LYS HE2 Chemical Shift Outliers

___________________________________________________
LYS HE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14966
2.919
-.493
8.371
0.222


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6326
25
LYS
HE2
3.589
.
5377
29
LYS
HE2
3.6
1
4814
161
LYS
HE2
3.61
.
15305
5
LYS
HE2
3.614
1
15305
5
LYS
HE2
3.614
1
7324
60
LYS
HE2
3.619
1
4231
70
LYS
HE2
3.62
.
4229
70
LYS
HE2
3.62
2
6013
58
LYS
HE2
3.62
1
4777
19
LYS
HE2
3.63
1
7064
12
LYS
HE2
3.637
4
7064
30
LYS
HE2
3.639
1
4369
28
LYS
HE2
3.64
2
5279
18
LYS
HE2
3.647
.
4574
62
LYS
HE2
3.65
1
15723
99
LYS
HE2
3.653
2
4268
70
LYS
HE2
3.66
2
5297
38
LYS
HE2
3.66
2
6605
121
LYS
HE2
3.68
.
4744
42
LYS
HE2
3.698
.
4837
94
LYS
HE2
3.71
1
5943
16
LYS
HE2
3.71
1
4368
12
LYS
HE2
3.72
2
5241
85
LYS
HE2
3.73
1
4142
11
LYS
HE2
3.73
1
4931
87
LYS
HE2
3.75
1
6254
57
LYS
HE2
3.752
2
4229
12
LYS
HE2
3.76
2
4231
12
LYS
HE2
3.76
.
5805
51
LYS
HE2
3.76
1
5937
17
LYS
HE2
3.764
1
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
5142
13
LYS
HE2
3.855
.
6826
42
LYS
HE2
3.874
2
6540
68
LYS
HE2
3.89
2
4001
49
LYS
HE2
3.9
1
4313
85
LYS
HE2
3.9
2
1399
55
LYS
HE2
3.91
2
1396
55
LYS
HE2
3.91
2
1397
55
LYS
HE2
3.91
2
1398
55
LYS
HE2
3.91
2
4216
30
LYS
HE2
3.92
1
15393
60
LYS
HE2
3.92
.
4179
10
LYS
HE2
3.92
1
1655
9
LYS
HE2
3.93
1
5130
1
LYS
HE2
3.935
.
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
4435
80
LYS
HE2
4.05
2
6519
44
LYS
HE2
4.058
2
4832
55
LYS
HE2
4.07
.
4832
27
LYS
HE2
4.07
.
6519
15
LYS
HE2
4.076
2
6118
23
LYS
HE2
4.1
1
5213
18
LYS
HE2
4.13
1
4368
14
LYS
HE2
4.16
1
4271
23
LYS
HE2
4.18
1
5239
72
LYS
HE2
4.31
2
4417
54
LYS
HE2
4.32
1
4486
63
LYS
HE2
4.36
2
15424
107
LYS
HE2
4.361
1
4744
10
LYS
HE2
4.402
.
4486
61
LYS
HE2
4.43
2
4368
74
LYS
HE2
4.62
1
5325
56
LYS
HE2
8.371
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5130
97
LYS
HE2
-.42
.
5142
97
LYS
HE2
-.493
.
6626
68
LYS
HE2
.11
2
6340
79
LYS
HE2
.312
2
5274
10
LYS
HE2
.67
2
4011
70
LYS
HE2
.67
4
6286
49
LYS
HE2
.6935
4
5828
99
LYS
HE2
.72
4
4743
10
LYS
HE2
.72
2
7021
40
LYS
HE2
.75
2
10098
71
LYS
HE2
.949
2
7367
6
LYS
HE2
0
?
4985
119
LYS
HE2
1
2
4748
82
LYS
HE2
1.09
1
5573
81
LYS
HE2
1.1
1
4748
82
LYS
HE2
1.105
1
4360
128
LYS
HE2
1.13
2
5875
31
LYS
HE2
1.165
2
5809
61
LYS
HE2
1.22
4
4336
102
LYS
HE2
1.25
2
5630
52
LYS
HE2
1.26
2
447
52
LYS
HE2
1.31
2
15039
105
LYS
HE2
1.352
1
4486
44
LYS
HE2
1.38
2
6001
37
LYS
HE2
1.39
2
10107
82
LYS
HE2
1.403
2
6999
3
LYS
HE2
1.447
2
6873
257
LYS
HE2
1.485
2
7036
32
LYS
HE2
1.498
2
5304
47
LYS
HE2
1.58
1
15085
65
LYS
HE2
1.58
1
15003
19
LYS
HE2
1.598
2
15466
20
LYS
HE2
1.598
2
5809
61
LYS
HE2
1.6
4
6988
37
LYS
HE2
1.604
2
15325
87
LYS
HE2
1.61
.
6731
60
LYS
HE2
1.613
2
4360
53
LYS
HE2
1.62
2
6030
62
LYS
HE2
1.62
1
6410
15
LYS
HE2
1.627
2
4050
46
LYS
HE2
1.63
2
5220
52
LYS
HE2
1.645
2
4774
40
LYS
HE2
1.65
1
7184
79
LYS
HE2
1.65
2
5810
21
LYS
HE2
1.651
2
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
15509
85
LYS
HE2
1.7
2
15439
22
LYS
HE2
1.729
.
7105
135
LYS
HE2
1.731
2
4639
34
LYS
HE2
1.745
2
4078
15
LYS
HE2
1.75
1
10107
105
LYS
HE2
1.754
2
10039
84
LYS
HE2
1.76
2
6539
16
LYS
HE2
1.763
1
4562
1
LYS
HE2
1.77
2
4079
56
LYS
HE2
1.78
1
5319
41
LYS
HE2
1.79
1
4722
64
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
7104
38
LYS
HE2
1.81
2
6575
49
LYS
HE2
1.813
2
7025
46
LYS
HE2
1.817
2
5329
17
LYS
HE2
1.82
2
4053
9
LYS
HE2
1.82
.
6280
31
LYS
HE2
1.824
2
10084
85
LYS
HE2
1.836
2
7203
26
LYS
HE2
1.849
.
7280
33
LYS
HE2
1.85
2
15603
28
LYS
HE2
1.857
2
15517
96
LYS
HE2
1.86
2
4838
38
LYS
HE2
1.86
2
5392
49
LYS
HE2
1.86
2
4893
83
LYS
HE2
1.86
1
4973
32
LYS
HE2
1.862
2
10047
19
LYS
HE2
1.877
2
5821
26
LYS
HE2
1.88
2
4681
3
LYS
HE2
1.88
.
5823
26
LYS
HE2
1.88
2
5004
89
LYS
HE2
1.88
1
15288
96
LYS
HE2
1.9
2
6049
97
LYS
HE2
1.919
.
4838
51
LYS
HE2
1.92
1
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
6519
65
LYS
HE2
1.943
2
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
5366
40
LYS
HE2
1.97
2
5048
41
LYS
HE2
1.98
1
4867
25
LYS
HE2
1.98
1
5937
100
LYS
HE2
1.985
1
6519
53
LYS
HE2
1.995
2
4110
69
LYS
HE2
2
2
5622
28
LYS
HE2
2
1
4858
29
LYS
HE2
2
2
4682
3
LYS
HE2
2.01
.
7002
4
LYS
HE2
2.01
2
4138
9
LYS
HE2
2.02
1
6376
48
LYS
HE2
2.02
2
4233
34
LYS
HE2
2.0246
2
6519
60
LYS
HE2
2.025
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
4053
133
LYS
HE2
2.03
.
4855
41
LYS
HE2
2.03
9
5844
16
LYS
HE2
2.033
2
4774
45
LYS
HE2
2.04
1
5804
97
LYS
HE2
2.04
2
7105
51
LYS
HE2
2.04
2
5009
98
LYS
HE2
2.041
.
7349
49
LYS
HE2
2.044
.
6599
12
LYS
HE2
2.045
2
6415
97
LYS
HE2
2.05
2
5068
97
LYS
HE2
2.05
2
5232
41
LYS
HE2
2.05
1
6230
66
LYS
HE2
2.05
4
4867
94
LYS
HE2
2.05
1
6253
40
LYS
HE2
2.051
1
5779
92
LYS
HE2
2.053
2
15349
34
LYS
HE2
2.053
2
6333
66
LYS
HE2
2.055
2
6444
44
LYS
HE2
2.056
.
6199
68
LYS
HE2
2.06
2
2169
41
LYS
HE2
2.06
9
4868
41
LYS
HE2
2.06
9
7108
54
LYS
HE2
2.07
2
4633
25
LYS
HE2
2.07
.
5304
12
LYS
HE2
2.07
1
5402
27
LYS
HE2
2.07
2
5803
97
LYS
HE2
2.07
2
4633
17
LYS
HE2
2.07
.
6333
58
LYS
HE2
2.071
2
5650
78
LYS
HE2
2.076
1
4838
64
LYS
HE2
2.08
1
5069
97
LYS
HE2
2.08
2
5729
34
LYS
HE2
2.08
1
4052
133
LYS
HE2
2.08
.
4255
122
LYS
HE2
2.08
2
4721
9
LYS
HE2
2.08
2
10006
93
LYS
HE2
2.088
2
5381
41
LYS
HE2
2.09
1
7109
54
LYS
HE2
2.095
2
5719
45
LYS
HE2
2.097
1
5764
4
LYS
HE2
2.1
1
5162
24
LYS
HE2
2.1
2
4758
43
LYS
HE2
2.1
1
6230
66
LYS
HE2
2.1
4
6022
12
LYS
HE2
2.1
1
7158
31
LYS
HE2
2.109
2
5579
40
LYS
HE2
2.11
.
6226
57
LYS
HE2
2.11
2
5982
83
LYS
HE2
2.11
.
6314
73
LYS
HE2
2.117
2
7324
25
LYS
HE2
2.119
1
5597
70
LYS
HE2
2.12
1
7252
6
LYS
HE2
2.12
2
5567
9
LYS
HE2
2.12
1
5625
104
LYS
HE2
2.12
2
5078
60
LYS
HE2
2.12
2
4812
26
LYS
HE2
2.12
2
15536
54
LYS
HE2
2.122
2
5536
9
LYS
HE2
2.123
2
5054
106
LYS
HE2
2.13
2
4288
63
LYS
HE2
2.13
2
4160
54
LYS
HE2
2.13
2
6705
97
LYS
HE2
2.13
.
4964
98
LYS
HE2
2.13
1
11010
96
LYS
HE2
2.136
2
5388
9
LYS
HE2
2.14
2
6997
9
LYS
HE2
2.14
1
5172
70
LYS
HE2
2.14
2
5349
56
LYS
HE2
2.14
1
6634
104
LYS
HE2
2.15
2
6711
118
LYS
HE2
2.15
1
5304
40
LYS
HE2
2.15
1
5982
34
LYS
HE2
2.15
.
4572
68
LYS
HE2
2.15
1
10034
98
LYS
HE2
2.151
2
10102
91
LYS
HE2
2.153
2
15593
59
LYS
HE2
2.155
2
4067
30
LYS
HE2
2.16
1
5982
63
LYS
HE2
2.16
.
6613
84
LYS
HE2
2.164
2
7207
70
LYS
HE2
2.164
1
4067
30
LYS
HE2
2.165
1
6902
16
LYS
HE2
2.17
1
5605
54
LYS
HE2
2.17
2
15270
114
LYS
HE2
2.17
2
5128
35
LYS
HE2
2.17
4
7231
99
LYS
HE2
2.172
4
15280
72
LYS
HE2
2.173
1
4067
30
LYS
HE2
2.176
1
4140
70
LYS
HE2
2.18
2
5600
46
LYS
HE2
2.18
2
4491
70
LYS
HE2
2.18
2
5667
40
LYS
HE2
2.183
.
6730
79
LYS
HE2
2.184
.
5056
41
LYS
HE2
2.184
2
6341
41
LYS
HE2
2.184
2
4428
62
LYS
HE2
2.19
.
6291
49
LYS
HE2
2.19
2
5241
54
LYS
HE2
2.19
1
4145
32
LYS
HE2
2.191
1
6519
48
LYS
HE2
2.192
2
15126
76
LYS
HE2
2.193
2
4681
41
LYS
HE2
2.2
.
4838
70
LYS
HE2
2.2
1
4775
75
LYS
HE2
2.2
2
4682
41
LYS
HE2
2.2
.
4637
56
LYS
HE2
2.2
4
4945
87
LYS
HE2
2.2
1
6519
46
LYS
HE2
2.2
2
4436
80
LYS
HE2
2.2
2
10036
83
LYS
HE2
2.204
2
4812
26
LYS
HE2
2.21
2
4837
109
LYS
HE2
2.21
2
5624
30
LYS
HE2
2.21
2
7281
13
LYS
HE2
2.21
1
6193
97
LYS
HE2
2.211
1
15028
54
LYS
HE2
2.219
2
15288
78
LYS
HE2
2.22
2
6393
11
LYS
HE2
2.22
1
5025
70
LYS
HE2
2.22
3
6356
106
LYS
HE2
2.222
.
15074
45
LYS
HE2
2.225
1
6829
40
LYS
HE2
2.226
2
6854
10
LYS
HE2
2.226
1
4828
88
LYS
HE2
2.23
.
4417
97
LYS
HE2
2.23
2
15063
65
LYS
HE2
2.23
2
6256
94
LYS
HE2
2.23
2
6159
188
LYS
HE2
2.23
2
6725
106
LYS
HE2
2.23
1
5529
45
LYS
HE2
2.232
.
4638
44
LYS
HE2
2.232
.
5880
33
LYS
HE2
2.238
1
4972
41
LYS
HE2
2.24
2
6159
104
LYS
HE2
2.24
2
15528
112
LYS
HE2
2.243
2
10063
37
LYS
HE2
2.245
2
6769
80
LYS
HE2
2.246
1
15028
50
LYS
HE2
2.246
2
15028
4
LYS
HE2
2.248
2
5539
49
LYS
HE2
2.25
2
15610
23