LYS HD2 Chemical Shift Outliers

___________________________________________________
LYS HD2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
10768
1.613
-1.68
7.71
0.234


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6620
140
LYS
HD2
2.319
2
7103
85
LYS
HD2
2.32
2
4010
49
LYS
HD2
2.32
1
4184
9
LYS
HD2
2.34
2
4001
29
LYS
HD2
2.35
1
4288
13
LYS
HD2
2.38
2
15554
14
LYS
HD2
2.386
2
7322
96
LYS
HD2
2.426
1
6050
18
LYS
HD2
2.437
1
15281
6
LYS
HD2
2.438
2
4999
16
LYS
HD2
2.44
2
6299
49
LYS
HD2
2.448
2
4159
23
LYS
HD2
2.458
1
15232
64
LYS
HD2
2.476
1
4080
87
LYS
HD2
2.48
2
6680
8
LYS
HD2
2.481
1
6181
105
LYS
HD2
2.6
1
5624
148
LYS
HD2
2.61
4
4207
56
LYS
HD2
2.62
2
4431
62
LYS
HD2
2.67
2
5506
101
LYS
HD2
2.67
1
1991
50
LYS
HD2
2.7
1
4651
21
LYS
HD2
2.73
.
6762
38
LYS
HD2
2.75
.
6762
38
LYS
HD2
2.75
.
4651
6
LYS
HD2
2.76
.
5506
67
LYS
HD2
2.79
1
4559
49
LYS
HD2
2.81
.
5981
46
LYS
HD2
2.817
2
4681
84
LYS
HD2
2.83
.
5866
3
LYS
HD2
2.83
1
5235
56
LYS
HD2
2.83
1
6380
102
LYS
HD2
2.85
2
48
46
LYS
HD2
2.85
1
5328
84
LYS
HD2
2.858
1
4334
75
LYS
HD2
2.86
1
4404
11
LYS
HD2
2.87
2
4249
118
LYS
HD2
2.91
2
4179
5
LYS
HD2
2.93
1
5094
57
LYS
HD2
2.96
.
1495
6
LYS
HD2
2.96
1
4179
10
LYS
HD2
2.97
1
5094
35
LYS
HD2
2.97
.
5994
10
LYS
HD2
2.979
2
1495
63
LYS
HD2
2.98
1
4391
4
LYS
HD2
2.99
2
15325
87
LYS
HD2
3
.
4670
99
LYS
HD2
3
.
5952
70
LYS
HD2
3.02
1
1495
16
LYS
HD2
3.02
1
1495
69
LYS
HD2
3.02
1
4010
97
LYS
HD2
3.05
1
4207
32
LYS
HD2
3.06
2
5094
7
LYS
HD2
3.07
.
1495
37
LYS
HD2
3.07
1
6576
38
LYS
HD2
3.1
1
6576
38
LYS
HD2
3.1
1
5203
22
LYS
HD2
3.14
1
4207
39
LYS
HD2
3.18
2
2281
63
LYS
HD2
3.18
1
4648
202
LYS
HD2
3.19
.
5094
56
LYS
HD2
3.23
.
758
28
LYS
HD2
3.61
1
4948
70
LYS
HD2
7.71
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5963
18
LYS
HD2
-.102
1
5499
14
LYS
HD2
-.243
.
6344
76
LYS
HD2
-.44
2
5299
40
LYS
HD2
-.61
2
7097
11
LYS
HD2
-1.68
.
5094
87
LYS
HD2
.04
.
4869
73
LYS
HD2
.11
2
5991
79
LYS
HD2
.139
2
5738
23
LYS
HD2
.15
2
5009
98
LYS
HD2
.161
.
5844
65
LYS
HD2
.173
2
7123
38
LYS
HD2
.306
1
4424
48
LYS
HD2
.32
1
7036
54
LYS
HD2
.349
2
15536
54
LYS
HD2
.368
2
4639
50
LYS
HD2
.389
1
4574
44
LYS
HD2
.43
1
15322
74
LYS
HD2
.431
2
4186
53
LYS
HD2
.44
2
1875
133
LYS
HD2
.46
1
5539
49
LYS
HD2
.46
1
6256
94
LYS
HD2
.47
2
6731
60
LYS
HD2
.49
2
7203
26
LYS
HD2
.491
.
15092
79
LYS
HD2
.494
2
4893
83
LYS
HD2
.51
2
6525
7
LYS
HD2
.515
4
5630
52
LYS
HD2
.52
2
4722
127
LYS
HD2
.53
2
6479
56
LYS
HD2
.539
2
6003
66
LYS
HD2
.545
2
4638
44
LYS
HD2
.592
.
5742
150
LYS
HD2
.592
.
5529
45
LYS
HD2
.602
.
7242
8
LYS
HD2
.62
2
4562
33
LYS
HD2
.62
2
6222
13
LYS
HD2
.64
2
6902
16
LYS
HD2
.64
1
15385
21
LYS
HD2
.651
2
15404
74
LYS
HD2
.655
2
6854
10
LYS
HD2
.66
2
5206
34
LYS
HD2
.66
1
5975
21
LYS
HD2
.669
2
4670
117
LYS
HD2
.67
.
6799
69
LYS
HD2
.67
2
6303
39
LYS
HD2
.67
1
7002
4
LYS
HD2
.68
2
4969
98
LYS
HD2
.68
2
4721
9
LYS
HD2
.68
2
4092
96
LYS
HD2
.68
2
4562
1
LYS
HD2
.68
2
6137
65
LYS
HD2
.687
2
5222
55
LYS
HD2
.69
4
15427
21
LYS
HD2
.69
2
5068
34
LYS
HD2
.69
2
4305
90
LYS
HD2
.69
1
4317
62
LYS
HD2
.7
1
5803
34
LYS
HD2
.71
2
5804
34
LYS
HD2
.71
2
5975
21
LYS
HD2
.71
2
6705
97
LYS
HD2
.713
.
15128
45
LYS
HD2
.718
2
4424
40
LYS
HD2
.72
1
6322
35
LYS
HD2
.726
1
7025
46
LYS
HD2
.728
2
4079
56
LYS
HD2
.73
2
5036
51
LYS
HD2
.73
.
4424
39
LYS
HD2
.74
1
4121
54
LYS
HD2
.74
2
6052
96
LYS
HD2
.74
2
6302
43
LYS
HD2
.74
1
5667
40
LYS
HD2
.748
.
6759
132
LYS
HD2
.758
.
5078
8
LYS
HD2
.76
2
6615
20
LYS
HD2
.76
1
5789
75
LYS
HD2
.76
2
6001
37
LYS
HD2
.76
2
4812
26
LYS
HD2
.76
2
5128
24
LYS
HD2
.76
4
4878
67
LYS
HD2
.76
2
5536
9
LYS
HD2
.766
2
5701
115
LYS
HD2
.768
2
15061
80
LYS
HD2
.779
2
6538
101
LYS
HD2
.78
2
4052
133
LYS
HD2
.78
.
4081
133
LYS
HD2
.78
2
15020
78
LYS
HD2
.78
2
4901
53
LYS
HD2
.78
1
6312
108
LYS
HD2
.786
2
7095
28
LYS
HD2
.788
1
2049
32
LYS
HD2
.792
2
6829
57
LYS
HD2
.795
2
6159
104
LYS
HD2
.8
2
5506
66
LYS
HD2
.8
1
5388
9
LYS
HD2
.8
2
6202
74
LYS
HD2
.81
2
6563
4
LYS
HD2
.81
2
5251
46
LYS
HD2
.81
1
5004
89
LYS
HD2
.81
2
7105
51
LYS
HD2
.815
2
4010
64
LYS
HD2
.82
1
5241
93
LYS
HD2
.82
1
5499
82
LYS
HD2
.83
.
4391
2
LYS
HD2
.83
2
15750
9
LYS
HD2
.83
2
6226
57
LYS
HD2
.83
1
4843
89
LYS
HD2
.83
1
1696
140
LYS
HD2
.84
2
4010
24
LYS
HD2
.84
1
6443
126
LYS
HD2
.84
1
1876
28
LYS
HD2
.84
1
4282
129
LYS
HD2
.84
2
15627
64
LYS
HD2
.846
2
5554
61
LYS
HD2
.85
2
15167
38
LYS
HD2
.85
2
5128
48
LYS
HD2
.85
4
55
32
LYS
HD2
.85
2
6004
152
LYS
HD2
.85
1
6615
91
LYS
HD2
.86
1
4681
41
LYS
HD2
.86
.
4639
34
LYS
HD2
.866
2
6635
101
LYS
HD2
.867
1
481
9
LYS
HD2
.87
1
5349
56
LYS
HD2
.87
2
7281
13
LYS
HD2
.87
2
4681
3
LYS
HD2
.87
.
5978
26
LYS
HD2
.87
1
480
9
LYS
HD2
.87
1
5928
66
LYS
HD2
.87
2
7194
15
LYS
HD2
.871
2
6526
5
LYS
HD2
.8866163
2
4779
89
LYS
HD2
.89
2
15431
38
LYS
HD2
.89
1
5410
13
LYS
HD2
.893
2
6469
49
LYS
HD2
.894
2
15245
25
LYS
HD2
.898
1
15288
96
LYS
HD2
.9
2
4052
9
LYS
HD2
.9
.
4721
21
LYS
HD2
.9
1
5867
38
LYS
HD2
.901
1
5404
15
LYS
HD2
.902
2
7105
135
LYS
HD2
.905
2