LYS HD3 Chemical Shift Outliers

___________________________________________________
LYS HD3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
26692
1.595
-2.02
41.68
0.380


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4651
6
LYS
HD3
2.76
.
4744
61
LYS
HD3
2.791
.
4559
49
LYS
HD3
2.81
.
5235
56
LYS
HD3
2.83
1
5866
3
LYS
HD3
2.83
1
6131
3
LYS
HD3
2.834
1
48
46
LYS
HD3
2.85
1
5328
84
LYS
HD3
2.858
1
4334
75
LYS
HD3
2.86
1
17067
140
LYS
HD3
2.87
2
6920
46
LYS
HD3
2.88
1
7286
72
LYS
HD3
2.895
2
16390
36
LYS
HD3
2.9
2
16608
64
LYS
HD3
2.91
.
4270
148
LYS
HD3
2.91
1
16608
28
LYS
HD3
2.91
.
18732
35
LYS
HD3
2.913
1
4214
58
LYS
HD3
2.915
.
4179
5
LYS
HD3
2.93
1
15981
149
LYS
HD3
2.935
2
17882
63
LYS
HD3
2.945
2
15487
46
LYS
HD3
2.948
.
4678
7
LYS
HD3
2.95
.
5094
57
LYS
HD3
2.96
.
4231
70
LYS
HD3
2.96
.
1495
6
LYS
HD3
2.96
1
5094
35
LYS
HD3
2.97
.
4179
10
LYS
HD3
2.97
1
19191
21
LYS
HD3
2.97
2
15602
102
LYS
HD3
2.98
2
16181
12
LYS
HD3
2.98
2
1495
63
LYS
HD3
2.98
1
19191
57
LYS
HD3
2.98
2
11431
55
LYS
HD3
2.99
2
6928
4
LYS
HD3
29.047
1
7153
1
LYS
HD3
3
.
4181
64
LYS
HD3
3.008
.
4231
12
LYS
HD3
3.01
.
5804
14
LYS
HD3
3.02
2
7153
13
LYS
HD3
3.02
.
5952
70
LYS
HD3
3.02
1
1495
16
LYS
HD3
3.02
1
1495
69
LYS
HD3
3.02
1
6415
14
LYS
HD3
3.03
2
7160
13
LYS
HD3
3.03
.
5068
14
LYS
HD3
3.03
2
5803
14
LYS
HD3
3.03
2
5662
33
LYS
HD3
3.03
.
15364
35
LYS
HD3
3.04
2
4726
18
LYS
HD3
3.04
.
4010
97
LYS
HD3
3.05
1
4726
76
LYS
HD3
3.07
.
1495
37
LYS
HD3
3.07
1
5094
7
LYS
HD3
3.07
.
6883
172
LYS
HD3
3.089
2
6576
38
LYS
HD3
3.1
1
6576
38
LYS
HD3
3.1
1
17693
16
LYS
HD3
3.166
2
2281
63
LYS
HD3
3.18
1
7153
13
LYS
HD3
3.19
.
17505
58
LYS
HD3
3.193
2
5094
56
LYS
HD3
3.23
.
5625
63
LYS
HD3
3.26
2
6634
63
LYS
HD3
3.35
2
16443
62
LYS
HD3
3.457
2
5026
72
LYS
HD3
3.46
.
758
28
LYS
HD3
3.61
1
4781
3
LYS
HD3
4.695
1
15438
61
LYS
HD3
41.68
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5902
29
LYS
HD3
-.007
2
16463
36
LYS
HD3
-.011
2
5009
98
LYS
HD3
-.014
.
5466
78
LYS
HD3
-.03
.
16443
45
LYS
HD3
-.051
2
18388
76
LYS
HD3
-.057
2
18944
30
LYS
HD3
-.065
1
18990
93
LYS
HD3
-.088
2
18642
20
LYS
HD3
-.098
2
5963
18
LYS
HD3
-.102
1
5991
79
LYS
HD3
-.148
2
10295
40
LYS
HD3
-.149
2
17732
52
LYS
HD3
-.18
2
17969
29
LYS
HD3
-.212
2
17970
29
LYS
HD3
-.228
2
17752
88
LYS
HD3
-.249
2
17325
109
LYS
HD3
-.283
2
4837
109
LYS
HD3
-.3
1
4743
41
LYS
HD3
-.37
2
10312
10
LYS
HD3
-.415
2
18916
68
LYS
HD3
-.451
2
10311
13
LYS
HD3
-.482
2
18787
43
LYS
HD3
-.517
1
10267
21
LYS
HD3
-.567
2
16842
43
LYS
HD3
-.599
2
17752
52
LYS
HD3
-.767
2
11304
57
LYS
HD3
-.911
2
17191
61
LYS
HD3
-.955
2
5844
65
LYS
HD3
-1.016
2
17022
47
LYS
HD3
-1.266
2
4436
80
LYS
HD3
-2.02
2
18130
55
LYS
HD3
.011
2
18878
19
LYS
HD3
.025
2
4884
61
LYS
HD3
.03
2
5094
87
LYS
HD3
.04
.
18478
18
LYS
HD3
.0423
2
17310
138
LYS
HD3
.079
2
10296
30
LYS
HD3
.084
1
16686
36
LYS
HD3
.092
2
6731
60
LYS
HD3
.102
2
17250
140
LYS
HD3
.102
2
17827
81
LYS
HD3
.105
1
16063
57
LYS
HD3
.12
2
5349
56
LYS
HD3
.12
2
6603
134
LYS
HD3
.125
2
16164
46
LYS
HD3
.134
2
7203
26
LYS
HD3
.141
.
16372
35
LYS
HD3
.174
2
16569
45
LYS
HD3
.202
2
11127
56
LYS
HD3
.204
2
5126
87
LYS
HD3
.21
.
17750
85
LYS
HD3
.216
2
17806
101
LYS
HD3
.223
2
15344
38
LYS
HD3
.231
2
17534
88
LYS
HD3
.241
2
17534
48
LYS
HD3
.241
2
7371
39
LYS
HD3
.248
2
10098
71
LYS
HD3
.25
2
19047
147
LYS
HD3
.262
1
5947
86
LYS
HD3
.269
2
19047
147
LYS
HD3
.279
1
4748
82
LYS
HD3
.28
1
4121
54
LYS
HD3
.28
2
4186
53
LYS
HD3
.29
2
4748
82
LYS
HD3
.294
1
17265
108
LYS
HD3
.295
2
5578
40
LYS
HD3
.3
.
19048
147
LYS
HD3
.302
1
16082
82
LYS
HD3
.302
2
10282
65
LYS
HD3
.306
2
7123
38
LYS
HD3
.306
1
16992
128
LYS
HD3
.309
1
5319
41
LYS
HD3
.31
1
10107
82
LYS
HD3
.312
2
4748
88
LYS
HD3
.316
1
18906
61
LYS
HD3
.317
.
4424
48
LYS
HD3
.32
1
5054
106
LYS
HD3
.33
2
4748
88
LYS
HD3
.332
1
5579
40
LYS
HD3
.34
.
15530
76
LYS
HD3
.34
2
4078
15
LYS
HD3
.34
1
17890
37
LYS
HD3
.345
2
17902
37
LYS
HD3
.347
2
4455
9
LYS
HD3
.35
2
10280
16
LYS
HD3
.353
2
15002
68
LYS
HD3
.357
.
7242
8
LYS
HD3
.357
2
4279
12
LYS
HD3
.37
1
5539
49
LYS
HD3
.37
1
6001
37
LYS
HD3
.37
2
16677
133
LYS
HD3
.375
2
19049
57
LYS
HD3
.38
2
5048
41
LYS
HD3
.38
1
4080
23
LYS
HD3
.38
2
16018
74
LYS
HD3
.381
1
4639
50
LYS
HD3
.389
1
15684
144
LYS
HD3
.389
.
4964
98
LYS
HD3
.4
1
16141
36
LYS
HD3
.4
.
4081
133
LYS
HD3
.4
2
5222
60
LYS
HD3
.4
4
7025
46
LYS
HD3
.407
2
5625
104
LYS
HD3
.41
2
18011
199
LYS
HD3
.415
2
11116
63
LYS
HD3
.418
2
15800
63
LYS
HD3
.42
2
10107
105
LYS
HD3
.422
2
4574
44
LYS
HD3
.43
1
4154
79
LYS
HD3
.43
2
15607
191
LYS
HD3
.434
1
17694
59
LYS
HD3
.44
.
15553
92
LYS
HD3
.44
1
7063
25
LYS
HD3
.446
2
10290
58
LYS
HD3
.446
2
10299
83
LYS
HD3
.449
2
5366
49
LYS
HD3
.45
2