GLU HG3 Chemical Shift Outliers

___________________________________________________
GLU HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11910
2.266
.44
3.8
0.219


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4812
8
GLU
HG3
2.93
2
6103
80
GLU
HG3
2.932
2
4215
46
GLU
HG3
2.94
1
4342
101
GLU
HG3
2.96
1
5324
88
GLU
HG3
2.964
1
4265
25
GLU
HG3
2.97
2
6820
87
GLU
HG3
2.99
1
6918
87
GLU
HG3
2.99
2
6460
107
GLU
HG3
2.991
2
5276
50
GLU
HG3
3
2
5912
56
GLU
HG3
3.002
2
5722
66
GLU
HG3
3.01
2
1991
14
GLU
HG3
3.02
1
5770
67
GLU
HG3
3.04
1
6564
38
GLU
HG3
3.05
2
6499
1
GLU
HG3
3.05
2
15269
68
GLU
HG3
3.055
2
4159
2
GLU
HG3
3.058
1
4994
62
GLU
HG3
3.06
1
4774
79
GLU
HG3
3.06
1
6272
120
GLU
HG3
3.06
1
6743
54
GLU
HG3
3.06
1
7009
23
GLU
HG3
3.064
.
4739
66
GLU
HG3
3.07
2
4159
18
GLU
HG3
3.076
2
6380
105
GLU
HG3
3.08
1
5982
88
GLU
HG3
3.1
.
5044
82
GLU
HG3
3.118
2
280
29
GLU
HG3
3.14
1
5887
42
GLU
HG3
3.15
2
5748
18
GLU
HG3
3.16
1
4821
145
GLU
HG3
3.173
1
15369
92
GLU
HG3
3.191
2
5346
5
GLU
HG3
3.2
1
5678
73
GLU
HG3
3.21
1
5798
60
GLU
HG3
3.22
1
5662
24
GLU
HG3
3.23
.
15247
70
GLU
HG3
3.242
2
5902
98
GLU
HG3
3.298
2
4310
6
GLU
HG3
3.34
2
4159
38
GLU
HG3
3.684
1
6724
112
GLU
HG3
3.8
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15193
81
GLU
HG3
.44
2
5013
16
GLU
HG3
.454
2
5594
48
GLU
HG3
.56
2
15127
21
GLU
HG3
.69
2
5061
87
GLU
HG3
.7
2
5654
27
GLU
HG3
.7184
2
6456
40
GLU
HG3
.74
2
6225
10
GLU
HG3
.75
2
7351
109
GLU
HG3
.817
2
5213
2
GLU
HG3
.843
1
15276
51
GLU
HG3
.94
2
7086
62
GLU
HG3
.98
2
5388
44
GLU
HG3
.98
2
6746
67
GLU
HG3
.986
2
4989
54
GLU
HG3
.9928
.
4878
35
GLU
HG3
1.01
2
4407
58
GLU
HG3
1.06
2
5595
130
GLU
HG3
1.08
2
5875
27
GLU
HG3
1.097
2
1071
38
GLU
HG3
1.1
1
15595
61
GLU
HG3
1.13
2
10028
25
GLU
HG3
1.133
2
7034
77
GLU
HG3
1.135
.
15627
67
GLU
HG3
1.135
2
5765
14
GLU
HG3
1.15
2
10006
59
GLU
HG3
1.152
2
5010
93
GLU
HG3
1.18
2
5094
112
GLU
HG3
1.18
.
4122
39
GLU
HG3
1.18
2
6464
25
GLU
HG3
1.21
2
15618
96
GLU
HG3
1.228
2
15469
110
GLU
HG3
1.228
2
5683
19
GLU
HG3
1.236
.
6821
49
GLU
HG3
1.239
.
7172
137
GLU
HG3
1.239
2
4884
58
GLU
HG3
1.24
2
7351
73
GLU
HG3
1.248
2
15468
9
GLU
HG3
1.25
2
6261
40
GLU
HG3
1.25
2
5205
3
GLU
HG3
1.252
.
15329
11
GLU
HG3
1.263
2
5328
52
GLU
HG3
1.267
2
15383
33
GLU
HG3
1.278
2
5103
5
GLU
HG3
1.28
2
15020
112
GLU
HG3
1.281
2
6213
39
GLU
HG3
1.289
2
6126
90
GLU
HG3
1.29
2
5899
46
GLU
HG3
1.294
.
7119
118
GLU
HG3
1.31
1
5391
74
GLU
HG3
1.33
.
5554
95
GLU
HG3
1.33
2
7209
80
GLU
HG3
1.335
2
5873
74
GLU
HG3
1.34
2
7087
39
GLU
HG3
1.35
1
5849
48
GLU
HG3
1.357
.
5503
76
GLU
HG3
1.36
1
5866
69
GLU
HG3
1.38
2
5115
41
GLU
HG3
1.38
2
6032
119
GLU
HG3
1.38
.
15327
15
GLU
HG3
1.39
2
15280
130
GLU
HG3
1.39
1
5845
85
GLU
HG3
1.39
2
6398
96
GLU
HG3
1.395
2
6904
50
GLU
HG3
1.4
1
6372
63
GLU
HG3
1.4
2
5929
110
GLU
HG3
1.41
2
7172
72
GLU
HG3
1.412
2
5284
120
GLU
HG3
1.42
1
5010
108
GLU
HG3
1.42
2
5285
120
GLU
HG3
1.43
1
7274
31
GLU
HG3
1.433
2
5628
120
GLU
HG3
1.44
1
6134
95
GLU
HG3
1.44
1
5495
31
GLU
HG3
1.446
1
15128
71
GLU
HG3
1.448
2
5622
6
GLU
HG3
1.45
1
4112
4
GLU
HG3
1.45
2
6752
230
GLU
HG3
1.45
.
5204
36
GLU
HG3
1.46
2
5973
87
GLU
HG3
1.468
.
2024
50
GLU
HG3
1.47
2
4902
2
GLU
HG3
1.47
1
5686
133
GLU
HG3
1.47
2
6726
73
GLU
HG3
1.47
1
4880
5
GLU
HG3
1.48
2
6603
20
GLU
HG3
1.482
2
6003
122
GLU
HG3
1.487
2
6079
74
GLU
HG3
1.488
1
6280
27
GLU
HG3
1.489
1
7123
22
GLU
HG3
1.489
1
6781
84
GLU
HG3
1.49
1
5309
102
GLU
HG3
1.49
2
6847
20
GLU
HG3
1.491
2
5570
17
GLU
HG3
1.5
4
5628
37
GLU
HG3
1.5
1
7053
65
GLU
HG3
1.5
2
7231
35
GLU
HG3
1.502
2
5222
58
GLU
HG3
1.52
2
4779
88
GLU
HG3
1.52
2
15452
24
GLU
HG3
1.52
1
4092
86
GLU
HG3
1.52
2
6631
57
GLU
HG3
1.526
2
7036
28
GLU
HG3
1.529
2
6055
132
GLU
HG3
1.53
1
6366
49
GLU
HG3
1.53
1
6711
50
GLU
HG3
1.53
1
6876
24
GLU
HG3
1.535
2
6777
45
GLU
HG3
1.535
1
7022
100
GLU
HG3
1.536
1
7260
88
GLU
HG3
1.536
2
15126
23
GLU
HG3
1.536
2
6518
59
GLU
HG3
1.54
2
5933
34
GLU
HG3
1.54
1
7189
19
GLU
HG3
1.542
2
4460
85
GLU
HG3
1.543
2
15263
26
GLU
HG3
1.55
2
7260
43
GLU
HG3
1.551
2
6631
16
GLU
HG3
1.552
2
6883
23
GLU
HG3
1.555
2
4892
6
GLU
HG3
1.56
.
5311
76
GLU
HG3
1.56
4
6011
44
GLU
HG3
1.56
1
5866
41
GLU
HG3
1.56
2
6613
99
GLU
HG3
1.561
2
5843
68
GLU
HG3
1.57
2
4714
13
GLU
HG3
1.57
1
6960
31
GLU
HG3
1.574
.
15347
40
GLU
HG3
1.58
2
4519
121
GLU
HG3
1.58
2
41
14
GLU
HG3
1.58
1
15038
39
GLU
HG3
1.581
2
5992
66
GLU
HG3
1.59
1
5722
64
GLU
HG3
1.59
2
2575
27
GLU
HG3
1.59
1
6372
119
GLU
HG3
1.59
2
6113
57
GLU
HG3
1.593
1
15343
92
GLU
HG3
1.598
2
15595
130
GLU
HG3
1.599
2
5866
74
GLU
HG3
1.6
2
4574
78
GLU
HG3
1.6
1
5544
5
GLU
HG3
1.6
.
5006
20
GLU
HG3
1.6
2
10137
139
GLU
HG3
1.601
2
7326
43
GLU
HG3
1.605
.