LYS HB3 Chemical Shift Outliers

___________________________________________________
LYS HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
35060
1.744
-1.404
35.97
0.339


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5279
46
LYS
HB3
2.764
.
5233
69
LYS
HB3
2.78
1
4891
48
LYS
HB3
2.782
1
21008
7
LYS
HB3
2.782
2
4797
125
LYS
HB3
2.79
2
4435
30
LYS
HB3
2.8
1
6686
31
LYS
HB3
2.81
.
16306
47
LYS
HB3
2.82
1
274
72
LYS
HB3
2.83
2
4727
27
LYS
HB3
2.85
9
5970
88
LYS
HB3
2.851
2
16679
172
LYS
HB3
2.855
2
5003
82
LYS
HB3
2.87
2
11164
20
LYS
HB3
2.893
2
4062
43
LYS
HB3
2.9
2
15602
25
LYS
HB3
2.91
2
18663
187
LYS
HB3
2.927
2
16443
62
LYS
HB3
2.935
1
4777
19
LYS
HB3
3.01
1
17512
22
LYS
HB3
3.06
.
5625
63
LYS
HB3
3.07
2
4078
82
LYS
HB3
3.08
1
16443
16
LYS
HB3
3.084
1
6634
63
LYS
HB3
3.09
2
16694
71
LYS
HB3
3.113
2
39
27
LYS
HB3
3.17
2
9
13
LYS
HB3
3.19
2
5239
58
LYS
HB3
3.22
4
5239
75
LYS
HB3
3.25
2
4435
70
LYS
HB3
3.25
2
4837
94
LYS
HB3
3.27
1
5324
98
LYS
HB3
3.548
2
63
47
LYS
HB3
3.77
1
17799
23
LYS
HB3
3.814
2
17806
1
LYS
HB3
3.819
2
4462
25
LYS
HB3
3.9
2
4744
18
LYS
HB3
3.934
.
287
61
LYS
HB3
3.94
1
4553
129
LYS
HB3
3.95
1
4044
10
LYS
HB3
3.95
2
15438
61
LYS
HB3
35.97
1
5279
18
LYS
HB3
4.024
.
5466
65
LYS
HB3
9.43
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10004
163
LYS
HB3
-.004
2
11116
63
LYS
HB3
-.008
2
6634
77
LYS
HB3
-.01
2
15823
11
LYS
HB3
-.039
2
16481
109
LYS
HB3
-.051
2
5349
56
LYS
HB3
-.06
2
5625
77
LYS
HB3
-.06
2
15943
23
LYS
HB3
-.07
2
17022
47
LYS
HB3
-.076
2
15829
68
LYS
HB3
-.079
2
4305
90
LYS
HB3
-.08
2
4345
82
LYS
HB3
-.1
2
10122
58
LYS
HB3
-.102
1
15791
20
LYS
HB3
-.117
2
16840
69
LYS
HB3
-.131
2
4912
87
LYS
HB3
-.15
4
17687
61
LYS
HB3
-.155
2
10114
17
LYS
HB3
-.196
2
4743
10
LYS
HB3
-.21
1
7159
116
LYS
HB3
-.22
.
6443
126
LYS
HB3
-.22
2
5069
117
LYS
HB3
-.22
2
5803
117
LYS
HB3
-.23
2
5804
117
LYS
HB3
-.24
2
7160
116
LYS
HB3
-.24
.
16315
18
LYS
HB3
-.24
2
5807
97
LYS
HB3
-.24
2
5068
117
LYS
HB3
-.24
2
16481
209
LYS
HB3
-.242
2
10319
17
LYS
HB3
-.244
2
11080
11
LYS
HB3
-.245
2
16629
140
LYS
HB3
-.266
2
17260
221
LYS
HB3
-.266
1
6823
174
LYS
HB3
-.28
2
5659
174
LYS
HB3
-.3
2
6454
74
LYS
HB3
-.3
2
15061
41
LYS
HB3
-.322
2
17523
153
LYS
HB3
-.347
2
4101
168
LYS
HB3
-.37
2
16206
49
LYS
HB3
-.37
.
17816
22
LYS
HB3
-.373
1
15881
87
LYS
HB3
-.407
2
15280
30
LYS
HB3
-.409
1
11127
56
LYS
HB3
-.41
2
5947
43
LYS
HB3
-.427
2
4448
106
LYS
HB3
-.43
2
6238
46
LYS
HB3
-.449
1
10031
89
LYS
HB3
-.486
2
17553
34
LYS
HB3
-.535
2
4163
37
LYS
HB3
-.55
1
6742
130
LYS
HB3
-.579
.
6241
125
LYS
HB3
-.584
1
5809
61
LYS
HB3
-.62
4
5809
61
LYS
HB3
-.62
4
11107
29
LYS
HB3
-.661
2
18125
112
LYS
HB3
-.72
2
17125
138
LYS
HB3
-.722
2
5947
86
LYS
HB3
-.741
2
15270
114
LYS
HB3
-.968
2
11100
69
LYS
HB3
-1.013
2
16942
114
LYS
HB3
-1.224
2
10037
45
LYS
HB3
-1.404
2
5601
51
LYS
HB3
.01
2
16283
77
LYS
HB3
.026
2
17633
28
LYS
HB3
.029
2
16272
77
LYS
HB3
.03
2
6159
37
LYS
HB3
.036
2
5077
48
LYS
HB3
.04
2
11213
47
LYS
HB3
.046
2
17825
45
LYS
HB3
.051
2
15002
68
LYS
HB3
.056
.
16992
128
LYS
HB3
.081
1
11118
61
LYS
HB3
.086
2
17233
78
LYS
HB3
.088
2
16443
104
LYS
HB3
.089
1
16832
157
LYS
HB3
.09
.
6004
96
LYS
HB3
.1
2
4920
68
LYS
HB3
.102
1
17277
49
LYS
HB3
.102
2
16163
72
LYS
HB3
.104
1
5054
106
LYS
HB3
.11
2
5083
103
LYS
HB3
.11
1
11507
145
LYS
HB3
.118
1
4878
27
LYS
HB3
.12
2
18909
31
LYS
HB3
.122
2
4779
89
LYS
HB3
.13
2
4428
56
LYS
HB3
.13
.
16030
27
LYS
HB3
.13
2
15377
56
LYS
HB3
.133
.
15694
61
LYS
HB3
.14
2
2049
32
LYS
HB3
.143
2
16977
107
LYS
HB3
.156
2
18315
4
LYS
HB3
.158
2
18314
4
LYS
HB3
.158
2
1093
116
LYS
HB3
.16
2
5013
74
LYS
HB3
.168
2
6035
48
LYS
HB3
.17
2
18393
7
LYS
HB3
.193
2
10055
143
LYS
HB3
.194
2
17523
95
LYS
HB3
.196
2
5628
126
LYS
HB3
.2
2
5357
26
LYS
HB3
.2
2
11351
131
LYS
HB3
.208
2
4869
73
LYS
HB3
.21
2
6597
81
LYS
HB3
.221
2
18089
49
LYS
HB3
.26
.
18404
31
LYS
HB3
.26
1
4697
51
LYS
HB3
.265
.
17448
71
LYS
HB3
.267
2
4948
64
LYS
HB3
.27
2
5126
87
LYS
HB3
.27
.
16163
78
LYS
HB3
.277
1
10069
71
LYS
HB3
.28
2
15536
54
LYS
HB3
.283
2
15846
93
LYS
HB3
.286
2
16946
101
LYS
HB3
.291
2
5461
67
LYS
HB3
.295
2
11098
52
LYS
HB3
.295
2
5461
67
LYS
HB3
.295
2
6188
32
LYS
HB3
.3
2
10313
19
LYS
HB3
.304
2
18130
55
LYS
HB3
.306
2
16175
115
LYS
HB3
.318
2
16186
13
LYS
HB3
.32
2
5006
64
LYS
HB3
.32
2
16063
131
LYS
HB3
.32
2
5988
64
LYS
HB3
.32
2
16360
50
LYS
HB3
.323
2
19433
32
LYS
HB3
.327
1
4210
44
LYS
HB3
.33
2
17501
182
LYS
HB3
.331
2
17293
10
LYS
HB3
.332
2
10080
81
LYS
HB3
.339
2
4878
44
LYS
HB3
.34
2
11122
83
LYS
HB3
.342
2
17456
71
LYS
HB3
.344
1
15846
49
LYS
HB3
.346
2
17418
69
LYS
HB3
.348
.
15928
81
LYS
HB3
.349
2
11038
74
LYS
HB3
.349
2
18990
97
LYS
HB3
.349
2
6075
4
LYS
HB3
.35
1
4973
14
LYS
HB3
.35
2
5222
55
LYS
HB3
.36
2
15628
108
LYS
HB3
.362
2
11300
48
LYS
HB3
.362
2
16064
53
LYS
HB3
.363
2
17857
49
LYS
HB3
.366
2
6782
55
LYS
HB3
.37
2
18342
25
LYS
HB3
.37
2
19049
57
LYS
HB3
.37
2
4938
41
LYS
HB3
.37
2
17325
109
LYS
HB3
.373
2
17752
88
LYS
HB3
.377
2
15097
197
LYS
HB3
.38
2
16385
51
LYS
HB3
.387
2
16942
50
LYS
HB3
.391
2
17206
56
LYS
HB3
.397
2
11376
67
LYS
HB3
.398
2
6563
4
LYS
HB3
.399
2
7022
104
LYS
HB3
.4
2
5025
64
LYS
HB3
.4
2
4572
68
LYS
HB3
.4
2
6565
173
LYS
HB3
.4
2
18642
24
LYS
HB3
.404
2
11322
33
LYS
HB3
.404
2
18916
68
LYS
HB3
.412
1
17752
17
LYS
HB3
.415
2
15086
11
LYS
HB3
.421
2
18447
49
LYS
HB3
.421
2
18669
8
LYS
HB3
.423
2
6854
10
LYS
HB3
.424
1
15525
163
LYS
HB3
.429
2
15803
163
LYS
HB3
.429
2
10027
53
LYS
HB3
.43
1
11055
50
LYS
HB3
.43
2
18518
51
LYS
HB3
.431
1
11123
42
LYS
HB3
.435
2
10164
48
LYS
HB3
.436
2
4397
19
LYS
HB3
.44
1
4022
213
LYS
HB3
.44
2
18473
16
LYS
HB3
.445
2
18682
148
LYS
HB3
.446
.
5844
65
LYS
HB3
.449
2
18088
49
LYS
HB3
.45
.
5991
79
LYS
HB3
.451
2
5529
45
LYS
HB3
.457
.
4638
44
LYS
HB3
.457
.
16384
76
LYS
HB3
.46
2
7286
107
LYS
HB3
.46
2
5878
17
LYS
HB3
.46
2
11097
71
LYS
HB3
.461
2
17595
137
LYS
HB3
.465
2
18334
18
LYS
HB3
.467
2
4424
39
LYS
HB3
.47
1
18411
64
LYS
HB3
.478
2
17970
29
LYS
HB3
.481
1
17969
29
LYS
HB3
.482
1
18681
148
LYS
HB3
.482
.
5667
40
LYS
HB3
.485
.
4335
31
LYS
HB3
.49
2
4782
102
LYS
HB3
.49
1
15736
93
LYS
HB3
.492
2
10032
83
LYS
HB3
.495
2
4878
67
LYS
HB3
.5
2
4114
97
LYS
HB3
.5
1
18210
115
LYS
HB3
.502
1
10040
91
LYS
HB3
.503
2
10311
74
LYS
HB3
.507
2
6432
71
LYS
HB3
.507
2
4070
112
LYS
HB3
.51
2
922
27
LYS
HB3
.52
2
345
27
LYS
HB3
.52
1
16803
33
LYS
HB3
.521
2
15938
56
LYS
HB3
.5225
2
17246
47
LYS
HB3
.524
2
11283
52
LYS
HB3
.526
2
10274
52
LYS
HB3
.527
2
7158
31
LYS
HB3
.528
2
4342
28
LYS
HB3
.53
2
10165
64
LYS
HB3
.53
2
6171
62
LYS
HB3
.5308
.
5753
41
LYS
HB3
.531
1
6166
62
LYS
HB3
.532
.
17312
50
LYS
HB3
.532
2
10126
52
LYS
HB3
.532
2
15055
24
LYS
HB3
.54
2
16316
24
LYS
HB3
.54
2
16443
75
LYS
HB3
.545
2
6960
65
LYS
HB3
.555
.
18349
58
LYS
HB3
.557
2
18188
51
LYS
HB3
.559
2
5729
34
LYS
HB3
.56
1
1720
27
LYS
HB3
.56
2
15964
48
LYS
HB3
.566
2
11417
52
LYS
HB3
.568
2
17392
65
LYS
HB3
.568
1
5204
45
LYS
HB3
.57
2
6902
16
LYS
HB3
.57
1
7281
13
LYS
HB3
.58
2
6601
89
LYS
HB3
.585
2
7242
89
LYS
HB3
.588
2
5605
64
LYS
HB3
.59
2
18375
23
LYS
HB3
.59
2
5538
16
LYS
HB3
.59
2
4688
98
LYS
HB3
.59
2
6096
49
LYS
HB3
.6
2
10250
60
LYS
HB3
.601
2
6015
55
LYS
HB3
.603
2
16103
41
LYS
HB3
.604
2
17374
48
LYS
HB3
.605
.
11320
93
LYS
HB3
.606
2
17905
74
LYS
HB3
.607
2
5141
72
LYS
HB3
.61
2
10290
58
LYS
HB3
.617
2
18671
8
LYS
HB3
.62
2
5239
29
LYS
HB3
.62
2
7180
123
LYS
HB3
.62
2
7121
124
LYS
HB3
.62
2
10005
30
LYS
HB3
.63
2
4453
23
LYS
HB3
.63
2
4744
36
LYS
HB3
.63
.
11122
111
LYS
HB3
.636
2
6095
4
LYS
HB3
.637
2
6011
7
LYS
HB3
.64
2
4553
109
LYS
HB3
.64
2
18048
68
LYS
HB3
.64
2
5768
6
LYS
HB3
.64
.
11303
32
LYS
HB3
.642
2
18388
76
LYS
HB3
.642
2
19012
78
LYS
HB3
.643
2
15622
35
LYS
HB3
.643
2
5769
6
LYS
HB3
.645
.
17022
41
LYS
HB3
.646
2
17620
50
LYS
HB3
.647
2
5947
64
LYS
HB3
.647
2
19042
99
LYS
HB3
.649
2
6631
40
LYS
HB3
.649
2
4022
127
LYS
HB3
.65
1
4030
161
LYS
HB3
.65
2
16766
64
LYS
HB3
.65
2
11122
90
LYS
HB3
.652
2
5073
19
LYS
HB3
.654
.
10336
38
LYS
HB3
.654
2
17701
120
LYS
HB3
.656
2
18346
46
LYS
HB3
.656
2
15232
133
LYS
HB3
.658
1
15193
73
LYS
HB3
.66
2
15530
113
LYS
HB3
.66
2
16822
160
LYS
HB3
.66
2
4342
76
LYS
HB3
.66
2
11296
32
LYS
HB3
.662
2
18167
157
LYS
HB3
.666
2
11146
102
LYS
HB3
.666
2
10319
10
LYS
HB3
.667
2
5279
36
LYS
HB3
.668
.
17077
123
LYS
HB3
.669
2
1745
25
LYS
HB3
.67
1
1500
25
LYS
HB3
.67
2
4424
27
LYS
HB3
.67
1
7414
90
LYS
HB3
.671
2
5203
10
LYS
HB3
.671
2
17918
112
LYS
HB3
.674
2
16329
36
LYS
HB3
.676
2
16161
83
LYS
HB3
.677
2
16102
19
LYS
HB3
.679
2
10250
52
LYS
HB3
.68
2
15701
57
LYS
HB3
.68
2
5239
3
LYS
HB3
.68
4
17314
76
LYS
HB3
.681
.
7371
39
LYS
HB3
.682
2
5813
6
LYS
HB3
.683
1
10316
85
LYS
HB3
.687
2
17421
50
LYS
HB3
.689
2
6875
104
LYS
HB3
.69
2
4743
50
LYS
HB3
.69
2
15028
4
LYS
HB3
.695
2
15723
24
LYS
HB3
.697
2
17995
102
LYS
HB3
.698
2
11128
60
LYS
HB3
.699
2
4305
52
LYS
HB3
.7
2
17938
47
LYS
HB3
.7
.
16493
97
LYS
HB3
.7
2
4963
34
LYS
HB3
.7
1
4912
49
LYS
HB3
.7
1
17232
135
LYS
HB3
.704
2
16446
45
LYS
HB3
.704
2
10311
13
LYS
HB3
.707
2
10237
50
LYS
HB3
.71
2
6230
66
LYS
HB3
.71
2
16737
75
LYS
HB3
.71
2
16372
119
LYS
HB3
.71
2
16141
36
LYS
HB3
.71
.
17747
95
LYS
HB3
.712
2
6850
49
LYS
HB3
.7125
2
16083
31
LYS
HB3
.713
2
10239
105
LYS
HB3
.713
2
18682
116
LYS
HB3
.714
.
10238
96
LYS
HB3
.714
2
11242
13
LYS
HB3
.715
2
10236
50
LYS
HB3
.717
2
11080
94
LYS
HB3
.719
2
5578
40
LYS
HB3
.72
.
10313
12
LYS
HB3
.72
2
4078
37
LYS
HB3
.72
2
4712
97
LYS
HB3
.72
2
6793
149
LYS
HB3
.72
2
17732
52
LYS
HB3
.72
2
6401
87
LYS
HB3
.721
2
7075
40
LYS
HB3
.722
1
10336
78
LYS
HB3
.723
2
16929
168
LYS
HB3
.724
2
19034
61
LYS
HB3
.726
.