LYS CE Chemical Shift Outliers

___________________________________________________
LYS CE Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
26369
41.886
25.241
56
0.873


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11157
24
LYS
CE
44.523
1
27602
82
LYS
CE
44.529
1
19156
95
LYS
CE
44.529
1
27051
136
LYS
CE
44.547
1
30100
36
LYS
CE
44.555
.
30100
63
LYS
CE
44.563
.
6989
70
LYS
CE
44.597
1
5578
101
LYS
CE
44.6
.
16175
115
LYS
CE
44.617
1
36059
61
LYS
CE
44.662
1
11109
93
LYS
CE
44.671
1
17045
59
LYS
CE
44.673
1
30100
81
LYS
CE
44.68
.
18812
80
LYS
CE
44.7
1
7248
60
LYS
CE
44.708
1
30100
104
LYS
CE
44.709
.
6826
42
LYS
CE
44.728
1
30100
54
LYS
CE
44.737
.
17653
49
LYS
CE
44.74
1
30100
136
LYS
CE
44.749
.
4879
140
LYS
CE
44.76
1
25778
53
LYS
CE
44.767
1
30100
53
LYS
CE
44.767
.
6955
38
LYS
CE
44.845
1
16632
12
LYS
CE
44.85
1
30100
47
LYS
CE
44.861
.
16632
12
LYS
CE
44.865
1
6279
8
LYS
CE
44.886
1
7286
72
LYS
CE
44.897
1
17260
65
LYS
CE
44.897
1
30100
46
LYS
CE
44.898
.
4098
90
LYS
CE
44.9
1
15429
90
LYS
CE
44.9
1
25773
50
LYS
CE
44.907
1
6932
121
LYS
CE
44.91
1
30100
39
LYS
CE
44.915
.
27608
51
LYS
CE
44.93
.
27608
64
LYS
CE
44.936
.
6705
70
LYS
CE
44.937
.
27017
22
LYS
CE
44.939
1
5884
18
LYS
CE
44.94
1
30100
95
LYS
CE
45.067
.
19342
8
LYS
CE
45.07
1
5659
142
LYS
CE
45.1
1
5085
68
LYS
CE
45.1
1
19342
5
LYS
CE
45.126
1
26889
50
LYS
CE
45.13
1
17505
68
LYS
CE
45.135
1
19342
15
LYS
CE
45.181
1
30100
84
LYS
CE
45.21
.
26961
11
LYS
CE
45.21
1
17725
82
LYS
CE
45.251
1
19342
22
LYS
CE
45.274
1
36111
61
LYS
CE
45.279
.
25791
70
LYS
CE
45.309
.
17005
16
LYS
CE
45.328
1
7131
72
LYS
CE
45.33
1
5814
53
LYS
CE
45.36
1
25665
17
LYS
CE
45.396
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
19831
149
LYS
CE
45.5
1
36119
73
LYS
CE
45.54
.
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
27904
25
LYS
CE
46.075
.
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
.
25136
38
LYS
CE
47.244
1
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
4127
125
LYS
CE
56
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4984
127
LYS
CE
25.241
1
25793
20
LYS
CE
25.385
.
6539
16
LYS
CE
25.984
1
25793
70
LYS
CE
26.24
.
25793
41
LYS
CE
26.447
.
25793
62
LYS
CE
26.924
.
15785
61
LYS
CE
29.06
.
15789
56
LYS
CE
29.114
1
6334
3
LYS
CE
29.216
1
4281
31
LYS
CE
30.477
1
6353
1
LYS
CE
30.7
1
6015
53
LYS
CE
31.566
1
18961
78
LYS
CE
33.879
1
25195
121
LYS
CE
33.9
1
6725
73
LYS
CE
34.81
1
16832
44
LYS
CE
35
1
18435
104
LYS
CE
35.07
1
25573
10
LYS
CE
35.4603
1
17300
104
LYS
CE
35.757
1
5873
16
LYS
CE
35.8
1
25069
28
LYS
CE
35.865
.
6893
53
LYS
CE
35.897
1
16884
42
LYS
CE
36.3
1
4394
69
LYS
CE
36.3
1
4001
6
LYS
CE
36.31
1
4001
6
LYS
CE
36.31
1
4001
6
LYS
CE
36.31
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
19365
34
LYS
CE
36.418
1
16884
6
LYS
CE
36.5
1
16884
91
LYS
CE
36.5
1
16884
47
LYS
CE
36.5
1
16884
84
LYS
CE
36.5
1
16236
76
LYS
CE
36.51
1
19365
53
LYS
CE
36.547
1
18621
66
LYS
CE
36.585
1
6255
8
LYS
CE
36.655
1
16652
32
LYS
CE
36.7
1
16884
81
LYS
CE
36.8
1
6903
40
LYS
CE
36.931
1
4082
125
LYS
CE
37
1
27033
109
LYS
CE
37.091
1
5678
67
LYS
CE
37.1
1
19777
82
LYS
CE
37.29
.
25428
69
LYS
CE
37.297
.
25138
133
LYS
CE
37.3
1
6904
40
LYS
CE
37.35
1
15120
35
LYS
CE
37.48
.
19776
121
LYS
CE
37.57
.
6868
46
LYS
CE
37.575
1
19087
57
LYS
CE
37.596
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
27666
12
LYS
CE
37.85
1
34058
11
LYS
CE
37.885
1
34041
11
LYS
CE
37.944
1
19777
121
LYS
CE
37.96
.
4869
85
LYS
CE
38
1
18701
143
LYS
CE
38.002
1
18621
78
LYS
CE
38.031
1
5324
54
LYS
CE
38.031
1
25239
78
LYS
CE
38.031
1
17479
189
LYS
CE
38.068
1
26001
35
LYS
CE
38.089
1
15997
42
LYS
CE
38.099
1
30537
117
LYS
CE
38.1
1
17706
51
LYS
CE
38.175
1
19776
163
LYS
CE
38.188
.
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
11086
129
LYS
CE
38.232
1
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
25226
3
LYS
CE
38.304
1
25225
3
LYS
CE
38.304
1
6484
94
LYS
CE
38.35
1
19726
14
LYS
CE
38.366
1
6904
42
LYS
CE
38.37
1
6604
60
LYS
CE
38.372
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
4127
37
LYS
CE
38.4
1
19777
163
LYS
CE
38.436
.
15938
54
LYS
CE
38.437
1
19726
63
LYS
CE
38.441
1
19365
61
LYS
CE
38.449
1
4265
28
LYS
CE
38.45
1
16002
90
LYS
CE
38.47
1
5992
38
LYS
CE
38.5
1
25924
66
LYS
CE
38.504
.
30375
187
LYS
CE
38.516
.
18801
5
LYS
CE
38.522
.
18801
7
LYS
CE
38.528
.
17170
11
LYS
CE
38.544
1
18801
90
LYS
CE
38.547
.
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
17726
5
LYS
CE
38.6
1
6004
53
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
26765
142
LYS
CE
38.626
1
25225
23
LYS
CE
38.645
1
25226
23
LYS
CE
38.645
1
16544
51
LYS
CE
38.647
1
19869
49
LYS
CE
38.648
1
18113
28
LYS
CE
38.656
1
4281
42
LYS
CE
38.659
1
16236
118
LYS
CE
38.69
1
25026
148
LYS
CE
38.696
1
30330
68
LYS
CE
38.698
1
17479
127
LYS
CE
38.699
1
4248
5
LYS
CE
38.7
1
17512
129
LYS
CE
38.7
.
4127
50
LYS
CE
38.7
1
17479
186
LYS
CE
38.706
1
25240
103
LYS
CE
38.707
1
34194
24
LYS
CE
38.715
1
19776
46
LYS
CE
38.716
.
6903
17
LYS
CE
38.7205
1
19807
26
LYS
CE
38.723
1
17479
120
LYS
CE
38.724
1
17479
191
LYS
CE
38.732
1
17574
28
LYS
CE
38.735
1
19910
115
LYS
CE
38.741
1
18801
57
LYS
CE
38.748
.
6911
23
LYS
CE
38.75
1
16712
66
LYS
CE
38.752
1
25226
8
LYS
CE
38.76
1
25225
8
LYS
CE
38.76
1
17479
227
LYS
CE
38.762
1
17479
47
LYS
CE
38.762
1
6531
61
LYS
CE
38.779
.
4081
83
LYS
CE
38.78
1
16236
100
LYS
CE
38.8
1
5578
92
LYS
CE
38.8
.
6904
17
LYS
CE
38.8
1
17774
2
LYS
CE
38.8
1
18175
2
LYS
CE
38.8
1
16549
35
LYS
CE
38.807
1
34039
13
LYS
CE
38.815
1
11425
106
LYS
CE
38.816
1
11226
55
LYS
CE
38.831
1
34182
179
LYS
CE
38.833
1
19776
199
LYS
CE
38.844
.
16887
53
LYS
CE
38.849
1
5324
114
LYS
CE
38.849
1
25069
57
LYS
CE
38.852
.
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
142
LYS
CE
38.888
1
5813
129
LYS
CE
38.888
1
11011
129
LYS
CE
38.888
1
11011
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
34041
114
LYS
CE
38.901
1
11242
13
LYS
CE
38.902
1
4445
69
LYS
CE
38.91
1
25761
40
LYS
CE
38.91
.
25428
20
LYS
CE
38.91
.
25582
18
LYS
CE
38.913
1
17479
228
LYS
CE
38.916
1
19782
90
LYS
CE
38.923
1
25142
65
LYS
CE
38.925
.
7019
20
LYS
CE
38.927
1
6725
22
LYS
CE
38.93
1
6531
30
LYS
CE
38.931
.
6531
51
LYS
CE
38.931
.
17974
49
LYS
CE
38.931
1
7068
59
LYS
CE
38.939
.
27048
126
LYS
CE
38.939
1
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
16114
15
LYS
CE
38.959
1
27879
209
LYS
CE
38.959
1
4281
46
LYS
CE
38.959
1
26818
129
LYS
CE
38.961
1
30172
3
LYS
CE
38.963
1
25294
53
LYS
CE
38.964
.
34058
114
LYS
CE
38.967
1
17126
203
LYS
CE
38.972
1
18113
84
LYS
CE
38.975
1
17799
139
LYS
CE
38.976
1
11222
51
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
25582
8
LYS
CE
38.986
1
17832
19
LYS
CE
38.986
1
18314
21
LYS
CE
38.988
1
18315
21
LYS
CE
38.988
1
34039
3
LYS
CE
38.991
1
17126
139
LYS
CE
38.992
1
6913
97
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
4901
106
LYS
CE
39
1
4869
60
LYS
CE
39
1
4858
91
LYS
CE
39
1
4858
88
LYS
CE
39
1
6913
83
LYS
CE
39
1
16708
118
LYS
CE
39
1
7082
34
LYS
CE
39
1
7082
19
LYS
CE
39
1
16708
190
LYS
CE
39
1
4858
81
LYS
CE
39
1
4858
44
LYS
CE
39
1
4858
29
LYS
CE
39
1
27271
54
LYS
CE
39.001
1
17479
100
LYS
CE
39.005
1
17126
23
LYS
CE
39.006
1
25157
18
LYS
CE
39.01
1
17126
202
LYS
CE
39.01
1
17126
127
LYS
CE
39.019
1
17974
74
LYS
CE
39.02
1
30375
26
LYS
CE
39.024
.
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
16204
20
LYS
CE
39.035
1
18801
15
LYS
CE
39.035
.
16114
20
LYS
CE
39.035
1
19792
32
LYS
CE
39.039
.
6725
100
LYS
CE
39.04
1
18315
77
LYS
CE
39.042
1
18314
77
LYS
CE
39.042
1
16205
20
LYS
CE
39.043
1
17126
120
LYS
CE
39.044
1
11490
22
LYS
CE
39.047
1
17126
276
LYS
CE
39.048
1
17974
25
LYS
CE
39.051
1
18801
70
LYS
CE
39.052
.
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
56
LYS
CE
39.062
1
15938
24
LYS
CE
39.062
1
15938
12
LYS
CE
39.062
1
25428
16
LYS
CE
39.062
.
16713
66
LYS
CE
39.063
1
17706
70
LYS
CE
39.065
1
27271
22
LYS
CE
39.066
1
17126
142
LYS
CE
39.067
1
16887
100
LYS
CE
39.072
1
6531
94
LYS
CE
39.075
.
26740
199
LYS
CE
39.075
1
11490
43
LYS
CE
39.078
1
11490
130
LYS
CE
39.078
1
26001
20
LYS
CE
39.079
1
6612
94
LYS
CE
39.08
.
6531
39
LYS
CE
39.082
.
16713
83
LYS
CE
39.082
1
16713
35
LYS
CE
39.084
1
25970
20
LYS
CE
39.084
.
18314
71
LYS
CE
39.085
1
18315
71
LYS
CE
39.085
1
25428
44
LYS
CE
39.086
.
6531
85
LYS
CE
39.088
.
15120
32
LYS
CE
39.09
.
25803
46
LYS
CE
39.09
1
5594
33
LYS
CE
39.09
1
15722
62
LYS
CE
39.09
1
25428
59
LYS
CE
39.092
.
19777
199
LYS
CE
39.092
.
16712
35
LYS
CE
39.094
1
5928
79
LYS
CE
39.1
1
16708
101
LYS
CE
39.1
1
25157
25
LYS
CE
39.1
1
17774
14
LYS
CE
39.1
1
25833
10
LYS
CE
39.1
1
6612
45
LYS
CE
39.1
.
16708
70
LYS
CE
39.1
1
17261
60
LYS
CE
39.1
1
18175
14
LYS
CE
39.1
1
7082
9
LYS
CE
39.1
1
6913
20
LYS
CE
39.1
1
17821
35
LYS
CE
39.1
1
25828
10
LYS
CE
39.1
1
16708
83
LYS
CE
39.1
1
18292
50
LYS
CE
39.101
1
16712
86
LYS
CE
39.102
1
25745
48
LYS
CE
39.103
1
25026
143
LYS
CE
39.107
1
18801
31
LYS
CE
39.108
.
34041
44
LYS
CE
39.109
1
11142
98
LYS
CE
39.109
1
30375
241
LYS
CE
39.112
.
18292
30
LYS
CE
39.113
1
16713
39
LYS
CE
39.114
1
17806
109
LYS
CE
39.12
1
19776
160
LYS
CE
39.12
.
19530
16
LYS
CE
39.12
.
34058
44
LYS
CE
39.123
1
27192
128
LYS
CE
39.124
1
17792
28
LYS
CE
39.125
1
27086
2
LYS
CE
39.125
1
11425
99
LYS
CE
39.125
1
17477
97
LYS
CE
39.127
1
6532
85
LYS
CE
39.127
.
25833
14
LYS
CE
39.13
1
16713
86
LYS
CE
39.131
1
16204
171
LYS
CE
39.133
1
17556
6
LYS
CE
39.133
1
6531
72
LYS
CE
39.133
.
34058
38
LYS
CE
39.133
1
19596
7
LYS
CE
39.136
1
19776
82
LYS
CE
39.138
.
17706
99
LYS
CE
39.139
1
18315
82
LYS
CE
39.14
1
18314
82
LYS
CE
39.14
1
7360
44
LYS
CE
39.141
1
16205
171
LYS
CE
39.141
1
17993
20
LYS
CE
39.15
1
16713
28
LYS
CE
39.151
1
18801
48
LYS
CE
39.156
.
18732
37
LYS
CE
39.16
1
18435
136
LYS
CE
39.16
1
15046
17
LYS
CE
39.16
1
25970
78
LYS
CE
39.16
.
6532
59
LYS
CE
39.164
.
11490
5
LYS
CE
39.166
1
6876
5
LYS
CE
39.167
1
16204
229
LYS
CE
39.168
1
26985
58
LYS
CE
39.17
.
6484
62
LYS
CE
39.17
1
15120
23
LYS
CE
39.17
.
34041
38
LYS
CE
39.171
1
27086
5
LYS
CE
39.174
1
16205
229
LYS
CE
39.176
1
30172
6
LYS
CE
39.18
1
30172
24
LYS
CE
39.181
1
19596
8
LYS
CE
39.185
1
17479
231
LYS
CE
39.185
1
15722
102
LYS
CE
39.188
1
16713
43
LYS
CE
39.189
1
25970
59
LYS
CE
39.19
.
18027
94
LYS
CE
39.19
1
26687
21
LYS
CE
39.19
1
6073
115
LYS
CE
39.19
.
18027
21
LYS
CE
39.19
1
17556
14
LYS
CE
39.192
1
15796
35
LYS
CE
39.194
1
25803
48
LYS
CE
39.195
1
4969
98
LYS
CE
39.196
1
15010
116
LYS
CE
39.196
1
30375
79
LYS
CE
39.199
.
30375
72
LYS
CE
39.199
.
7034
86
LYS
CE
39.199
.
15200
79
LYS
CE
39.2
1
7082
43
LYS
CE
39.2
1
4858
93
LYS
CE
39.2
1
15200
65
LYS
CE
39.2
1
4317
67
LYS
CE
39.2
1
18048
9
LYS
CE
39.2
1
15317
6
LYS
CE
39.2
1
6812
84
LYS
CE
39.2
1
17821
22
LYS
CE
39.2
1
6812
106
LYS
CE
39.2
1
4870
90
LYS
CE
39.2
1
17261
9
LYS
CE
39.2
1
18048
15
LYS
CE
39.2
1
18048
49
LYS
CE
39.2
1
17261
56
LYS
CE
39.2
1
17261
24
LYS
CE
39.2
1
5992
10
LYS
CE
39.2
1
16964
156
LYS
CE
39.2
1
15200
120
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
18801
47
LYS
CE
39.203
.
16887
10
LYS
CE
39.204
1
11222
17
LYS
CE
39.205
1
19431
66
LYS
CE
39.206
1
18314
36
LYS
CE
39.208
1
16712
39
LYS
CE
39.208
1
18315
36
LYS
CE
39.208
1
16712
83
LYS
CE
39.208
1
6745
14
LYS
CE
39.209
1
7241
39
LYS
CE
39.21
1
18315
49
LYS
CE
39.21
1
18314
49
LYS
CE
39.21
1
18789
47
LYS
CE
39.212
1
4998
26
LYS
CE
39.22
1
6532
30
LYS
CE
39.223
.
18789
2
LYS
CE
39.225
1
6532
72
LYS
CE
39.225
.
15021
10
LYS
CE
39.226
1
25852
21
LYS
CE
39.226
1
16549
51
LYS
CE
39.229
1
7241
21
LYS
CE
39.23
1
18440
25
LYS
CE
39.23
1
19203
74
LYS
CE
39.23
1
5558
72
LYS
CE
39.232
1
19830
76
LYS
CE
39.234
1
27086
12
LYS
CE
39.236
1
30172
13
LYS
CE
39.236
1
16887
26
LYS
CE
39.237
1
6787
122
LYS
CE
39.24
1
34212
9
LYS
CE
39.241
.
19433
25
LYS
CE
39.244
1
34039
24
LYS
CE
39.246
1
16887
58
LYS
CE
39.247
1
11147
19
LYS
CE
39.25
1
11147
135
LYS
CE
39.25
1
11018
46
LYS
CE
39.25
1
18110
13
LYS
CE
39.251
1
11147
121
LYS
CE
39.251
1
11142
114
LYS
CE
39.252
1
25970
101
LYS
CE
39.252
.
6532
89
LYS
CE
39.254
.
6073
76
LYS
CE
39.26
.
30518
67
LYS
CE
39.26
1
7241
30
LYS
CE
39.26
1
16204
189
LYS
CE
39.262
1
19830
44
LYS
CE
39.263
1
25745
76
LYS
CE
39.264
1
11086
119
LYS
CE
39.267
1