LYS HE3 Chemical Shift Outliers

___________________________________________________
LYS HE3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
12357
2.911
-.046
6.83
0.228


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1633
29
LYS
HE3
3.6
2
5377
29
LYS
HE3
3.6
1
15305
5
LYS
HE3
3.614
1
15305
5
LYS
HE3
3.614
1
4231
70
LYS
HE3
3.62
.
4589
88
LYS
HE3
3.62
.
6013
58
LYS
HE3
3.62
1
5142
13
LYS
HE3
3.621
.
4777
19
LYS
HE3
3.63
1
7064
12
LYS
HE3
3.637
4
7064
30
LYS
HE3
3.639
1
5566
100
LYS
HE3
3.64
1
4574
62
LYS
HE3
3.65
1
932
6
LYS
HE3
3.68
2
4717
128
LYS
HE3
3.68
.
5377
48
LYS
HE3
3.71
2
4837
94
LYS
HE3
3.71
1
5943
16
LYS
HE3
3.71
1
4142
11
LYS
HE3
3.73
1
4797
32
LYS
HE3
3.74
2
4931
87
LYS
HE3
3.75
1
5805
51
LYS
HE3
3.76
1
4231
12
LYS
HE3
3.76
.
5937
17
LYS
HE3
3.764
1
4267
16
LYS
HE3
3.77
1
4821
53
LYS
HE3
3.788
1
4814
161
LYS
HE3
3.82
.
4098
49
LYS
HE3
3.83
2
4898
72
LYS
HE3
3.84
2
4001
49
LYS
HE3
3.9
1
4179
10
LYS
HE3
3.92
1
4216
30
LYS
HE3
3.92
1
1655
9
LYS
HE3
3.93
1
5402
42
LYS
HE3
3.94
1
5100
20
LYS
HE3
3.96
1
5100
20
LYS
HE3
3.99
1
6519
44
LYS
HE3
4.007
2
4435
80
LYS
HE3
4.04
2
4832
27
LYS
HE3
4.07
.
4832
55
LYS
HE3
4.07
.
6118
23
LYS
HE3
4.1
1
15593
98
LYS
HE3
4.114
2
5213
18
LYS
HE3
4.141
1
4368
14
LYS
HE3
4.16
1
4271
23
LYS
HE3
4.18
1
4417
54
LYS
HE3
4.32
1
6826
42
LYS
HE3
4.55
2
4368
74
LYS
HE3
4.62
1
5279
50
LYS
HE3
5.118
.
4719
129
LYS
HE3
6.83
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5142
97
LYS
HE3
-.046
.
5130
97
LYS
HE3
.008
.
5220
52
LYS
HE3
.212
2
6286
49
LYS
HE3
.5667
4
4743
10
LYS
HE3
.59
2
10102
91
LYS
HE3
.601
2
5809
61
LYS
HE3
.8
4
5809
61
LYS
HE3
.81
4
10084
85
LYS
HE3
.935
2
5392
49
LYS
HE3
.95
2
7367
6
LYS
HE3
0
?
10098
71
LYS
HE3
1.026
2
5779
92
LYS
HE3
1.028
2
6873
257
LYS
HE3
1.058
2
4748
82
LYS
HE3
1.09
1
5573
81
LYS
HE3
1.1
1
5366
40
LYS
HE3
1.1
2
4748
82
LYS
HE3
1.105
1
6001
37
LYS
HE3
1.13
2
7105
135
LYS
HE3
1.236
2
15439
22
LYS
HE3
1.239
.
15349
34
LYS
HE3
1.265
2
6626
68
LYS
HE3
1.3
2
6469
49
LYS
HE3
1.353
2
4726
69
LYS
HE3
1.42
.
5844
16
LYS
HE3
1.431
2
10039
84
LYS
HE3
1.436
2
4336
102
LYS
HE3
1.49
2
7184
79
LYS
HE3
1.5
2
5600
46
LYS
HE3
1.5
2
15603
28
LYS
HE3
1.513
2
6999
3
LYS
HE3
1.52
2
7025
46
LYS
HE3
1.56
2
7280
33
LYS
HE3
1.56
2
4838
52
LYS
HE3
1.58
1
15085
65
LYS
HE3
1.58
1
5304
47
LYS
HE3
1.58
1
6582
53
LYS
HE3
1.59
2
5388
9
LYS
HE3
1.61
2
6280
31
LYS
HE3
1.613
2
6030
62
LYS
HE3
1.62
1
4774
40
LYS
HE3
1.65
1
7105
51
LYS
HE3
1.661
2
5502
13
LYS
HE3
1.665
1
4681
3
LYS
HE3
1.67
.
4182
46
LYS
HE3
1.672
.
6159
104
LYS
HE3
1.69
2
4969
98
LYS
HE3
1.7
2
7414
140
LYS
HE3
1.704
2
4973
32
LYS
HE3
1.716
2
4381
63
LYS
HE3
1.746
2
4078
15
LYS
HE3
1.75
1
7203
26
LYS
HE3
1.751
.
10063
37
LYS
HE3
1.758
2
6539
16
LYS
HE3
1.763
1
6340
79
LYS
HE3
1.778
2
4079
56
LYS
HE3
1.78
1
15466
20
LYS
HE3
1.784
2
15003
19
LYS
HE3
1.784
2
4722
64
LYS
HE3
1.79
1
4052
9
LYS
HE3
1.8
.
1696
16
LYS
HE3
1.8
1
4682
3
LYS
HE3
1.81
.
6253
40
LYS
HE3
1.819
1
4053
9
LYS
HE3
1.82
.
6226
57
LYS
HE3
1.82
2
4858
29
LYS
HE3
1.83
2
10047
19
LYS
HE3
1.844
2
6731
60
LYS
HE3
1.847
2
5875
31
LYS
HE3
1.847
2
5605
54
LYS
HE3
1.85
2
15034
105
LYS
HE3
1.85
2
5162
24
LYS
HE3
1.85
2
4893
83
LYS
HE3
1.86
1
4562
1
LYS
HE3
1.86
2
4214
115
LYS
HE3
1.875
.
5004
89
LYS
HE3
1.88
1
15791
107
LYS
HE3
1.88
2
15373
52
LYS
HE3
1.88
2
4682
41
LYS
HE3
1.88
.
5274
10
LYS
HE3
1.89
2
6988
37
LYS
HE3
1.893
2
5579
40
LYS
HE3
1.9
.
5539
49
LYS
HE3
1.9
2
6519
60
LYS
HE3
1.9
2
10006
93
LYS
HE3
1.913
2
6159
188
LYS
HE3
1.92
2
6376
48
LYS
HE3
1.925
2
6583
26
LYS
HE3
1.93
1
6593
9
LYS
HE3
1.935
1
15568
63
LYS
HE3
1.935
2
6280
270
LYS
HE3
1.942
2
6410
15
LYS
HE3
1.956
2
10107
82
LYS
HE3
1.958
2
5823
26
LYS
HE3
1.96
2
5707
25
LYS
HE3
1.96
2
5821
26
LYS
HE3
1.96
2
15528
112
LYS
HE3
1.962
2
7324
25
LYS
HE3
1.964
1
5536
9
LYS
HE3
1.966
2
4360
53
LYS
HE3
1.97
2
7022
78
LYS
HE3
1.974
2
4867
25
LYS
HE3
1.98
1
4639
34
LYS
HE3
1.981
2
5937
100
LYS
HE3
1.985
1
4775
75
LYS
HE3
1.99
2
5319
41
LYS
HE3
1.99
1
5078
60
LYS
HE3
2
2
4041
5
LYS
HE3
2
1
5622
28
LYS
HE3
2
1
4603
75
LYS
HE3
2
2
4039
5
LYS
HE3
2
1
4758
43
LYS
HE3
2
1
7119
164
LYS
HE3
2.002
2
4417
97
LYS
HE3
2.01
2
5630
52
LYS
HE3
2.02
2
4110
69
LYS
HE3
2.02
2
4039
43
LYS
HE3
2.02
1
4138
9
LYS
HE3
2.02
1
5054
106
LYS
HE3
2.02
2
7158
31
LYS
HE3
2.024
2
4233
34
LYS
HE3
2.0253
2
6730
79
LYS
HE3
2.026
.
4234
19
LYS
HE3
2.029
2
4233
25
LYS
HE3
2.0292
2
4234
40
LYS
HE3
2.0294
2
4774
45
LYS
HE3
2.04
1
4403
10
LYS
HE3
2.04
2
4160
54
LYS
HE3
2.04
2
5009
98
LYS
HE3
2.041
.
15407
36
LYS
HE3
2.043
2
4867
94
LYS
HE3
2.05
1
15288
96
LYS
HE3
2.05
2
5232
41
LYS
HE3
2.05
1
4985
119
LYS
HE3
2.06
2
5601
46
LYS
HE3
2.06
2
4288
63
LYS
HE3
2.06
2
6781
45
LYS
HE3
2.06
1
2169
41
LYS
HE3
2.06
9
5982
83
LYS
HE3
2.06
.
4700
96
LYS
HE3
2.065
2
5701
34
LYS
HE3
2.069
2
4633
25
LYS
HE3
2.07
.
4184
32
LYS
HE3
2.07
2
4633
17
LYS
HE3
2.07
.
5304
12
LYS
HE3
2.07
1
4436
80
LYS
HE3
2.07
2
5529
45
LYS
HE3
2.074
.
4638
44
LYS
HE3
2.074
.
6576
16
LYS
HE3
2.08
2
6291
49
LYS
HE3
2.08
2
6576
16
LYS
HE3
2.08
2
5381
41
LYS
HE3
2.09
1
5982
34
LYS
HE3
2.09
.
1696
140
LYS
HE3
2.09
2
4748
88
LYS
HE3
2.097
1
6022
12
LYS
HE3
2.1
1
6230
66
LYS
HE3
2.1
4
5764
4
LYS
HE3
2.1
1
7231
99
LYS
HE3
2.102
4
10115
70
LYS
HE3
2.107
2
6280
116
LYS
HE3
2.108
2
15335
64
LYS
HE3
2.114
2
5880
33
LYS
HE3
2.119
1
15344
38
LYS
HE3
2.124
2
5056
41
LYS
HE3
2.125
2
4053
133
LYS
HE3
2.13
.
6705
97
LYS
HE3
2.13
.
4127
50
LYS
HE3
2.14
2
5349
56
LYS
HE3
2.14
1
5623
32
LYS
HE3
2.142
1
15002
68
LYS
HE3
2.143
.
10069
77
LYS
HE3
2.144
2
10115
25
LYS
HE3
2.147
2
4572
68
LYS
HE3
2.15
1
4562
96
LYS
HE3
2.15
1
4972
41
LYS
HE3
2.15
2
4127
45
LYS
HE3
2.15
9
6711
118
LYS
HE3
2.15
1
6415
97
LYS
HE3
2.15
2
5304
40
LYS
HE3
2.15
1
5803
97
LYS
HE3
2.15
2
15329
76
LYS
HE3
2.153
2
4067
30
LYS
HE3
2.16
1
5329
17
LYS
HE3
2.16
2
15517
96
LYS
HE3
2.16
1
5048
41
LYS
HE3
2.16
1
4127
8
LYS
HE3
2.16
2
7002
4
LYS
HE3
2.16
2
7207
70
LYS
HE3
2.164
1
4067
30
LYS
HE3
2.165
1
5128
35
LYS
HE3
2.17
4
6336
94
LYS
HE3
2.17
2
5069
97
LYS
HE3
2.17
2
15536
54
LYS
HE3
2.172
2
15280
72
LYS
HE3
2.173
1
4067
30
LYS
HE3
2.176
1
10042
99
LYS
HE3
2.18
2
10068
124
LYS
HE3
2.186
2
5241
54
LYS
HE3
2.19
1
4472
7
LYS
HE3
2.19
2
5807
97
LYS
HE3
2.19
2
4052
133
LYS
HE3
2.19
.
4145
32
LYS
HE3
2.191
1
5947
86
LYS
HE3
2.192
2
7036
32
LYS
HE3
2.192
2
11033
81
LYS
HE3
2.198
2
4382
50
LYS
HE3
2.2
2
6510
119
LYS
HE3
2.2
1
4681
41
LYS
HE3
2.2
.
4371
46
LYS
HE3
2.205
.
5337
19
LYS
HE3
2.21
2
6576
7
LYS
HE3
2.21
2
7281
13
LYS
HE3
2.21
1
6576
7
LYS
HE3
2.21
2
4083
6
LYS
HE3
2.22
2
6393
11
LYS
HE3
2.22
1
7242
8
LYS
HE3
2.224
2
15074
45
LYS
HE3
2.225
1
6854
10
LYS
HE3
2.226
1