LYS HE2 Chemical Shift Outliers

___________________________________________________
LYS HE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
10584
2.924
1.165
4.361
0.192


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6433
23
LYS
HE2
3.51
2
7322
96
LYS
HE2
3.51
1
4375
33
LYS
HE2
3.514
2
5678
54
LYS
HE2
3.52
1
6272
54
LYS
HE2
3.52
1
6912
19
LYS
HE2
3.53
2
1633
29
LYS
HE2
3.53
2
4797
32
LYS
HE2
3.53
2
6003
158
LYS
HE2
3.532
1
15424
131
LYS
HE2
3.543
1
6868
61
LYS
HE2
3.547
1
4848
198
LYS
HE2
3.55
.
5187
89
LYS
HE2
3.56
2
6004
152
LYS
HE2
3.56
1
4901
95
LYS
HE2
3.57
1
6326
25
LYS
HE2
3.589
.
15305
5
LYS
HE2
3.614
1
15305
5
LYS
HE2
3.614
1
7324
60
LYS
HE2
3.619
1
6013
58
LYS
HE2
3.62
1
7064
12
LYS
HE2
3.637
4
7064
30
LYS
HE2
3.639
1
4369
28
LYS
HE2
3.64
2
4574
62
LYS
HE2
3.65
1
15723
99
LYS
HE2
3.653
2
5297
38
LYS
HE2
3.66
2
5943
16
LYS
HE2
3.71
1
5241
85
LYS
HE2
3.73
1
4142
11
LYS
HE2
3.73
1
6254
57
LYS
HE2
3.752
2
4267
16
LYS
HE2
3.77
1
4821
53
LYS
HE2
3.788
1
5127
36
LYS
HE2
3.8
2
4161
74
LYS
HE2
3.8
2
6826
42
LYS
HE2
3.874
2
6540
68
LYS
HE2
3.89
2
4001
49
LYS
HE2
3.9
1
1398
55
LYS
HE2
3.91
2
1396
55
LYS
HE2
3.91
2
1397
55
LYS
HE2
3.91
2
1399
55
LYS
HE2
3.91
2
4179
10
LYS
HE2
3.92
1
5402
42
LYS
HE2
3.94
1
5100
20
LYS
HE2
3.96
1
15424
96
LYS
HE2
3.986
1
5100
20
LYS
HE2
3.99
1
4832
27
LYS
HE2
4.07
.
4832
55
LYS
HE2
4.07
.
6118
23
LYS
HE2
4.1
1
5213
18
LYS
HE2
4.13
1
4271
23
LYS
HE2
4.18
1
4417
54
LYS
HE2
4.32
1
15424
107
LYS
HE2
4.361
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5875
31
LYS
HE2
1.165
2
4336
102
LYS
HE2
1.25
2
5630
52
LYS
HE2
1.26
2
15039
105
LYS
HE2
1.352
1
6001
37
LYS
HE2
1.39
2
6999
3
LYS
HE2
1.447
2
7036
32
LYS
HE2
1.498
2
15085
65
LYS
HE2
1.58
1
15003
19
LYS
HE2
1.598
2
6988
37
LYS
HE2
1.604
2
15325
87
LYS
HE2
1.61
.
6731
60
LYS
HE2
1.613
2
6410
15
LYS
HE2
1.627
2
4774
40
LYS
HE2
1.65
1
5502
13
LYS
HE2
1.665
1
6280
270
LYS
HE2
1.672
2
5867
38
LYS
HE2
1.696
1
4382
50
LYS
HE2
1.7
2
7105
135
LYS
HE2
1.731
2
4639
34
LYS
HE2
1.745
2
4562
1
LYS
HE2
1.77
2
4079
56
LYS
HE2
1.78
1
4722
64
LYS
HE2
1.79
1
5319
41
LYS
HE2
1.79
1
4052
9
LYS
HE2
1.8
.
1696
16
LYS
HE2
1.8
1
6469
49
LYS
HE2
1.803
2
5397
35
LYS
HE2
1.81
2
7025
46
LYS
HE2
1.817
2
5329
17
LYS
HE2
1.82
2
6280
31
LYS
HE2
1.824
2
7203
26
LYS
HE2
1.849
.
15603
28
LYS
HE2
1.857
2
4893
83
LYS
HE2
1.86
1
5004
89
LYS
HE2
1.88
1
5823
26
LYS
HE2
1.88
2
4681
3
LYS
HE2
1.88
.
5821
26
LYS
HE2
1.88
2
15288
96
LYS
HE2
1.9
2
4969
98
LYS
HE2
1.92
2
6583
26
LYS
HE2
1.93
1
7231
101
LYS
HE2
1.934
4
6593
9
LYS
HE2
1.935
1
6280
116
LYS
HE2
1.947
2
1696
140
LYS
HE2
1.95
2
4092
96
LYS
HE2
1.96
2
5194
28
LYS
HE2
1.96
2
15568
63
LYS
HE2
1.966
2
5048
41
LYS
HE2
1.98
1
4858
29
LYS
HE2
2
2
4110
69
LYS
HE2
2
2
5622
28
LYS
HE2
2
1
7002
4
LYS
HE2
2.01
2
4682
3
LYS
HE2
2.01
.
6376
48
LYS
HE2
2.02
2
4233
34
LYS
HE2
2.0246
2
4234
19
LYS
HE2
2.029
2
4233
25
LYS
HE2
2.0292
2
4234
40
LYS
HE2
2.0294
2
4234
4
LYS
HE2
2.0297
2
5844
16
LYS
HE2
2.033
2
7105
51
LYS
HE2
2.04
2
4774
45
LYS
HE2
2.04
1
5804
97
LYS
HE2
2.04
2
5009
98
LYS
HE2
2.041
.
5068
97
LYS
HE2
2.05
2
6415
97
LYS
HE2
2.05
2
5232
41
LYS
HE2
2.05
1
6333
66
LYS
HE2
2.055
2
2169
41
LYS
HE2
2.06
9
4868
41
LYS
HE2
2.06
9
6199
68
LYS
HE2
2.06
2
5402
27
LYS
HE2
2.07
2
5803
97
LYS
HE2
2.07
2
6333
58
LYS
HE2
2.071
2
5650
78
LYS
HE2
2.076
1
4721
9
LYS
HE2
2.08
2
4255
122
LYS
HE2
2.08
2
4052
133
LYS
HE2
2.08
.
5069
97
LYS
HE2
2.08
2
10006
93
LYS
HE2
2.088
2
5381
41
LYS
HE2
2.09
1
5719
45
LYS
HE2
2.097
1
5764
4
LYS
HE2
2.1
1
4758
43
LYS
HE2
2.1
1
5162
24
LYS
HE2
2.1
2
6022
12
LYS
HE2
2.1
1
6226
57
LYS
HE2
2.11
2
5982
83
LYS
HE2
2.11
.
5579
40
LYS
HE2
2.11
.
6314
73
LYS
HE2
2.117
2
7324
25
LYS
HE2
2.119
1
7252
6
LYS
HE2
2.12
2
5078
60
LYS
HE2
2.12
2
4812
26
LYS
HE2
2.12
2
5567
9
LYS
HE2
2.12
1
15536
54
LYS
HE2
2.122
2
5536
9
LYS
HE2
2.123
2
4288
63
LYS
HE2
2.13
2
6705
97
LYS
HE2
2.13
.
4160
54
LYS
HE2
2.13
2
5388
9
LYS
HE2
2.14
2
5349
56
LYS
HE2
2.14
1
5982
34
LYS
HE2
2.15
.
4572
68
LYS
HE2
2.15
1
6711
118
LYS
HE2
2.15
1
5982
63
LYS
HE2
2.16
.
6613
84
LYS
HE2
2.164
2
5128
35
LYS
HE2
2.17
4
6902
16
LYS
HE2
2.17
1
5605
54
LYS
HE2
2.17
2
7231
99
LYS
HE2
2.172
4
15280
72
LYS
HE2
2.173
1
4140
70
LYS
HE2
2.18
2
4491
70
LYS
HE2
2.18
2
5667
40
LYS
HE2
2.183
.
6341
41
LYS
HE2
2.184
2
5056
41
LYS
HE2
2.184
2
4428
62
LYS
HE2
2.19
.
5241
54
LYS
HE2
2.19
1
6291
49
LYS
HE2
2.19
2
4145
32
LYS
HE2
2.191
1
15126
76
LYS
HE2
2.193
2
4945
87
LYS
HE2
2.2
1
4637
56
LYS
HE2
2.2
4
4682
41
LYS
HE2
2.2
.
4775
75
LYS
HE2
2.2
2
4681
41
LYS
HE2
2.2
.
5624
30
LYS
HE2
2.21
2
4812
26
LYS
HE2
2.21
2
7281
13
LYS
HE2
2.21
1
6193
97
LYS
HE2
2.211
1
6393
11
LYS
HE2
2.22
1
5025
70
LYS
HE2
2.22
3
15288
78
LYS
HE2
2.22
2
6356
106
LYS
HE2
2.222
.
15074
45
LYS
HE2
2.225
1
6854
10
LYS
HE2
2.226
1
6829
40
LYS
HE2
2.226
2
15063
65
LYS
HE2
2.23
2
4828
88
LYS
HE2
2.23
.
4417
97
LYS
HE2
2.23
2
6159
188
LYS
HE2
2.23
2
6725
106
LYS
HE2
2.23
1
6256
94
LYS
HE2
2.23
2
5529
45
LYS
HE2
2.232
.
4638
44
LYS
HE2
2.232
.
4972
41
LYS
HE2
2.24
2
6159
104
LYS
HE2
2.24
2
15528
112
LYS
HE2
2.243
2
6769
80
LYS
HE2
2.246
1
15610
23
LYS
HE2
2.25
2
5539
49
LYS
HE2
2.25
2
15167
38
LYS
HE2
2.25
2
5974
19
LYS
HE2
2.253
2
7022
78
LYS
HE2
2.257
2
5623
32
LYS
HE2
2.259
1
4184
32
LYS
HE2
2.26
2
5537
59
LYS
HE2
2.26
2
15092
79
LYS
HE2
2.263
2
6563
4
LYS
HE2
2.265
1
6635
101
LYS
HE2
2.27
2
4278
78
LYS
HE2
2.27
1
5397
28
LYS
HE2
2.27
1
4310
13
LYS
HE2
2.27
1
4737
112
LYS
HE2
2.278
1
5906
4
LYS
HE2
2.28
2
6344
76
LYS
HE2
2.28
1
15750
7
LYS
HE2
2.28
2
4603
75
LYS
HE2
2.28
2
491
51
LYS
HE2
2.28
2
15322
74
LYS
HE2
2.285
2
5217
77
LYS
HE2
2.29
2
4282
129
LYS
HE2
2.29
2
4722
37
LYS
HE2
2.29
1
5707
25
LYS
HE2
2.29
2
5622
27
LYS
HE2
2.29
1
2151
51
LYS
HE2
2.29
2
6631
53
LYS
HE2
2.295
2
4446
54
LYS
HE2
2.3
.
15341
49
LYS
HE2
2.3
2
6127
16
LYS
HE2
2.306
2
6443
126
LYS
HE2
2.31
2
6923
48
LYS
HE2
2.319
2
5615
58
LYS
HE2
2.32
2
6272
62
LYS
HE2
2.32
1
6433
91
LYS
HE2
2.32
2
10137
138
LYS
HE2
2.322
2
4249
82
LYS
HE2
2.33
2
5823
163
LYS
HE2
2.33
1
5822
45
LYS
HE2
2.33
1
5578
40
LYS
HE2
2.33
.
4092
100
LYS
HE2
2.33
2
4849
119
LYS
HE2
2.33
1
6256
9
LYS
HE2
2.33
1
6310
34
LYS
HE2
2.331
.
6933
12
LYS
HE2
2.335
1
11033
81
LYS
HE2
2.337
2
5654
50
LYS
HE2
2.3385
1
5578
101
LYS
HE2
2.34
.
1478
34
LYS
HE2
2.34
2
15210
59
LYS
HE2
2.341
2
7242
8
LYS
HE2
2.343
2
6771
18
LYS
HE2
2.347
2