LYS HB2 Chemical Shift Outliers

___________________________________________________
LYS HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
37553
1.774
-1.416
35.97
0.324


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5466
65
LYS
HB2
10.94
.
5625
26
LYS
HB2
2.75
2
4777
15
LYS
HB2
2.75
1
19152
50
LYS
HB2
2.755
.
17066
29
LYS
HB2
2.761
2
6732
11
LYS
HB2
2.765
.
6634
26
LYS
HB2
2.77
2
1171
72
LYS
HB2
2.77
2
4891
48
LYS
HB2
2.782
1
17741
32
LYS
HB2
2.789
2
5269
71
LYS
HB2
2.79
2
6272
54
LYS
HB2
2.79
1
17742
32
LYS
HB2
2.794
2
11255
115
LYS
HB2
2.795
2
4435
30
LYS
HB2
2.8
1
17279
112
LYS
HB2
2.804
2
11308
59
LYS
HB2
2.825
2
4726
66
LYS
HB2
2.83
.
4727
27
LYS
HB2
2.85
9
4679
12
LYS
HB2
2.89
.
4744
46
LYS
HB2
2.892
.
5662
71
LYS
HB2
2.93
.
5279
46
LYS
HB2
2.949
.
5873
20
LYS
HB2
2.95
2
4948
52
LYS
HB2
2.95
2
9
13
LYS
HB2
2.96
2
17813
32
LYS
HB2
2.968
.
21008
7
LYS
HB2
2.977
2
4498
47
LYS
HB2
2.99
.
4600
47
LYS
HB2
2.99
.
4602
86
LYS
HB2
2.99
2
39
27
LYS
HB2
3.02
2
18663
187
LYS
HB2
3.023
2
17512
22
LYS
HB2
3.06
.
4131
89
LYS
HB2
3.07
.
4130
89
LYS
HB2
3.07
.
4078
82
LYS
HB2
3.08
1
16679
172
LYS
HB2
3.118
2
4777
19
LYS
HB2
3.13
1
16694
71
LYS
HB2
3.339
2
5239
58
LYS
HB2
3.39
4
16443
62
LYS
HB2
3.487
1
4435
70
LYS
HB2
3.52
2
4076
23
LYS
HB2
3.57
2
4837
94
LYS
HB2
3.58
1
5239
75
LYS
HB2
3.64
2
5324
98
LYS
HB2
3.708
2
63
47
LYS
HB2
3.77
1
17799
23
LYS
HB2
3.814
2
17806
1
LYS
HB2
3.819
2
287
61
LYS
HB2
3.94
1
4553
129
LYS
HB2
3.95
1
15438
61
LYS
HB2
35.97
1
4462
25
LYS
HB2
4.04
2
4044
10
LYS
HB2
4.05
2
4744
18
LYS
HB2
4.054
.
5279
18
LYS
HB2
4.139
.
5239
77
LYS
HB2
4.16
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7180
123
LYS
HB2
-.01
2
16443
104
LYS
HB2
-.026
1
6869
48
LYS
HB2
-.04
1
15134
59
LYS
HB2
-.06
2
10122
58
LYS
HB2
-.102
1
6793
149
LYS
HB2
-.11
2
15932
259
LYS
HB2
-.117
2
17633
125
LYS
HB2
-.14
2
4562
116
LYS
HB2
-.15
2
4943
116
LYS
HB2
-.17
2
5279
36
LYS
HB2
-.173
.
4943
116
LYS
HB2
-.18
2
18337
53
LYS
HB2
-.192
2
18277
24
LYS
HB2
-.193
2
4743
10
LYS
HB2
-.21
1
15914
60
LYS
HB2
-.212
2
15848
126
LYS
HB2
-.23
2
18095
88
LYS
HB2
-.252
1
6782
55
LYS
HB2
-.29
2
18389
37
LYS
HB2
-.357
2
16366
155
LYS
HB2
-.36
2
15622
35
LYS
HB2
-.379
2
16316
24
LYS
HB2
-.48
2
6188
32
LYS
HB2
-.49
2
11100
69
LYS
HB2
-.494
2
17456
71
LYS
HB2
-.53
1
18388
37
LYS
HB2
-.578
2
6230
66
LYS
HB2
-.68
2
16942
50
LYS
HB2
-.685
2
16315
18
LYS
HB2
-.71
2
4262
138
LYS
HB2
-.74
1
4931
87
LYS
HB2
-.75
1
17310
138
LYS
HB2
-.755
2
5396
138
LYS
HB2
-.766
1
6230
66
LYS
HB2
-.78
2
4911
87
LYS
HB2
-.84
1
17311
138
LYS
HB2
-.88
2
18404
31
LYS
HB2
-.99
1
10032
45
LYS
HB2
-1.416
2
15718
112
LYS
HB2
.005
2
6829
57
LYS
HB2
.011
2
5966
25
LYS
HB2
.03
1
17667
60
LYS
HB2
.03
2
5753
41
LYS
HB2
.047
1
11127
56
LYS
HB2
.06
2
16851
4
LYS
HB2
.06
2
6117
86
LYS
HB2
.07
2
16047
100
LYS
HB2
.071
2
15718
96
LYS
HB2
.075
2
6901
120
LYS
HB2
.076
2
18411
64
LYS
HB2
.076
2
10290
58
LYS
HB2
.078
2
5145
44
LYS
HB2
.08
2
16049
100
LYS
HB2
.085
2
17382
113
LYS
HB2
.085
2
16048
100
LYS
HB2
.085
2
16006
26
LYS
HB2
.095
2
16042
100
LYS
HB2
.1
2
4973
14
LYS
HB2
.1
2
16046
100
LYS
HB2
.1
2
5083
103
LYS
HB2
.11
1
17613
53
LYS
HB2
.111
2
15002
68
LYS
HB2
.125
.
5608
6
LYS
HB2
.128
2
15358
74
LYS
HB2
.134
2
15330
74
LYS
HB2
.134
2
18039
61
LYS
HB2
.14
2
7107
103
LYS
HB2
.143
2
17918
112
LYS
HB2
.143
2
4424
27
LYS
HB2
.15
1
15720
79
LYS
HB2
.152
2
7339
79
LYS
HB2
.152
2
18711
102
LYS
HB2
.159
2
4030
119
LYS
HB2
.16
1
5177
96
LYS
HB2
.16
2
7224
10
LYS
HB2
.17
2
5625
77
LYS
HB2
.17
2
7121
124
LYS
HB2
.17
2
16632
99
LYS
HB2
.178
2
4038
99
LYS
HB2
.18
1
5320
100
LYS
HB2
.18
1
5310
56
LYS
HB2
.18
1
16632
99
LYS
HB2
.197
2
16803
33
LYS
HB2
.219
2
18618
10
LYS
HB2
.219
.
5361
52
LYS
HB2
.22
2
15369
241
LYS
HB2
.221
2
6718
57
LYS
HB2
.225
2
4121
54
LYS
HB2
.23
2
18393
7
LYS
HB2
.235
2
16124
98
LYS
HB2
.237
2
6634
77
LYS
HB2
.24
2
16942
114
LYS
HB2
.248
2
5968
57
LYS
HB2
.25
2
4954
11
LYS
HB2
.25
1
17553
34
LYS
HB2
.251
2
6169
5
LYS
HB2
.256
1
10092
40
LYS
HB2
.259
2
15028
4
LYS
HB2
.268
2
4195
64
LYS
HB2
.27
2
5317
51
LYS
HB2
.27
2
4211
32
LYS
HB2
.28
1
15805
44
LYS
HB2
.29
2
18088
49
LYS
HB2
.29
.
5845
7
LYS
HB2
.3
2
6782
93
LYS
HB2
.3
2
6406
71
LYS
HB2
.307
1
16570
68
LYS
HB2
.31
2
6518
107
LYS
HB2
.31
2
17066
102
LYS
HB2
.319
2
6256
94
LYS
HB2
.32
2
17960
117
LYS
HB2
.32
2
17864
36
LYS
HB2
.325
2
5729
34
LYS
HB2
.33
1
6727
56
LYS
HB2
.33
2
18089
49
LYS
HB2
.33
.
17610
153
LYS
HB2
.332
2
10250
27
LYS
HB2
.333
2
6624
106
LYS
HB2
.336
2
16366
97
LYS
HB2
.34
2
18671
8
LYS
HB2
.341
2
16691
58
LYS
HB2
.35
2
7192
61
LYS
HB2
.35
2
15597
25
LYS
HB2
.358
2
5625
104
LYS
HB2
.36
2
8
64
LYS
HB2
.36
2
17752
88
LYS
HB2
.362
2
15598
25
LYS
HB2
.363
2
10126
52
LYS
HB2
.364
2
15230
161
LYS
HB2
.365
2
16267
88
LYS
HB2
.37
2
300
46
LYS
HB2
.37
2
17005
122
LYS
HB2
.391
2
18388
76
LYS
HB2
.393
2
18445
49
LYS
HB2
.397
2
247
26
LYS
HB2
.4
2
4988
36
LYS
HB2
.4
2
17022
47
LYS
HB2
.404
2
16360
50
LYS
HB2
.407
2
275
46
LYS
HB2
.41
2
6634
104
LYS
HB2
.41
2
4779
89
LYS
HB2
.41
2
15172
29
LYS
HB2
.41
2
15172
29
LYS
HB2
.41
2
17421
50
LYS
HB2
.411
2
17904
27
LYS
HB2
.422
.
6854
10
LYS
HB2
.424
1
16186
13
LYS
HB2
.43
2
63
46
LYS
HB2
.43
2
18210
115
LYS
HB2
.439
1
326
26
LYS
HB2
.44
2
17857
49
LYS
HB2
.449
2
15265
108
LYS
HB2
.45
2
390
28
LYS
HB2
.45
2
6625
21
LYS
HB2
.457
2
15593
59
LYS
HB2
.459
2
4143
86
LYS
HB2
.461
2
16340
26
LYS
HB2
.468
2
16691
52
LYS
HB2
.47
2
4675
105
LYS
HB2
.471
1
18682
148
LYS
HB2
.473
.
15835
43
LYS
HB2
.476
2
15074
45
LYS
HB2
.477
2
1745
25
LYS
HB2
.48
1
1500
25
LYS
HB2
.48
2
17970
29
LYS
HB2
.481
1
17969
29
LYS
HB2
.482
1
5810
107
LYS
HB2
.488
2
6649
20
LYS
HB2
.488
.
15805
75
LYS
HB2
.49
2
4782
102
LYS
HB2
.49
1
17022
41
LYS
HB2
.495
2
19056
109
LYS
HB2
.498
2
6000
95
LYS
HB2
.5
1
17282
46
LYS
HB2
.5
2
10027
53
LYS
HB2
.511
1
6533
17
LYS
HB2
.511
2
18400
18
LYS
HB2
.512
2
16603
46
LYS
HB2
.513
2
11089
85
LYS
HB2
.515
2
5126
87
LYS
HB2
.52
.
5964
24
LYS
HB2
.52
1
16629
140
LYS
HB2
.521
2
15734
36
LYS
HB2
.522
2
5406
22
LYS
HB2
.533
2
7097
11
LYS
HB2
.54
.
11242
13
LYS
HB2
.545
2
15129
7
LYS
HB2
.55
1
15943
23
LYS
HB2
.55
2
15536
54
LYS
HB2
.552
2
5393
36
LYS
HB2
.554
2
18389
76
LYS
HB2
.558
2
17325
109
LYS
HB2
.559
2
5970
107
LYS
HB2
.559
2
18188
51
LYS
HB2
.559
2
15628
108
LYS
HB2
.561
2
10035
129
LYS
HB2
.565
2
18579
14
LYS
HB2
.566
2
17393
65
LYS
HB2
.5688
2
11316
38
LYS
HB2
.569
2
15960
98
LYS
HB2
.57
.
16051
7
LYS
HB2
.57
2
16154
7
LYS
HB2
.57
2
17207
67
LYS
HB2
.573
2
15791
20
LYS
HB2
.576
2
4189
22
LYS
HB2
.58
2
11252
79
LYS
HB2
.581
2
16058
197
LYS
HB2
.585
2
1170
22
LYS
HB2
.59
2
11116
63
LYS
HB2
.591
2
15823
11
LYS
HB2
.593
2
7024
19
LYS
HB2
.594
.
10033
16
LYS
HB2
.599
2
11122
83
LYS
HB2
.6
2
6902
16
LYS
HB2
.6
1
6454
74
LYS
HB2
.6
2
11080
94
LYS
HB2
.604
2
6649
56
LYS
HB2
.609
.
19049
57
LYS
HB2
.61
2
6011
7
LYS
HB2
.61
2
17685
83
LYS
HB2
.612
2
10101
72
LYS
HB2
.617
2
15776
65
LYS
HB2
.62
2
18235
59
LYS
HB2
.63
1
5524
27
LYS
HB2
.63
2
18337
2
LYS
HB2
.631
2
6159
37
LYS
HB2
.632
2
15401
50
LYS
HB2
.633
2
5799
129
LYS
HB2
.64
2
15163
15
LYS
HB2
.64
1
17025
40
LYS
HB2
.641
2
18530
83
LYS
HB2
.644
2
17553
45
LYS
HB2
.647
2
7125
59
LYS
HB2
.648
2
10037
45
LYS
HB2
.649
2
4345
82
LYS
HB2
.65
2
131
16
LYS
HB2
.65
2
4022
127
LYS
HB2
.65
1
16063
131
LYS
HB2
.65
.
17076
123
LYS
HB2
.656
2
2049
32
LYS
HB2
.661
2
17293
10
LYS
HB2
.666
2
11089
24
LYS
HB2
.674
2
19317
16
LYS
HB2
.676
.
15881
87
LYS
HB2
.679
2
16030
27
LYS
HB2
.68
2
18342
25
LYS
HB2
.681
2
16549
70
LYS
HB2
.682
2
16064
53
LYS
HB2
.682
2
15402
50
LYS
HB2
.683
2
18372
53
LYS
HB2
.684
2
11094
20
LYS
HB2
.684
2
6196
131
LYS
HB2
.69
.
4911
49
LYS
HB2
.69
1
6195
117
LYS
HB2
.69
.
4931
49
LYS
HB2
.69
1
11080
11
LYS
HB2
.69
2
17512
115
LYS
HB2
.69
.
6769
80
LYS
HB2
.692
1
16082
82
LYS
HB2
.696
2
18669
8
LYS
HB2
.699
2
4837
109
LYS
HB2
.7
2
17686
141
LYS
HB2
.7
1
4022
213
LYS
HB2
.7
2
18604
23
LYS
HB2
.7
2
5388
9
LYS
HB2
.7
2
18681
148
LYS
HB2
.704
.
6400
87
LYS
HB2
.705
2
6298
3
LYS
HB2
.705
.
15598
127
LYS
HB2
.708
2
15597
127
LYS
HB2
.708
2
4637
56
LYS
HB2
.71
4
15168
15
LYS
HB2
.711
1
5625
3
LYS
HB2
.72
2
1171
22
LYS
HB2
.72
2
10193
38
LYS
HB2
.721
2
7075
40
LYS
HB2
.722
1
5365
76
LYS
HB2
.722
2
7219
141
LYS
HB2
.724
2
6601
89
LYS
HB2
.725
2
15061
41
LYS
HB2
.726
2
7349
23
LYS
HB2
.729
.
6369
40
LYS
HB2
.73
2
16317
98
LYS
HB2
.733
2
15280
30
LYS
HB2
.735
1
11095
20
LYS
HB2
.736
2
10164
48
LYS
HB2
.74
2
4638
44
LYS
HB2
.744
.
15851
74
LYS
HB2
.745
2
18866
107
LYS
HB2
.745
2
10315
11
LYS
HB2
.749
2
11107
29
LYS
HB2
.749
2
4768
39
LYS
HB2
.75
.
18517
178
LYS
HB2
.75
2
5349
56
LYS
HB2
.75
2
17074
123
LYS
HB2
.754
2
16686
36
LYS
HB2
.755
1
11053
198
LYS
HB2
.756
2
15783
98
LYS
HB2
.756
.
11088
59
LYS
HB2
.758
2
6634
3
LYS
HB2
.76
2
6138
100
LYS
HB2
.761
2
19001
47
LYS
HB2
.763
9
7414
162
LYS
HB2
.767
2
19001
31
LYS
HB2
.768
9
10316
85
LYS
HB2
.769
2
16018
74
LYS
HB2
.769
1
4153
16
LYS
HB2
.77
2
4397
19
LYS
HB2
.77
1
5211
104
LYS
HB2
.77
.
5538
41
LYS
HB2
.77
1
15089
73
LYS
HB2
.77
2
16443
75
LYS
HB2
.774
2
10055
143
LYS
HB2
.779
2
6075
4
LYS
HB2
.78
1
18788
133
LYS
HB2
.78
2
15270
114
LYS
HB2
.78
2
4911
31
LYS
HB2
.78
1
4931
31
LYS
HB2
.78
1
4052
133
LYS
HB2
.78
.
10040
91
LYS
HB2
.785
2
16840
69
LYS
HB2
.785
2
5529
45
LYS
HB2
.787
.
17467
61
LYS
HB2
.7893
2
55
32
LYS
HB2
.79
2
15750
9
LYS
HB2
.79
2
274
22
LYS
HB2
.79
2
5005
67
LYS
HB2
.79
2
4619
14
LYS
HB2
.792
.
17467
91
LYS
HB2
.7979
2
4444
26
LYS
HB2
.8
.
7175
8
LYS
HB2
.8
2
16072
8
LYS
HB2
.8
2