS
HE2
3.653
2
5297
38
LYS
HE2
3.66
2
18531
31
LYS
HE2
3.69
2
5943
16
LYS
HE2
3.71
1
11299
62
LYS
HE2
3.723
1
5241
85
LYS
HE2
3.73
1
4142
11
LYS
HE2
3.73
1
17139
26
LYS
HE2
3.733
2
4931
87
LYS
HE2
3.75
1
6254
57
LYS
HE2
3.752
2
17806
71
LYS
HE2
3.755
2
16614
42
LYS
HE2
3.78
2
4821
53
LYS
HE2
3.788
1
11298
14
LYS
HE2
3.797
1
4161
74
LYS
HE2
3.8
2
17399
132
LYS
HE2
3.8
2
5127
36
LYS
HE2
3.8
2
11298
9
LYS
HE2
3.8
1
11298
11
LYS
HE2
3.811
1
6826
42
LYS
HE2
3.874
2
18350
10
LYS
HE2
3.879
2
6540
68
LYS
HE2
3.89
2
1398
55
LYS
HE2
3.91
2
1396
55
LYS
HE2
3.91
2
1397
55
LYS
HE2
3.91
2
1399
55
LYS
HE2
3.91
2
4179
10
LYS
HE2
3.92
1
17399
69
LYS
HE2
3.93
2
5402
42
LYS
HE2
3.94
1
5100
20
LYS
HE2
3.96
1
15424
96
LYS
HE2
3.986
1
5100
20
LYS
HE2
3.99
1
4832
27
LYS
HE2
4.07
.
4832
55
LYS
HE2
4.07
.
6118
23
LYS
HE2
4.1
1
4271
23
LYS
HE2
4.18
1
15992
15
LYS
HE2
4.216
2
4417
54
LYS
HE2
4.32
1
4486
63
LYS
HE2
4.36
2
15424
107
LYS
HE2
4.361
1
4486
61
LYS
HE2
4.43
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18277
63
LYS
HE2
1.226
2
18709
56
LYS
HE2
1.245
2
4336
102
LYS
HE2
1.25
2
17840
50
LYS
HE2
1.256
1
18710
29
LYS
HE2
1.313
.
15039
105
LYS
HE2
1.352
1
15688
105
LYS
HE2
1.352
2
16117
50
LYS
HE2
1.355
1
4486
44
LYS
HE2
1.38
2
16164
46
LYS
HE2
1.397
2
10107
82
LYS
HE2
1.403
2
7036
32
LYS
HE2
1.498
2
19001
31
LYS
HE2
1.554
9
15577
8
LYS
HE2
1.57
2
10163
85
LYS
HE2
1.58
2
15085
65
LYS
HE2
1.58
1
6988
37
LYS
HE2
1.604
2
10251
20
LYS
HE2
1.605
2
15325
87
LYS
HE2
1.61
.
6731
60
LYS
HE2
1.613
2
17250
140
LYS
HE2
1.613
2
18115
60
LYS
HE2
1.623
2
6410
15
LYS
HE2
1.627
2
4774
40
LYS
HE2
1.65
1
15800
63
LYS
HE2
1.65
2
5810
21
LYS
HE2
1.651
2
18390
36
LYS
HE2
1.652
2
17653
67
LYS
HE2
1.66
2
10313
12
LYS
HE2
1.662
2
5502
13
LYS
HE2
1.665
1
16882
31
LYS
HE2
1.668
2
16072
8
LYS
HE2
1.67
2
17002
69
LYS
HE2
1.671
2
6280
270
LYS
HE2
1.672
2
16569
45
LYS
HE2
1.675
2
16629
140
LYS
HE2
1.686
2
16444
31
LYS
HE2
1.694
1
7153
1
LYS
HE2
1.7
.
4382
50
LYS
HE2
1.7
2
17691
50
LYS
HE2
1.72
2
16163
85
LYS
HE2
1.722
1
10248
54
LYS
HE2
1.725
2
10255
10
LYS
HE2
1.725
2
7153
13
LYS
HE2
1.73
.
7105
135
LYS
HE2
1.731
2
10295
40
LYS
HE2
1.733
2
17044
11
LYS
HE2
1.737
2
16412
11
LYS
HE2
1.737
2
4639
34
LYS
HE2
1.745
2
19109
41
LYS
HE2
1.748
2
10107
105
LYS
HE2
1.754
2
10039
84
LYS
HE2
1.76
2
4562
1
LYS
HE2
1.77
2
11132
58
LYS
HE2
1.773
2
18788
9
LYS
HE2
1.78
1
16832
124
LYS
HE2
1.78
.
4079
56
LYS
HE2
1.78
1
11245
56
LYS
HE2
1.786
2
16411
11
LYS
HE2
1.788
2
5319
41
LYS
HE2
1.79
1
4722
64
LYS
HE2
1.79
1
16585
9
LYS
HE2
1.79
1
17838
28
LYS
HE2
1.79
2
11339
50
LYS
HE2
1.792
2
16082
82
LYS
HE2
1.797
2
4052
9
LYS
HE2
1.8
.
1696
16
LYS
HE2
1.8
1
6469
49
LYS
HE2
1.803
2
16958
31
LYS
HE2
1.808
2
5397
35
LYS
HE2
1.81
2
18320
72
LYS
HE2
1.811
2
10324
74
LYS
HE2
1.815
2
7025
46
LYS
HE2
1.817
2
18013
9
LYS
HE2
1.818
2
5329
17
LYS
HE2
1.82
2
6280
31
LYS
HE2
1.824
2
18435
32
LYS
HE2
1.83
2
15408
32
LYS
HE2
1.835
2
16384
61
LYS
HE2
1.84
2
4973
32
LYS
HE2
1.84
2
17706
51
LYS
HE2
1.845
2
7203
26
LYS
HE2
1.849
.
17745
70
LYS
HE2
1.85
2
10326
88
LYS
HE2
1.856
2
15603
28
LYS
HE2
1.857
2
4893
83
LYS
HE2
1.86
1
16883
62
LYS
HE2
1.876
2
10047
19
LYS
HE2
1.877
2
10252
64
LYS
HE2
1.878
2
10142
84
LYS
HE2
1.879
2
5821
26
LYS
HE2
1.88
2
5004
89
LYS
HE2
1.88
1
5823
26
LYS
HE2
1.88
2
18507
43
LYS
HE2
1.886
2
10333
103
LYS
HE2
1.886
2
10316
85
LYS
HE2
1.888
2
15288
96
LYS
HE2
1.9
2
17369
68
LYS
HE2
1.909
2
15763
73
LYS
HE2
1.91
1
4969
98
LYS
HE2
1.92
2
10162
92
LYS
HE2
1.926
2
16549
70
LYS
HE2
1.93
2
6583
26
LYS
HE2
1.93
1
7231
101
LYS
HE2
1.934
4
6593
9
LYS
HE2
1.935
1
10146
83
LYS
HE2
1.936
2
15616
122
LYS
HE2
1.939
1
19398
53
LYS
HE2
1.94
2
16109
50
LYS
HE2
1.946
2
6280
116
LYS
HE2
1.947
2
18788
133
LYS
HE2
1.95
2
17481
96
LYS
HE2
1.95
1
1696
140
LYS
HE2
1.95
2
19001
107
LYS
HE2
1.951
9
15615
202
LYS
HE2
1.952
1
17576
41
LYS
HE2
1.953
2
4092
96
LYS
HE2
1.96
2
18130
55
LYS
HE2
1.962
2
16791
18
LYS
HE2
1.963
2
15568
63
LYS
HE2
1.966
2
18455
13
LYS
HE2
1.976
2
10313
19
LYS
HE2
1.979
1
5048
41
LYS
HE2
1.98
1
10159
73
LYS
HE2
1.988
2
18183
78
LYS
HE2
1.99
2
18435
136
LYS
HE2
1.99
2
16944
45
LYS
HE2
2
2
4110
69
LYS
HE2
2
2
5622
28
LYS
HE2
2
1
10273
69
LYS
HE2
2
2
4858
29
LYS
HE2
2
2
11457
82
LYS
HE2
2.002
2
15927
124
LYS
HE2
2.003
2
18906
61
LYS
HE2
2.007
.
7002
4
LYS
HE2
2.01
2
6376
48
LYS
HE2
2.02
2
10331
84
LYS
HE2
2.021
2
11468
92
LYS
HE2
2.023
2
10280
16
LYS
HE2
2.023
2
4233
34
LYS
HE2
2.0246
2
4234
19
LYS
HE2
2.029
2
15939
59
LYS
HE2
2.029
2
4233
25
LYS
HE2
2.0292
2
4234
40
LYS
HE2
2.0294
2
4234
4
LYS
HE2
2.0297
2
16992
128
LYS
HE2
2.033
1
5844
16
LYS
HE2
2.033
2
11507
145
LYS
HE2
2.037
1
16236
71
LYS
HE2
2.04
2
7105
51
LYS
HE2
2.04
2
5804
97
LYS
HE2
2.04
2
4774
45
LYS
HE2
2.04
1
5009
98
LYS
HE2
2.041
.
16267
88
LYS
HE2
2.046
2
5068
97
LYS
HE2
2.05
2
6415
97
LYS
HE2
2.05
2
5232
41
LYS
HE2
2.05
1
7160
96
LYS
HE2
2.05
.
11265
58
LYS
HE2
2.053
2
15349
34
LYS
HE2
2.053
2
6333
66
LYS
HE2
2.055
2
2169
41
LYS
HE2
2.06
9
16379
111
LYS
HE2
2.06
2
18281
98
LYS
HE2
2.06
2
6199
68
LYS
HE2
2.06
2
18111
35
LYS
HE2
2.067
2
7108
54
LYS
HE2
2.07
2
5803
97
LYS
HE2
2.07
2
5402
27
LYS
HE2
2.07
2
6333
58
LYS
HE2
2.071
2
16362
123
LYS
HE2
2.073
2
15279
73
LYS
HE2
2.077
2
18573
18
LYS
HE2
2.079
2
4255
122
LYS
HE2
2.08
2
4721
9
LYS
HE2
2.08
2
7159
96
LYS
HE2
2.08
.
4052
133
LYS
HE2
2.08
.
5069
97
LYS
HE2
2.08
2
17879
7
LYS
HE2
2.086
2
10006
93
LYS
HE2
2.088
2
15763
87
LYS
HE2
2.09
2
5381
41
LYS
HE2
2.09
1
11156
37
LYS
HE2
2.093
1
17110
72
LYS
HE2
2.094
1
16630
123
LYS
HE2
2.094
2
7109
54
LYS
HE2
2.095
2
5719
45
LYS
HE2
2.097
1
5162
24
LYS
HE2
2.1
2
4758
43
LYS
HE2
2.1
1
6022
12
LYS
HE2
2.1
1
5764
4
LYS
HE2
2.1
1
16463
36
LYS
HE2
2.102
2
11227
44
LYS
HE2
2.103
2
17582
41
LYS
HE2
2.104
2
6226
57
LYS
HE2
2.11
2
5982
83
LYS
HE2
2.11
.
17030
68
LYS
HE2
2.11
2
15837
92
LYS
HE2
2.11
2
10164
48
LYS
HE2
2.113
2
18434
13
LYS
HE2
2.115
2
6314
73
LYS
HE2
2.117
2
16864
36
LYS
HE2
2.118
.
18013
133
LYS
HE2
2.119
2
18317
95
LYS
HE2
2.12
1
5078
60
LYS
HE2
2.12
2
19049
57
LYS
HE2
2.12
1
17943
118
LYS
HE2
2.12
2
7252
6
LYS
HE2
2.12
2
5567
9
LYS
HE2
2.12
1
15536
54
LYS
HE2
2.122
2
4288
63
LYS
HE2
2.13
2
6705
97
LYS
HE2
2.13
.
18346
109
LYS
HE2
2.13
2
16176
32
LYS
HE2
2.134
1
11092
71
LYS
HE2
2.135
2
11010
96
LYS
HE2
2.136
2
15927
169
LYS
HE2
2.138
2
10334
83
LYS
HE2
2.139
2
19329
29
LYS
HE2
2.14
2
16002
90
LYS
HE2
2.14
.
5349
56
LYS
HE2
2.14
1
17325
109
LYS
HE2
2.141
2
6711
118
LYS
HE2
2.15
1
5982
34
LYS
HE2
2.15
.
16172
96
LYS
HE2
2.15
2
18432
17
LYS
HE2
2.151
.
18431
22
LYS
HE2
2.155
.
11107
29
LYS
HE2
2.157
2
11197
74
LYS
HE2
2.159
2
5982
63
LYS
HE2
2.16
.
15924
169
LYS
HE2
2.163
2
11209
65
LYS
HE2
2.164
2
18917
91
LYS
HE2
2.164
2
6613
84
LYS
HE2
2.164
2
17191
61
LYS
HE2
2.168
2
5128
35
LYS
HE2
2.17
4
11304
57
LYS
HE2
2.17
2
5605
54
LYS
HE2
2.17
2
6902
16
LYS
HE2
2.17
1
7224
10
LYS
HE2
2.17
2
7231
99
LYS
HE2
2.172
4
15280
72
LYS
HE2
2.173
1
18433
37
LYS
HE2
2.174
.
18839
98
LYS
HE2
2.18
1
4140
70
LYS
HE2
2.18
2
4491
70
LYS
HE2
2.18
2
18011
199
LYS
HE2
2.181
2
5667
40
LYS
HE2
2.183
.
16362
168
LYS
HE2
2.183
2
17033
23
LYS
HE2
2.184
2
6341
41
LYS
HE2
2.184
2
11061
180
LYS
HE2
2.185
2
16630
168
LYS
HE2
2.187
2
18152
112
LYS
HE2
2.189
2
16141
36
LYS
HE2
2.19
.
6291
49
LYS
HE2
2.19
2
5241
54
LYS
HE2
2.19
1
16585
133
LYS
HE2
2.19
2
15925
169
LYS
HE2
2.191
2
15126
76
LYS
HE2
2.193
2
10329
65
LYS
HE2
2.193
2
18966
84
LYS
HE2
2.194
2
18438
7
LYS
HE2
2.197
2
10160
93
LYS
HE2
2.199
2
4637
56
LYS
HE2
2.2
4
4775
75
LYS
HE2
2.2
2
4945
87
LYS
HE2
2.2
1
17038
14
LYS
HE2
2.2
2
10332
82
LYS
HE2
2.201
2
10036
83
LYS
HE2
2.204
2
7223
31
LYS
HE2
2.204
2
18990
29
LYS
HE2
2.204
2
15991
103
LYS
HE2
2.207
2
10161
84
LYS
HE2
2.209
2
15777
77
LYS
HE2
2.209
2
7281
13
LYS
HE2
2.21
1
5624
30
LYS
HE2
2.21
2
4812
26
LYS
HE2
2.21
2
6193
97
LYS
HE2
2.211
1
11305
35
LYS
HE2
2.215
2
10145
73
LYS
HE2
2.217
2
16008
63
LYS
HE2
2.219
2
15028
54
LYS
HE2
2.219
2
16362
158
LYS
HE2
2.219
2
16171
96
LYS
HE2
2.22
2
15288
78
LYS
HE2
2.22
2
5025
70
LYS
HE2
2.22
3
11057
76
LYS
HE2
2.221
1
6356
106
LYS
HE2
2.222
.
17169
68
LYS
HE2
2.225
2
15074
45
LYS
HE2
2.225
1
6829
40
LYS
HE2
2.226
2
6854
10
LYS
HE2
2.226
1
10272
38
LYS
HE2
2.228
2
18183
77
LYS
HE2
2.228
2
6159
188
LYS
HE2
2.23
2
6256
94
LYS
HE2
2.23
2
4828
88
LYS
HE2
2.23
.
6725
106
LYS
HE2
2.23
1
4417
97
LYS
HE2
2.23
2
15684
136
LYS
HE2
2.232
.
5880
33
LYS
HE2
2.238
1
6159
104
LYS
HE2
2.24
2
16170
96
LYS
HE2
2.24
2
16708
17
LYS
HE2
2.24
1
4972
41
LYS
HE2
2.24
2
18487
31
LYS
HE2
2.241
1
18541
47
LYS
HE2
2.241
1
15458
72
LYS
HE2
2.241
1
15528
112
LYS
HE2
2.243
2
15028
50
LYS
HE2
2.246
2
6769
80
LYS
HE2
2.246
1
15028
4
LYS
HE2
2.248
2
15615
72
LYS
HE2
2.248
1
15610
23
LYS
HE2
2.25
2
5539
49
LYS
HE2
2.25
2
16570
18
LYS
HE2
2.25
2
16236
76
LYS
HE2
2.25
2
15776
57
LYS
HE2
2.25
2
16832
110
LYS
HE2
2.25
.
15167
38
LYS
HE2
2.25
2
16009
72
LYS
HE2
2.251
2
18346
46
LYS
HE2
2.252
2
16630
158
LYS
HE2
2.252
2
5974
19
LYS
HE2
2.253
2
16613
194
LYS
HE2
2.253
2
16444
74
LYS
HE2
2.257
1
7022
78
LYS
HE2
2.257
2
10115
25
LYS
HE2
2.257
2
17705
51
LYS
HE2
2.259
2
5623
32
LYS
HE2
2.259
1
18001
32
LYS
HE2
2.26
1
5537
59
LYS
HE2
2.26
2
16708
109
LYS
HE2
2.26
1
11107
51
LYS
HE2
2.261
2
10069
77
LYS
HE2
2.262
2
15092
79
LYS
HE2
2.263
2
15925
74
LYS
HE2
2.264
2
15797
43
LYS
HE2
2.264
2
6563
4
LYS
HE2
2.265
1
16603
46
LYS
HE2
2.265
2
17005
122
LYS
HE2
2.265
2
16731
67
LYS
HE2
2.266
1
17282
46
LYS
HE2
2.266
2
10115
70
LYS
HE2
2.267
2
11181
90
LYS
HE2
2.267
2
5397
28
LYS
HE2
2.27
1
16782
22
LYS
HE2
2.27
2
6635
101
LYS
HE2
2.27
2
16832
127
LYS
HE2
2.27
.
4310
13
LYS
HE2
2.27
1
16871
7
LYS
HE2
2.272
2
10237
50
LYS
HE2
2.274
2
15927
159
LYS
HE2
2.274
2
10239
105
LYS
HE2
2.274
2
10238
96
LYS
HE2
2.275
2
10236
50
LYS
HE2
2.275
2
17405
91
LYS
HE2
2.275
2
16082
15
LYS
HE2
2.277
2
4737
112
LYS
HE2
2.278
1
19147
15
LYS
HE2
2.278
2
15783
98
LYS
HE2
2.278
.
491
51
LYS
HE2
2.28
2
4603
75
LYS
HE2
2.28
2
4347
12
LYS
HE2
2.28
1
5906
4
LYS
HE2
2.28
2
15750
7
LYS
HE2
2.28
2
16498
10
LYS
HE2
2.28
2
10290
58
LYS
HE2
2.28
2
10250
27
LYS
HE2
2.283
2
15028
116
LYS
HE2
2.283
2
10282
65
LYS
HE2
2.285
2
15322
74
LYS
HE2
2.285
2
2151
51
LYS
HE2
2.29
2
15999
54
LYS
HE2
2.29
2
5707
25
LYS
HE2
2.29
2
5622
27
LYS
HE2
2.29
1
10250
52
LYS
HE2
2.29
2
4722
37
LYS
HE2
2.29
1
4282
129
LYS
HE2
2.29
2
5217
77
LYS
HE2
2.29
2
15057
55
LYS
HE2
2.29
1
6631
53
LYS
HE2
2.295
2
18732
14
LYS
HE2
2.296
1
17299
61
LYS
HE2
2.298
2
4446
54
LYS
HE2
2.3
.
15341
49
LYS
HE2
2.3
2
15722
102
LYS
HE2
2.302
2
5880
66
LYS
HE2
2.303
1
7371
39
LYS
HE2
2.304
2
18637
45
LYS
HE2
2.305
2
11108
74
LYS
HE2
2.306
2
6127
16
LYS
HE2
2.306
2
17300
61
LYS
HE2
2.307
2
17229
14
LYS
HE2
2.308
2
18375
23
LYS
HE2
2.31
2
16478
51
LYS
HE2
2.312
2
11155
47
LYS
HE2
2.314
1
16153
25
LYS
HE2
2.316
2
6923
48
LYS
HE2
2.319
2
6272
62
LYS
HE2
2.32
1
6433
91
LYS
HE2
2.32
2
19006
75
LYS
HE2
2.321
2
17275
75
LYS
HE2
2.321
1
10137
138
LYS
HE2
2.322
2
17319
54
LYS
HE2
2.322
2
18187
68
LYS
HE2
2.323
2
17300
104
LYS
HE2
2.323
2
16874
136
LYS
HE2
2.324
2
15458
90
LYS
HE2
2.325
1
18320
62
LYS
HE2
2.326
2
16979
3
LYS
HE2
2.328
2
16147
65
LYS
HE2
2.33
1
5823
163
LYS
HE2
2.33
1
4849
119
LYS
HE2
2.33
1
16236
82
LYS
HE2
2.33
2
5578
40
LYS
HE2
2.33
.
4249
82
LYS
HE2
2.33
2
4092
100
LYS
HE2
2.33
2
6256
9
LYS
HE2
2.33
1
5822
45
LYS
HE2
2.33
1
6310
34
LYS
HE2
2.331
.
17233
78
LYS
HE2
2.332
2
15628
75
LYS
HE2
2.334
2
10131
82
LYS
HE2
2.334
2
6933
12
LYS
HE2
2.335
1
18628
14
LYS
HE2
2.335
2
11033
81
LYS
HE2
2.337
2
10124
18
LYS
HE2
2.337
2
18916
68
LYS
HE2
2.338
2
5654
50
LYS
HE2
2.3385
1
19044
97
LYS
HE2
2.34
2
18845
12
LYS
HE2
2.34
2
16442
105
LYS
HE2
2.34
2
18435
133
LYS
HE2
2.34
2
17595
59
LYS
HE2
2.34
1
5578
101
LYS
HE2
2.34
.
1478
34
LYS
HE2
2.34
2
16169
96
LYS
HE2
2.34
2
15210
59
LYS
HE2
2.341
2