LYS HE2 Chemical Shift Outliers

___________________________________________________
LYS HE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
39857
2.909
-.493
42.02
0.291


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4821
53
LYS
HE2
3.788
1
11298
14
LYS
HE2
3.797
1
17497
64
LYS
HE2
3.799
2
17399
132
LYS
HE2
3.8
2
5127
36
LYS
HE2
3.8
2
4161
74
LYS
HE2
3.8
2
11298
9
LYS
HE2
3.8
1
19834
194
LYS
HE2
3.807
.
11298
11
LYS
HE2
3.811
1
16043
140
LYS
HE2
3.839
2
25160
92
LYS
HE2
3.84
2
25691
48
LYS
HE2
3.85
2
5142
13
LYS
HE2
3.855
.
19731
131
LYS
HE2
3.86
1
26725
84
LYS
HE2
3.866
.
6826
42
LYS
HE2
3.874
2
18350
10
LYS
HE2
3.879
2
6540
68
LYS
HE2
3.89
2
4313
85
LYS
HE2
3.9
2
4001
49
LYS
HE2
3.9
1
1399
55
LYS
HE2
3.91
2
1398
55
LYS
HE2
3.91
2
1396
55
LYS
HE2
3.91
2
1397
55
LYS
HE2
3.91
2
15393
60
LYS
HE2
3.92
.
4216
30
LYS
HE2
3.92
1
4179
10
LYS
HE2
3.92
1
1655
9
LYS
HE2
3.93
1
17399
69
LYS
HE2
3.93
2
5130
1
LYS
HE2
3.935
.
5402
42
LYS
HE2
3.94
1
26760
80
LYS
HE2
3.958
1
5100
20
LYS
HE2
3.96
1
15424
96
LYS
HE2
3.986
1
5100
20
LYS
HE2
3.99
1
4435
80
LYS
HE2
4.05
2
6519
44
LYS
HE2
4.058
2
25477
18
LYS
HE2
4.069
2
30421
137
LYS
HE2
4.07
2
4832
55
LYS
HE2
4.07
.
4832
27
LYS
HE2
4.07
.
6519
15
LYS
HE2
4.076
2
19854
99
LYS
HE2
4.085
2
11429
55
LYS
HE2
4.09
2
6118
23
LYS
HE2
4.1
1
5213
18
LYS
HE2
4.13
1
25459
63
LYS
HE2
4.134
2
25477
52
LYS
HE2
4.139
2
4368
14
LYS
HE2
4.16
1
4271
23
LYS
HE2
4.18
1
25833
38
LYS
HE2
4.2
2
25828
38
LYS
HE2
4.2
2
15992
15
LYS
HE2
4.216
2
5239
72
LYS
HE2
4.31
2
4417
54
LYS
HE2
4.32
1
17416
208
LYS
HE2
4.345
2
4486
63
LYS
HE2
4.36
2
15424
107
LYS
HE2
4.361
1
4744
10
LYS
HE2
4.402
.
4486
61
LYS
HE2
4.43
2
4368
74
LYS
HE2
4.62
1
16443
58
LYS
HE2
4.629
2
30295
151
LYS
HE2
42.02
2
19854
127
LYS
HE2
5.731
2
26046
38
LYS
HE2
7.344
2
7299
2
LYS
HE2
7.75
2
5325
56
LYS
HE2
8.371
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5130
97
LYS
HE2
-.42
.
5142
97
LYS
HE2
-.493
.
6626
68
LYS
HE2
.11
2
6340
79
LYS
HE2
.312
2
11244
44
LYS
HE2
.464
2
19876
115
LYS
HE2
.5
1
17022
47
LYS
HE2
.606
2
5274
10
LYS
HE2
.67
2
4011
70
LYS
HE2
.67
4
6286
49
LYS
HE2
.6935
4
25640
99
LYS
HE2
.709
1
5828
99
LYS
HE2
.72
4
4743
10
LYS
HE2
.72
2
19709
113
LYS
HE2
.764
2
15607
191
LYS
HE2
.89
1
15707
81
LYS
HE2
.916
1
16053
35
LYS
HE2
.941
.
10098
71
LYS
HE2
.949
2
10312
10
LYS
HE2
.965
2
4985
119
LYS
HE2
1
2
10311
13
LYS
HE2
1.027
2
4748
82
LYS
HE2
1.09
1
5573
81
LYS
HE2
1.1
1
4748
82
LYS
HE2
1.105
1
17418
69
LYS
HE2
1.109
.
10249
20
LYS
HE2
1.113
2
4360
128
LYS
HE2
1.13
2
11086
119
LYS
HE2
1.15
2
11147
64
LYS
HE2
1.158
2
15877
52
LYS
HE2
1.159
2
5875
31
LYS
HE2
1.165
2
10126
89
LYS
HE2
1.178
2
11300
42
LYS
HE2
1.185
2
5809
61
LYS
HE2
1.22
4
25793
20
LYS
HE2
1.225
.
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
5630
52
LYS
HE2
1.26
2
11532
60
LYS
HE2
1.264
2
11472
93
LYS
HE2
1.284
2
11147
148
LYS
HE2
1.285
2
25907
55
LYS
HE2
1.29
.
447
52
LYS
HE2
1.31
2
11128
85
LYS
HE2
1.311
2
18710
29
LYS
HE2
1.313
.
11499
93
LYS
HE2
1.338
2
25986
70
LYS
HE2
1.341
2
15688
105
LYS
HE2
1.352
2
15039
105
LYS
HE2
1.352
1
16117
50
LYS
HE2
1.355
1
17534
88
LYS
HE2
1.359
2
11549
56
LYS
HE2
1.373
1
15954
47
LYS
HE2
1.377
2
25987
70
LYS
HE2
1.379
2
4486
44
LYS
HE2
1.38
2
11158
54
LYS
HE2
1.388
2
6001
37
LYS
HE2
1.39
2
16164
46
LYS
HE2
1.397
2
10107
82
LYS
HE2
1.403
2
18951
45
LYS
HE2
1.404
2
6999
3
LYS
HE2
1.447
2
34058
11
LYS
HE2
1.469
2
34041
11
LYS
HE2
1.48
1
34140
46
LYS
HE2
1.481
2
6873
257
LYS
HE2
1.485
2
25753
30
LYS
HE2
1.497
.
7036
32
LYS
HE2
1.498
2
17732
52
LYS
HE2
1.51
2
25793
62
LYS
HE2
1.514
.
10279
14
LYS
HE2
1.532
2
26059
53
LYS
HE2
1.54
2
26060
53
LYS
HE2
1.54
2
11089
24
LYS
HE2
1.543
2
17067
140
LYS
HE2
1.55
2
19001
31
LYS
HE2
1.554
9
11500
91
LYS
HE2
1.56
2
30296
45
LYS
HE2
1.561
2
15577
8
LYS
HE2
1.57
2
36086
102
LYS
HE2
1.575
.
5304
47
LYS
HE2
1.58
1
19526
65
LYS
HE2
1.58
2
10163
85
LYS
HE2
1.58
2
15085
65
LYS
HE2
1.58
1
25309
37
LYS
HE2
1.581
.
19511
30
LYS
HE2
1.582
2
25909
32
LYS
HE2
1.585
2
34121
206
LYS
HE2
1.592
2
15003
19
LYS
HE2
1.598
2
15466
20
LYS
HE2
1.598
2
34104
72
LYS
HE2
1.6
.
34103
72
LYS
HE2
1.6
.
34307
6
LYS
HE2
1.6
2
5809
61
LYS
HE2
1.6
4
25979
11
LYS
HE2
1.603
2
6988
37
LYS
HE2
1.604
2
10251
20
LYS
HE2
1.605
2
15325
87
LYS
HE2
1.61
.
36162
69
LYS
HE2
1.61
2
6731
60
LYS
HE2
1.613
2
17250
140
LYS
HE2
1.613
2
4360
53
LYS
HE2
1.62
2
10314
10
LYS
HE2
1.62
2
6030
62
LYS
HE2
1.62
1
18115
60
LYS
HE2
1.623
2
25793
70
LYS
HE2
1.624
.
6410
15
LYS
HE2
1.627
2
4050
46
LYS
HE2
1.63
2
17752
52
LYS
HE2
1.631
2
19394
31
LYS
HE2
1.639
2
27032
39
LYS
HE2
1.64
2
5220
52
LYS
HE2
1.645
2
15800
63
LYS
HE2
1.65
2
7184
79
LYS
HE2
1.65
2
4774
40
LYS
HE2
1.65
1
6844
77
LYS
HE2
1.65
2
5810
21
LYS
HE2
1.651
2
25354
50
LYS
HE2
1.652
2
18390
36
LYS
HE2
1.652
2
17653
67
LYS
HE2
1.66
2
25793
41
LYS
HE2
1.66
.
10313
12
LYS
HE2
1.662
2
5502
13
LYS
HE2
1.665
1
30221
31
LYS
HE2
1.668
2
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
25857
44
LYS
HE2
1.6756
2
11193
38
LYS
HE2
1.678
2
16629
140
LYS
HE2
1.686
2
16444
31
LYS
HE2
1.694
1
5867
38
LYS
HE2
1.696
1
15509
85
LYS
HE2
1.7
2
4382
50
LYS
HE2
1.7
2
7153
1
LYS
HE2
1.7
.
17416
243
LYS
HE2
1.702
2
15607
3
LYS
HE2
1.706
1
6571
15
LYS
HE2
1.716
2
30537
117
LYS
HE2
1.72
2
17691
50
LYS
HE2
1.72
2
16858
59
LYS
HE2
1.721
2
16163
85
LYS
HE2
1.722
1
10255
10
LYS
HE2
1.725
2
10248
54
LYS
HE2
1.725
2
15439
22
LYS
HE2
1.729
.
25432
231
LYS
HE2
1.73
1
34104
202
LYS
HE2
1.73
.
34103
202
LYS
HE2
1.73
.
7153
13
LYS
HE2
1.73
.
7105
135
LYS
HE2
1.731
2
10295
40
LYS
HE2
1.733
2
16412
11
LYS
HE2
1.737
2
17044
11
LYS
HE2
1.737
2
19625
31
LYS
HE2
1.74
2
4639
34
LYS
HE2
1.745
2
11208
47
LYS
HE2
1.748
2
19109
41
LYS
HE2
1.748
2
4078
15
LYS
HE2
1.75
1
10107
105
LYS
HE2
1.754
2
30529
17
LYS
HE2
1.76
2
10039
84
LYS
HE2
1.76
2
6539
16
LYS
HE2
1.763
1
30327
7
LYS
HE2
1.763
1
4562
1
LYS
HE2
1.77
2
19508
82
LYS
HE2
1.771
2
11132
58
LYS
HE2
1.773
2
19807
26
LYS
HE2
1.774
2
16124
98
LYS
HE2
1.776
2
16832
124
LYS
HE2
1.78
.
18788
9
LYS
HE2
1.78
1
4079
56
LYS
HE2
1.78
1
34124
65
LYS
HE2
1.782
.
16859
59
LYS
HE2
1.784
2
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
30220
31
LYS
HE2
1.791
2
30220
31
LYS
HE2
1.791
2
11339
50
LYS
HE2
1.792
2
16082
82
LYS
HE2
1.797
2
1696
16
LYS
HE2
1.8
1
4052
9
LYS
HE2
1.8
.
6469
49
LYS
HE2
1.803
2
11290
80
LYS
HE2
1.805
2
30088
31
LYS
HE2
1.807
2
16958
31
LYS
HE2
1.808
2
7104
38
LYS
HE2
1.81
2
5397
35
LYS
HE2
1.81
2
18320
72
LYS
HE2
1.811
2
6575
49
LYS
HE2
1.813
2
10324
74
LYS
HE2
1.815
2
7025
46
LYS
HE2
1.817
2
18013
9
LYS
HE2
1.818
2
15089
39
LYS
HE2
1.82
2
4053
9
LYS
HE2
1.82
.
5329
17
LYS
HE2
1.82
2
16795
42
LYS
HE2
1.82
2
19106
53
LYS
HE2
1.821
.
6280
31
LYS
HE2
1.824
2
25000
30
LYS
HE2
1.829
2
10126
52
LYS
HE2
1.829
2
18435
32
LYS
HE2
1.83
2
25956
62
LYS
HE2
1.831
2
26553
94
LYS
HE2
1.834
2
15408
32
LYS
HE2
1.835
2
10084
85
LYS
HE2
1.836
2
18518
51
LYS
HE2
1.84
1
16384
61
LYS
HE2
1.84
2
4973
32
LYS
HE2
1.84
2
25908
55
LYS
HE2
1.841
.
17706
51
LYS
HE2
1.845
2
7203
29
LYS
HE2
1.849
.
7280
33
LYS
HE2
1.85
2
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
4838
38
LYS
HE2
1.86
2
5392
49
LYS
HE2
1.86
2
15517
96
LYS
HE2
1.86
2
18548
10
LYS
HE2
1.863
2
10125
29
LYS
HE2
1.863
2
15785
5
LYS
HE2
1.868
.
15607
155
LYS
HE2
1.87
1
15958
77
LYS
HE2
1.871
2
19834
186
LYS
HE2
1.875
.
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
27240
60
LYS
HE2
1.879
.
10315
11
LYS
HE2
1.879
2
4681
3
LYS
HE2
1.88
.
5823
26
LYS
HE2
1.88
2
5004
89
LYS
HE2
1.88
1
5821
26
LYS
HE2
1.88
2
19428
25
LYS
HE2
1.882
.
10296
30
LYS
HE2
1.885
2
18507
43
LYS
HE2
1.886
2
25919
51
LYS
HE2
1.886
2
10333
103
LYS
HE2
1.886
2
10316
85
LYS
HE2
1.888
2
11128
61
LYS
HE2
1.889
2
25681
32
LYS
HE2
1.894
.
15288
96
LYS
HE2
1.9
2
16316
24
LYS
HE2
1.9
2
15622
17
LYS
HE2
1.9
2
10319
10
LYS
HE2
1.907
2
17369
68
LYS
HE2
1.909
2
11089
41
LYS
HE2
1.91
2
27536
42
LYS
HE2
1.91
2
15763
73
LYS
HE2
1.91
1
25188
29
LYS
HE2
1.912
2
6049
97
LYS
HE2
1.919
.
18801
90
LYS
HE2
1.92
.
4969
98
LYS
HE2
1.92
2
4838
51
LYS
HE2
1.92
1
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
19807
86
LYS
HE2
1.936
2
15616
122
LYS
HE2
1.939
1
19398
53
LYS
HE2
1.94
2
6519
65
LYS
HE2
1.943
2
30550
117
LYS
HE2
1.944
2
16109
50
LYS
HE2
1.946
2
6280
116
LYS
HE2
1.947
2
17481
96
LYS
HE2
1.95
1
17694
59
LYS
HE2
1.95
.
18788
133
LYS
HE2
1.95
2
1696
140
LYS
HE2
1.95
2
34294
28
LYS
HE2
1.951
.
19001
107
LYS
HE2
1.951
9
11086
96
LYS
HE2
1.951
2
15615
202
LYS
HE2
1.952
1
17576
41
LYS
HE2
1.953
2
5194
28
LYS
HE2
1.96
2
27688
83
LYS
HE2
1.96
2
4092
96
LYS
HE2
1.96
2
18130
55
LYS
HE2
1.962
2
18944
30
LYS
HE2
1.962
1
16791
18
LYS
HE2
1.963
2
27168
31
LYS
HE2
1.963
2
11569
112
LYS
HE2
1.963
2
15568
63
LYS
HE2
1.966
2
27167
31
LYS
HE2
1.968
2
25309
32
LYS
HE2
1.969
.
5366
40
LYS
HE2
1.97
2
18182
63
LYS
HE2
1.972
2
17382
113
LYS
HE2
1.974
2
18455
13
LYS
HE2
1.976
2
11086
69
LYS
HE2
1.978
2
10313
19
LYS
HE2
1.979
1
19432
102
LYS
HE2
1.98
2
5048
41
LYS
HE2
1.98
1
4867
25
LYS
HE2
1.98
1
25324
128
LYS
HE2
1.982
2
25306
129
LYS
HE2
1.982
2
34243
23
LYS
HE2
1.984
2
5937
100
LYS
HE2
1.985
1
10319
68
LYS
HE2
1.988
2
10159
73
LYS
HE2
1.988
2
19710
17
LYS
HE2
1.989
2
18435
136
LYS
HE2
1.99
2
18183
78
LYS
HE2
1.99
2
18934
85
LYS
HE2
1.99
1
6519
53
LYS
HE2
1.995
2
4110
69
LYS
HE2
2
2
4858
29
LYS
HE2
2
2
5622
28
LYS
HE2
2
1
10273
69
LYS
HE2
2
2
16944
45
LYS
HE2
2
2
11457
82
LYS
HE2
2.002
2
15927
124
LYS
HE2
2.003
2
30521
27
LYS
HE2
2.003
.
16955
96
LYS
HE2
2.003
2
25342
96
LYS
HE2
2.005
2
18906
61
LYS
HE2
2.007
.
25171
32
LYS
HE2
2.008
.
7002
4
LYS
HE2
2.01
2
4682
3
LYS
HE2
2.01
.
10269
58
LYS
HE2
2.01
2
10317
40
LYS
HE2
2.013
2
27666
12
LYS
HE2
2.015
2
6376
48
LYS
HE2
2.02
2
4138
9
LYS
HE2
2.02
1
27030
39
LYS
HE2
2.021
2
10331
84
LYS
HE2
2.021
2
10280
16
LYS
HE2
2.023
2
11468
92
LYS
HE2
2.023
2
25839
129
LYS
HE2
2.024
2
4233
34
LYS
HE2
2.0246
2
17421
50
LYS
HE2
2.025
2
6519
60
LYS
HE2
2.025
2
4234
19
LYS
HE2
2.029
2
15939
59
LYS
HE2
2.029
2
25567
96
LYS
HE2
2.029
.
4233
25
LYS
HE2
2.0292
2
4234
40
LYS
HE2
2.0294
2
4234
4
LYS
HE2
2.0297
2
18615
158
LYS
HE2
2.03
2
25908
79
LYS
HE2
2.03
.
4053
133
LYS
HE2
2.03
.
4855
41
LYS
HE2
2.03
9
34121
164
LYS
HE2
2.031
2
5844
16
LYS
HE2
2.033
2
16992
128
LYS
HE2
2.033
1
17808
9
LYS
HE2
2.033
.
11531
46
LYS
HE2
2.034
.
17750
85
LYS
HE2
2.034
2