LYS CE Chemical Shift Outliers

___________________________________________________
LYS CE Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
18669
41.896
30.477
52.196
0.827


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17653
40
LYS
CE
44.38
1
6705
84
LYS
CE
44.483
.
10215
37
LYS
CE
44.495
1
16682
68
LYS
CE
44.5
1
5481
32
LYS
CE
44.5
1
17577
68
LYS
CE
44.5
1
11157
24
LYS
CE
44.523
1
6989
70
LYS
CE
44.597
1
5578
101
LYS
CE
44.6
.
16175
115
LYS
CE
44.617
1
11109
93
LYS
CE
44.671
1
17045
59
LYS
CE
44.673
1
7248
60
LYS
CE
44.708
1
6826
42
LYS
CE
44.728
1
17653
49
LYS
CE
44.74
1
4879
140
LYS
CE
44.76
1
6955
38
LYS
CE
44.845
1
16632
12
LYS
CE
44.85
1
16632
12
LYS
CE
44.865
1
11102
112
LYS
CE
44.879
1
6279
8
LYS
CE
44.886
1
17260
65
LYS
CE
44.897
1
7286
72
LYS
CE
44.897
1
4098
90
LYS
CE
44.9
1
15429
90
LYS
CE
44.9
1
6932
121
LYS
CE
44.91
1
6705
70
LYS
CE
44.937
.
5884
18
LYS
CE
44.94
1
5659
142
LYS
CE
45.1
1
5085
68
LYS
CE
45.1
1
17505
68
LYS
CE
45.135
1
17725
82
LYS
CE
45.251
1
17005
16
LYS
CE
45.328
1
7131
72
LYS
CE
45.33
1
5814
53
LYS
CE
45.36
1
5568
25
LYS
CE
45.4
1
15097
203
LYS
CE
45.41
1
15097
53
LYS
CE
45.41
1
7025
10
LYS
CE
45.425
1
6086
43
LYS
CE
45.633
1
17127
69
LYS
CE
45.67
1
15427
21
LYS
CE
45.7
1
19196
28
LYS
CE
45.77
1
19193
28
LYS
CE
45.77
1
5189
52
LYS
CE
45.95
1
17398
80
LYS
CE
46.15
1
4901
56
LYS
CE
46.46
1
17866
49
LYS
CE
46.94
1
15120
4
LYS
CE
47.07
.
15723
99
LYS
CE
48.932
1
17950
42
LYS
CE
49.39
.
18152
23
LYS
CE
49.998
1
17233
61
LYS
CE
50.283
1
6679
19
LYS
CE
51.148
1
6981
30
LYS
CE
52.196
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4281
31
LYS
CE
30.477
1
6353
1
LYS
CE
30.7
1
6015
53
LYS
CE
31.566
1
6725
73
LYS
CE
34.81
1
16832
44
LYS
CE
35
1
18435
104
LYS
CE
35.07
1
17300
104
LYS
CE
35.757
1
5873
16
LYS
CE
35.8
1
6893
53
LYS
CE
35.897
1
16884
42
LYS
CE
36.3
1
4394
69
LYS
CE
36.3
1
16236
82
LYS
CE
36.32
1
4424
48
LYS
CE
36.36
1
16884
88
LYS
CE
36.4
1
6277
4
LYS
CE
36.414
1
17951
34
LYS
CE
36.418
1
16884
6
LYS
CE
36.5
1
16884
47
LYS
CE
36.5
1
16884
84
LYS
CE
36.5
1
16884
91
LYS
CE
36.5
1
16236
76
LYS
CE
36.51
1
17951
53
LYS
CE
36.547
1
18621
66
LYS
CE
36.585
1
16652
32
LYS
CE
36.7
1
16884
81
LYS
CE
36.8
1
6903
40
LYS
CE
36.931
1
5678
67
LYS
CE
37.1
1
6904
40
LYS
CE
37.35
1
15120
35
LYS
CE
37.48
.
6868
46
LYS
CE
37.575
1
17498
21
LYS
CE
37.601
1
17799
130
LYS
CE
37.652
1
5513
112
LYS
CE
37.672
1
6013
58
LYS
CE
37.8
1
5242
85
LYS
CE
37.803
1
4869
85
LYS
CE
38
1
18621
78
LYS
CE
38.031
1
5324
54
LYS
CE
38.031
1
17479
189
LYS
CE
38.068
1
15997
42
LYS
CE
38.099
1
17706
51
LYS
CE
38.175
1
16708
17
LYS
CE
38.2
1
16708
109
LYS
CE
38.2
1
15021
60
LYS
CE
38.208
9
15021
47
LYS
CE
38.208
9
18135
83
LYS
CE
38.245
1
5324
34
LYS
CE
38.247
1
15021
24
LYS
CE
38.248
9
4407
101
LYS
CE
38.25
1
15009
56
LYS
CE
38.266
1
6903
42
LYS
CE
38.2703
1
11226
14
LYS
CE
38.283
1
6649
42
LYS
CE
38.297
.
18048
24
LYS
CE
38.3
1
6484
94
LYS
CE
38.35
1
6904
42
LYS
CE
38.37
1
6604
60
LYS
CE
38.372
1
17951
61
LYS
CE
38.379
1
4901
20
LYS
CE
38.38
1
5678
94
LYS
CE
38.38
1
16549
70
LYS
CE
38.385
1
17479
23
LYS
CE
38.396
1
16708
184
LYS
CE
38.4
1
15938
54
LYS
CE
38.437
1
16002
90
LYS
CE
38.47
1
15763
73
LYS
CE
38.5
1
5992
38
LYS
CE
38.5
1
17170
11
LYS
CE
38.544
1
5324
87
LYS
CE
38.56
1
16236
110
LYS
CE
38.59
1
17479
70
LYS
CE
38.598
1
17479
69
LYS
CE
38.6
1
6004
53
LYS
CE
38.6
1
17726
5
LYS
CE
38.6
1
18048
68
LYS
CE
38.6
1
7248
61
LYS
CE
38.603
1
10273
69
LYS
CE
38.623
1
18113
28
LYS
CE
38.656
1
4281
42
LYS
CE
38.659
1
16236
118
LYS
CE
38.69
1
17479
127
LYS
CE
38.699
1
17512
129
LYS
CE
38.7
.
4248
5
LYS
CE
38.7
1
17479
186
LYS
CE
38.706
1
6903
17
LYS
CE
38.7205
1
17479
120
LYS
CE
38.724
1
17479
191
LYS
CE
38.732
1
17574
28
LYS
CE
38.735
1
6911
23
LYS
CE
38.75
1
16712
66
LYS
CE
38.752
1
17479
47
LYS
CE
38.762
1
17479
227
LYS
CE
38.762
1
6531
61
LYS
CE
38.779
.
4081
83
LYS
CE
38.78
1
6904
17
LYS
CE
38.8
1
17774
2
LYS
CE
38.8
1
18175
2
LYS
CE
38.8
1
16236
100
LYS
CE
38.8
1
5578
92
LYS
CE
38.8
.
16549
35
LYS
CE
38.807
1
11425
106
LYS
CE
38.816
1
11226
55
LYS
CE
38.831
1
15578
356
LYS
CE
38.846
1
15578
32
LYS
CE
38.848
1
16887
53
LYS
CE
38.849
1
5324
114
LYS
CE
38.849
1
17126
233
LYS
CE
38.855
1
18471
81
LYS
CE
38.861
1
18315
48
LYS
CE
38.862
1
18314
48
LYS
CE
38.862
1
17974
128
LYS
CE
38.865
1
17705
51
LYS
CE
38.868
1
5347
32
LYS
CE
38.875
1
16712
28
LYS
CE
38.877
1
5813
129
LYS
CE
38.888
1
11011
142
LYS
CE
38.888
1
11011
129
LYS
CE
38.888
1
5813
142
LYS
CE
38.888
1
18471
102
LYS
CE
38.889
1
6532
61
LYS
CE
38.889
.
17974
103
LYS
CE
38.89
1
16571
90
LYS
CE
38.89
1
4869
73
LYS
CE
38.9
1
19154
5
LYS
CE
38.9
1
4858
35
LYS
CE
38.9
1
11242
13
LYS
CE
38.902
1
5931
32
LYS
CE
38.91
1
4445
69
LYS
CE
38.91
1
17479
228
LYS
CE
38.916
1
7019
20
LYS
CE
38.927
1
6725
22
LYS
CE
38.93
1
17974
49
LYS
CE
38.931
1
6531
51
LYS
CE
38.931
.
6531
30
LYS
CE
38.931
.
7068
59
LYS
CE
38.939
.
6812
103
LYS
CE
38.94
1
11078
111
LYS
CE
38.945
1
15722
63
LYS
CE
38.949
1
7287
23
LYS
CE
38.951
1
17599
5
LYS
CE
38.954
1
17126
149
LYS
CE
38.956
1
17126
24
LYS
CE
38.956
1
4281
46
LYS
CE
38.959
1
16114
15
LYS
CE
38.959
1
17126
203
LYS
CE
38.972
1
18113
84
LYS
CE
38.975
1
11222
51
LYS
CE
38.976
1
17799
139
LYS
CE
38.976
1
17974
41
LYS
CE
38.977
1
17839
4
LYS
CE
38.978
1
15722
97
LYS
CE
38.979
1
16712
43
LYS
CE
38.98
1
7068
15
LYS
CE
38.98
.
6812
16
LYS
CE
38.98
1
17479
250
LYS
CE
38.981
1
17126
116
LYS
CE
38.983
1
17832
19
LYS
CE
38.986
1
18314
21
LYS
CE
38.988
1
18315
21
LYS
CE
38.988
1
6913
97
LYS
CE
38.992
1
17126
139
LYS
CE
38.992
1
17126
277
LYS
CE
38.994
1
17974
78
LYS
CE
38.996
1
17799
85
LYS
CE
38.998
1
4858
91
LYS
CE
39
1
6913
83
LYS
CE
39
1
4858
44
LYS
CE
39
1
4858
88
LYS
CE
39
1
7082
19
LYS
CE
39
1
4858
81
LYS
CE
39
1
4869
60
LYS
CE
39
1
7082
34
LYS
CE
39
1
4901
106
LYS
CE
39
1
4858
29
LYS
CE
39
1
16708
190
LYS
CE
39
1
16708
118
LYS
CE
39
1
17479
100
LYS
CE
39.005
1
17126
23
LYS
CE
39.006
1
17126
202
LYS
CE
39.01
1
17126
127
LYS
CE
39.019
1
17974
74
LYS
CE
39.02
1
17126
26
LYS
CE
39.024
1
6532
94
LYS
CE
39.025
.
17479
233
LYS
CE
39.026
1
5407
47
LYS
CE
39.029
.
6812
95
LYS
CE
39.03
1
16114
20
LYS
CE
39.035
1
16204
20
LYS
CE
39.035
1
6725
100
LYS
CE
39.04
1
18314
77
LYS
CE
39.042
1
18315
77
LYS
CE
39.042
1
16205
20
LYS
CE
39.043
1
17126
120
LYS
CE
39.044
1
17126
276
LYS
CE
39.048
1
17974
25
LYS
CE
39.051
1
17126
282
LYS
CE
39.053
1
17126
97
LYS
CE
39.056
1
17126
124
LYS
CE
39.056
1
17126
96
LYS
CE
39.056
1
15938
24
LYS
CE
39.062
1
15938
12
LYS
CE
39.062
1
15938
56
LYS
CE
39.062
1
16713
66
LYS
CE
39.063
1
18389
159
LYS
CE
39.064
1
17706
70
LYS
CE
39.065
1
17126
142
LYS
CE
39.067
1
16887
100
LYS
CE
39.072
1
6531
94
LYS
CE
39.075
.
6612
94
LYS
CE
39.08
.
16713
83
LYS
CE
39.082
1
6531
39
LYS
CE
39.082
.
16713
35
LYS
CE
39.084
1
18314
71
LYS
CE
39.085
1
18315
71
LYS
CE
39.085
1
6531
85
LYS
CE
39.088
.
15722
62
LYS
CE
39.09
1
5594
33
LYS
CE
39.09
1
15120
32
LYS
CE
39.09
.
16712
35
LYS
CE
39.094
1
16708
101
LYS
CE
39.1
1
18175
14
LYS
CE
39.1
1
6913
20
LYS
CE
39.1
1
17774
14
LYS
CE
39.1
1
17261
60
LYS
CE
39.1
1
17821
35
LYS
CE
39.1
1
16708
83
LYS
CE
39.1
1
7082
9
LYS
CE
39.1
1
5928
79
LYS
CE
39.1
1
16708
70
LYS
CE
39.1
1
6612
45
LYS
CE
39.1
.
18292
50
LYS
CE
39.101
1
16712
86
LYS
CE
39.102
1
11142
98
LYS
CE
39.109
1
18292
30
LYS
CE
39.113
1
16713
39
LYS
CE
39.114
1
17806
109
LYS
CE
39.12
1
15578
193
LYS
CE
39.121
1
11425
99
LYS
CE
39.125
1
17792
28
LYS
CE
39.125
1
17477
97
LYS
CE
39.127
1
6532
85
LYS
CE
39.127
.
16713
86
LYS
CE
39.131
1
6531
72
LYS
CE
39.133
.
16204
171
LYS
CE
39.133
1
17706
99
LYS
CE
39.139
1
18315
82
LYS
CE
39.14
1
18314
82
LYS
CE
39.14
1
16205
171
LYS
CE
39.141
1
7360
44
LYS
CE
39.141
1
15578
312
LYS
CE
39.15
1
17993
20
LYS
CE
39.15
1
16713
28
LYS
CE
39.151
1
15578
359
LYS
CE
39.151
1
15046
17
LYS
CE
39.16
1
18435
136
LYS
CE
39.16
1
18732
37
LYS
CE
39.16
1
15578
334
LYS
CE
39.16
1
6532
59
LYS
CE
39.164
.
6876
5
LYS
CE
39.167
1
16204
229
LYS
CE
39.168
1
6484
62
LYS
CE
39.17
1
15120
23
LYS
CE
39.17
.
16205
229
LYS
CE
39.176
1
15578
211
LYS
CE
39.184
1
17479
231
LYS
CE
39.185
1
15722
102
LYS
CE
39.188
1
16713
43
LYS
CE
39.189
1
18027
21
LYS
CE
39.19
1
6073
115
LYS
CE
39.19
.
18027
94
LYS
CE
39.19
1
15796
35
LYS
CE
39.194
1
15010
116
LYS
CE
39.196
1
4969
98
LYS
CE
39.196
1
7034
86
LYS
CE
39.199
.
17261
24
LYS
CE
39.2
1
17821
22
LYS
CE
39.2
1
17261
56
LYS
CE
39.2
1
4870
90
LYS
CE
39.2
1
18048
15
LYS
CE
39.2
1
15200
120
LYS
CE
39.2
1
7082
43
LYS
CE
39.2
1
16964
156
LYS
CE
39.2
1
17261
9
LYS
CE
39.2
1
15200
65
LYS
CE
39.2
1
4858
93
LYS
CE
39.2
1
5992
10
LYS
CE
39.2
1
6812
106
LYS
CE
39.2
1
6812
84
LYS
CE
39.2
1
18048
9
LYS
CE
39.2
1
15200
79
LYS
CE
39.2
1
4317
67
LYS
CE
39.2
1
18048
49
LYS
CE
39.2
1
15317
6
LYS
CE
39.2
1
6531
59
LYS
CE
39.202
.
5813
29
LYS
CE
39.202
1
11011
29
LYS
CE
39.202
1
16887
10
LYS
CE
39.204
1
11222
17
LYS
CE
39.205
1
18315
36
LYS
CE
39.208
1
18314
36
LYS
CE
39.208
1
16712
83
LYS
CE
39.208
1
16712
39
LYS
CE
39.208
1
6745
14
LYS
CE
39.209
1
7241
39
LYS
CE
39.21
1
18314
49
LYS
CE
39.21
1
18315
49
LYS
CE
39.21
1
4998
26
LYS
CE
39.22
1
6532
30
LYS
CE
39.223
.
6532
72
LYS
CE
39.225
.
15021
10
LYS
CE
39.226
1
16549
51
LYS
CE
39.229
1
19203
74
LYS
CE
39.23
1
18440
25
LYS
CE
39.23
1
7241
21
LYS
CE
39.23
1
16887
26
LYS
CE
39.237
1
6787
122
LYS
CE
39.24
1
19433
25
LYS
CE
39.244
1
16887
58
LYS
CE
39.247
1
11018
46
LYS
CE
39.25
1
18110
13
LYS
CE
39.251
1
11142
114
LYS
CE
39.252
1
6532
89
LYS
CE
39.254
.
6073
76
LYS
CE
39.26
.
7241
30
LYS
CE
39.26
1
16204
189
LYS
CE
39.262
1
15796
38
LYS
CE
39.27
1
16205
189
LYS
CE
39.27
1
15722
95
LYS
CE
39.275
1
18389
76
LYS
CE
39.275
1
17477
14
LYS
CE
39.277
1
7019
4
LYS
CE
39.277
1
17806
40
LYS
CE
39.279
1
6484
88
LYS
CE
39.28
1
6080
136
LYS
CE
39.281
1
6745
171
LYS
CE
39.282
1
11222
65
LYS
CE
39.283
1
11145
19
LYS
CE
39.285
1
16872
19
LYS
CE
39.286
1
16058
66
LYS
CE
39.287
1
15578
244
LYS
CE
39.287
1
4248
15
LYS
CE
39.29
1
15578
275
LYS
CE
39.291
1
11242
22
LYS
CE
39.291
1
17477
129
LYS
CE
39.298
1
4281
9
LYS
CE
39.299
1
5711
74
LYS
CE
39.3
1
18048
43
LYS
CE
39.3
1
18048
39
LYS
CE
39.3
1
17821
57
LYS
CE
39.3
1
17821
21
LYS
CE
39.3
1
18048
33
LYS
CE
39.3
1
15763
104
LYS
CE
39.3
1
17821
34
LYS
CE
39.3
1
18048
5
LYS
CE
39.3
1
15995
70
LYS
CE
39.3
1
18048
12
LYS
CE
39.3
1
17821
66
LYS
CE
39.3
1
6585
108
LYS
CE
39.3
1
4858
73
LYS
CE
39.3
1
17261
91
LYS
CE
39.3
1
18027
115
LYS
CE
39.304
1
18027
30
LYS
CE
39.304
1
15578
73
LYS
CE
39.307
1
5407
121
LYS
CE
39.307
.
17799
62
LYS
CE
39.307
1
17705
70
LYS
CE
39.31
1
7019
64
LYS
CE
39.313
1
16204
86
LYS
CE
39.313
1
16571
34
LYS
CE
39.32
1
16205
86
LYS
CE
39.321
1
18905
98
LYS
CE
39.321
.
15796
70
LYS
CE
39.321
1
15578
262
LYS
CE
39.321
1
11134
59
LYS
CE
39.321
1
15315
34
LYS
CE
39.322
1
4281
2
LYS
CE
39.322
1
15384
60
LYS
CE
39.324
1
7360
71
LYS
CE
39.327
1
18732
14
LYS
CE
39.329
1
16205
225
LYS
CE
39.329
1
6238
46
LYS
CE
39.331
1
17707
70
LYS
CE
39.337
1
17596
20
LYS
CE
39.337
1
7034
72
LYS
CE
39.337
.
15315
94
LYS
CE
39.338
1
11181
90
LYS
CE
39.339
1
15578
316
LYS
CE
39.339
1
5324
44
LYS
CE
39.339
1
15120
101
LYS
CE
39.34
.
5594
8
LYS
CE
39.34
1
18314
74
LYS
CE
39.341
1
18315
74
LYS
CE
39.341
1
7275
26
LYS
CE
39.344
1
16204
176
LYS
CE
39.348
1
17806
101
LYS
CE
39.348
1
16002
60
LYS
CE
39.35
1
18049
6
LYS
CE
39.35
1
18534
73
LYS
CE
39.35
1
6532
51
LYS
CE
39.35
.
11242
28
LYS
CE
39.352
1
16205
35
LYS
CE
39.353
1
11242
36
LYS
CE
39.353
1
7034
14
LYS
CE
39.355
.
7250
94
LYS
CE
39.355
1
7275
94
LYS
CE
39.355
1
7267
94
LYS
CE
39.355
1
16205
176
LYS
CE
39.356
1
16747
1
LYS
CE
39.36
1
7241
49
LYS
CE
39.36
1
17479
27
LYS
CE
39.361
1
11425
22
LYS
CE
39.362
1
16204
110
LYS
CE
39.362
1
16311
22
LYS
CE
39.364
1
11129
36
LYS
CE
39.366
1
17705
99
LYS
CE
39.366
1
7019
34
LYS
CE
39.369
1
16549
72
LYS
CE
39.369
1
6812
18
LYS
CE
39.37
1
16205
110
LYS
CE
39.37
1
17832
39
LYS
CE
39.373
1
16204
98
LYS
CE
39.373
1
16204
63
LYS
CE
39.376
1
18905
106
LYS
CE
39.378
.
15010
56
LYS
CE
39.378
1
16887
75
LYS
CE
39.378
1
15046
31
LYS
CE
39.38
1
16236
33
LYS
CE
39.38
1
15046
52
LYS
CE
39.38
1
16236
71
LYS
CE
39.38
1
16205
98
LYS
CE
39.381
1
16205
228
LYS
CE
39.383
1
16205
63
LYS
CE
39.384
1
15010
122
LYS
CE
39.384
1
7275
109
LYS
CE
39.385
1
18905
61
LYS
CE
39.385
.
7250
109
LYS
CE
39.385
1
7267
109
LYS
CE
39.385
1
16114
42
LYS
CE
39.387
1
15796
28
LYS
CE
39.387
1
17596
92
LYS
CE
39.39
1
6787
40
LYS
CE
39.39
1
17596
92
LYS
CE
39.39
1
17707
99
LYS
CE
39.391
1
15314
21
LYS
CE
39.393
1
16747
32
LYS
CE
39.397
1
11131
48
LYS
CE
39.399
1
6612
98
LYS
CE
39.4
.
16708
117
LYS
CE
39.4
1
17261
34
LYS
CE
39.4
1
16708
33
LYS
CE
39.4
1
5711
54
LYS
CE
39.4
1
6612
70
LYS
CE
39.4
.
16708
192
LYS
CE
39.4
1
18435
126
LYS
CE
39.4
1
15995
47
LYS
CE
39.4
1
17821
44
LYS
CE
39.4
1
5928
74
LYS
CE
39.4
1
17261
20
LYS
CE
39.4
1
5928
31
LYS
CE
39.4
1
4284
13
LYS
CE
39.402
1
11425
109
LYS
CE
39.403
1
16887
94
LYS
CE
39.403
1
15315
128
LYS
CE
39.406
1
15424
96
LYS
CE
39.408
1
6612
64
LYS
CE
39.41
.
19433
56
LYS
CE
39.411
1