GLU HG3 Chemical Shift Outliers

___________________________________________________
GLU HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15327
2.260
-.1
4.69
0.233


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5324
88
GLU
HG3
2.964
1
1379
126
GLU
HG3
2.97
2
4265
25
GLU
HG3
2.97
2
5745
63
GLU
HG3
2.97
2
5907
38
GLU
HG3
2.98
1
4931
45
GLU
HG3
2.98
1
4911
45
GLU
HG3
2.98
1
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
5907
87
GLU
HG3
3.01
2
5722
66
GLU
HG3
3.01
2
4127
126
GLU
HG3
3.02
9
1991
14
GLU
HG3
3.02
1
4602
59
GLU
HG3
3.04
9
5770
67
GLU
HG3
3.04
1
15091
202
GLU
HG3
3.042
2
6499
1
GLU
HG3
3.05
2
4270
67
GLU
HG3
3.05
2
6564
38
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
6743
54
GLU
HG3
3.06
1
6272
120
GLU
HG3
3.06
1
4774
79
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
4056
47
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
6634
41
GLU
HG3
3.34
2
4310
6
GLU
HG3
3.34
2
5625
41
GLU
HG3
3.36
2
6823
71
GLU
HG3
3.43
2
5304
35
GLU
HG3
3.67
2
4159
38
GLU
HG3
3.684
1
6724
112
GLU
HG3
3.8
.
5791
36
GLU
HG3
4.311
2
5937
12
GLU
HG3
4.69
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7165
79
GLU
HG3
-.067
1
5333
41
GLU
HG3
-.1
2
4837
108
GLU
HG3
.07
2
6337
81
GLU
HG3
.146
2
5352
94
GLU
HG3
.22
2
6810
80
GLU
HG3
.28
2
6873
250
GLU
HG3
.42
2
15193
81
GLU
HG3
.44
2
5013
16
GLU
HG3
.454
2
5594
48
GLU
HG3
.56
2
5179
56
GLU
HG3
.58
.
4252
43
GLU
HG3
.61
2
4027
17
GLU
HG3
.66
2
4251
43
GLU
HG3
.67
2
6938
83
GLU
HG3
.67
2
15127
21
GLU
HG3
.69
2
5061
87
GLU
HG3
.7
2
5181
118
GLU
HG3
.7
2
5654
27
GLU
HG3
.7184
2
6456
40
GLU
HG3
.74
2
6225
10
GLU
HG3
.75
2
4633
22
GLU
HG3
.78
.
4633
23
GLU
HG3
.78
.
5401
37
GLU
HG3
.8
2
7351
109
GLU
HG3
.817
2
6938
76
GLU
HG3
.83
2
5213
2
GLU
HG3
.843
1
15276
51
GLU
HG3
.94
2
7114
281
GLU
HG3
.97
2
6565
103
GLU
HG3
.98
2
7086
62
GLU
HG3
.98
2
5388
44
GLU
HG3
.98
2
6746
67
GLU
HG3
.986
2
4251
110
GLU
HG3
.99
2
4989
54
GLU
HG3
.9928
.
5907
25
GLU
HG3
0
1
4878
35
GLU
HG3
1.01
2
4252
110
GLU
HG3
1.02
2
5631
4
GLU
HG3
1.06
2
4407
58
GLU
HG3
1.06
2
5595
130
GLU
HG3
1.08
2
4386
71
GLU
HG3
1.09
.
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
15627
67
GLU
HG3
1.135
2
7034
77
GLU
HG3
1.135
.
5765
14
GLU
HG3
1.15
2
10006
59
GLU
HG3
1.152
2
15361
60
GLU
HG3
1.157
2
4122
39
GLU
HG3
1.18
2
5094
112
GLU
HG3
1.18
.
5010
93
GLU
HG3
1.18
2
6464
25
GLU
HG3
1.21
2
15007
5
GLU
HG3
1.21
1
1379
63
GLU
HG3
1.21
2
4448
75
GLU
HG3
1.22
2
376
63
GLU
HG3
1.22
2
15469
110
GLU
HG3
1.228
2
15618
96
GLU
HG3
1.228
2
5683
19
GLU
HG3
1.236
.
7172
137
GLU
HG3
1.239
2
6821
49
GLU
HG3
1.239
.
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
15540
45
GLU
HG3
1.276
2
15383
33
GLU
HG3
1.278
2
7121
169
GLU
HG3
1.28
2
6546
157
GLU
HG3
1.28
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
.
6336
102
GLU
HG3
1.31
2
7119
118
GLU
HG3
1.31
1
5054
75
GLU
HG3
1.32
2
5391
74
GLU
HG3
1.33
.
5554
95
GLU
HG3
1.33
2
7209
80
GLU
HG3
1.335
2
6601
37
GLU
HG3
1.336
2
5873
74
GLU
HG3
1.34
2
5399
45
GLU
HG3
1.34
2
4222
22
GLU
HG3
1.34
.
7087
39
GLU
HG3
1.35
1
5849
48
GLU
HG3
1.357
.
15109
35
GLU
HG3
1.359
2
5503
76
GLU
HG3
1.36
1
4973
39
GLU
HG3
1.364
2
4302
27
GLU
HG3
1.37
1
6873
326
GLU
HG3
1.37
2
6330
102
GLU
HG3
1.37
2
5115
41
GLU
HG3
1.38
2
5866
69
GLU
HG3
1.38
2
6142
88
GLU
HG3
1.38
1
6032
119
GLU
HG3
1.38
.
6287
41
GLU
HG3
1.386
2
15361
97
GLU
HG3
1.388
2
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
6372
63
GLU
HG3
1.4
2
6904
50
GLU
HG3
1.4
1
5929
110
GLU
HG3
1.41
2
4268
27
GLU
HG3
1.41
2
7172
72
GLU
HG3
1.412
2
15762
77
GLU
HG3
1.419
2
5010
108
GLU
HG3
1.42
2
5284
120
GLU
HG3
1.42
1
6581
55
GLU
HG3
1.42
2
15086
91
GLU
HG3
1.426
2
1394
29
GLU
HG3
1.43
1
5285
120
GLU
HG3
1.43
1
4205
59
GLU
HG3
1.43
2
1393
29
GLU
HG3
1.43
1
4553
23
GLU
HG3
1.43
2
7274
31
GLU
HG3
1.433
2
15361
115
GLU
HG3
1.433
2
4679
120
GLU
HG3
1.44
.
4205
102
GLU
HG3
1.44
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
4231
63
GLU
HG3
1.45
.
1393
55
GLU
HG3
1.45
1
1394
55
GLU
HG3
1.45
1
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
.
6726
73
GLU
HG3
1.47
1
4902
2
GLU
HG3
1.47
1
1394
12
GLU
HG3
1.47
1
329
12
GLU
HG3
1.47
1
2024
50
GLU
HG3
1.47
2
5686
133
GLU
HG3
1.47
2
6035
80
GLU
HG3
1.48
2
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
5309
102
GLU
HG3
1.49
2
6781
84
GLU
HG3
1.49
1
7280
29
GLU
HG3
1.49
1
126
73
GLU
HG3
1.49
2
6847
20
GLU
HG3
1.491
2
4313
51
GLU
HG3
1.5
2
6382
78
GLU
HG3
1.5
1
5570
17
GLU
HG3
1.5
4
5628
37
GLU
HG3
1.5
1
6860
62
GLU
HG3
1.5
2
4867
173
GLU
HG3
1.5
2
7053
65
GLU
HG3
1.5
2
4231
63
GLU
HG3
1.5
.
7231
35
GLU
HG3
1.502
2
7291
13
GLU
HG3
1.51
1
6295
166
GLU
HG3
1.513
1
4092
86
GLU
HG3
1.52
2
4779
88
GLU
HG3
1.52
2
15452
24
GLU
HG3
1.52
1
5083
75
GLU
HG3
1.52
1
5222
58
GLU
HG3
1.52
2
6631
57
GLU
HG3
1.526
2
7036
28
GLU
HG3
1.529
2
6711
50
GLU
HG3
1.53
1
6366
49
GLU
HG3
1.53
1
6055
132
GLU
HG3
1.53
1
4679
102
GLU
HG3
1.53
.
6605
50
GLU
HG3
1.53
.
6876
24
GLU
HG3
1.535
2
6777
45
GLU
HG3
1.535
1
7260
88
GLU
HG3
1.536
2
15126
23
GLU
HG3
1.536
2
7022
100
GLU
HG3
1.536
1
5933
34
GLU
HG3
1.54
1
7110
31
GLU
HG3
1.54
.
6518
59
GLU
HG3
1.54
2
7189
19
GLU
HG3
1.542
2
4460
85
GLU
HG3
1.543
2
11005
2
GLU
HG3
1.545
2
4899
26
GLU
HG3
1.546
1
5172
4
GLU
HG3
1.55
2
15263
26
GLU
HG3
1.55
2
5616
75
GLU
HG3
1.55
1
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
.
5866
41
GLU
HG3
1.56
2
5311
76
GLU
HG3
1.56
4
6011
44
GLU
HG3
1.56
1