GLU HG3 Chemical Shift Outliers

___________________________________________________
GLU HG3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
24188
2.248
.56
3.8
0.213


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16897
83
GLU
HG3
2.889
2
15137
43
GLU
HG3
2.889
2
6769
50
GLU
HG3
2.89
1
16617
81
GLU
HG3
2.89
.
11299
10
GLU
HG3
2.896
2
15927
133
GLU
HG3
2.898
2
5552
6
GLU
HG3
2.9
1
17264
127
GLU
HG3
2.901
2
16630
132
GLU
HG3
2.905
2
15427
76
GLU
HG3
2.91
2
4560
64
GLU
HG3
2.91
2
5000
2
GLU
HG3
2.91
1
15279
105
GLU
HG3
2.91
2
5975
76
GLU
HG3
2.913
2
5577
71
GLU
HG3
2.916
.
5946
53
GLU
HG3
2.92
1
15663
70
GLU
HG3
2.92
1
6207
45
GLU
HG3
2.92
2
7107
74
GLU
HG3
2.921
1
16362
132
GLU
HG3
2.922
2
5975
76
GLU
HG3
2.923
2
17896
35
GLU
HG3
2.92357
.
18269
52
GLU
HG3
2.925
2
16630
23
GLU
HG3
2.927
2
18169
74
GLU
HG3
2.928
2
17896
11
GLU
HG3
2.92857
.
4812
8
GLU
HG3
2.93
2
15418
72
GLU
HG3
2.93
1
6103
80
GLU
HG3
2.932
2
18976
143
GLU
HG3
2.935
2
17192
82
GLU
HG3
2.947
2
16362
23
GLU
HG3
2.948
2
11299
61
GLU
HG3
2.948
1
16269
12
GLU
HG3
2.952
2
18976
70
GLU
HG3
2.959
2
17719
50
GLU
HG3
2.96
2
11298
15
GLU
HG3
2.96
2
4342
101
GLU
HG3
2.96
1
11279
28
GLU
HG3
2.962
2
5324
88
GLU
HG3
2.964
1
18000
87
GLU
HG3
2.97
2
4931
45
GLU
HG3
2.98
1
17898
35
GLU
HG3
2.98741
.
6918
87
GLU
HG3
2.99
2
6820
87
GLU
HG3
2.99
1
6460
107
GLU
HG3
2.991
2
17898
11
GLU
HG3
2.99241
.
18663
132
GLU
HG3
2.995
2
11192
75
GLU
HG3
2.997
2
15555
40
GLU
HG3
3.001
1
5912
56
GLU
HG3
3.002
2
5722
66
GLU
HG3
3.01
2
1991
14
GLU
HG3
3.02
1
17717
202
GLU
HG3
3.02
2
17368
24
GLU
HG3
3.037
2
11298
46
GLU
HG3
3.039
2
5770
67
GLU
HG3
3.04
1
10148
37
GLU
HG3
3.042
2
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
11299
24
GLU
HG3
3.058
2
4774
79
GLU
HG3
3.06
1
4994
62
GLU
HG3
3.06
1
6272
120
GLU
HG3
3.06
1
17531
7
GLU
HG3
3.062
2
7009
23
GLU
HG3
3.064
.
11298
18
GLU
HG3
3.068
1
4739
66
GLU
HG3
3.07
2
18002
99
GLU
HG3
3.076
1
4159
18
GLU
HG3
3.076
2
6380
105
GLU
HG3
3.08
1
16473
39
GLU
HG3
3.09
2
5982
88
GLU
HG3
3.1
.
11298
25
GLU
HG3
3.117
2
17561
81
GLU
HG3
3.138
.
280
29
GLU
HG3
3.14
1
11299
40
GLU
HG3
3.144
1
5887
42
GLU
HG3
3.15
2
18389
101
GLU
HG3
3.15
2
16567
26
GLU
HG3
3.152
2
5748
18
GLU
HG3
3.16
1
16440
140
GLU
HG3
3.165
2
11298
17
GLU
HG3
3.172
1
4821
145
GLU
HG3
3.173
1
11298
45
GLU
HG3
3.186
2
15369
92
GLU
HG3
3.191
2
18939
32
GLU
HG3
3.192
2
5346
5
GLU
HG3
3.2
1
10038
36
GLU
HG3
3.201
2
5678
73
GLU
HG3
3.21
1
5798
60
GLU
HG3
3.22
1
5662
24
GLU
HG3
3.23
.
17691
33
GLU
HG3
3.235
2
18478
87
GLU
HG3
3.2355
2
15247
70
GLU
HG3
3.242
2
5902
98
GLU
HG3
3.298
2
17633
54
GLU
HG3
3.316
2
16841
40
GLU
HG3
3.34
1
4310
6
GLU
HG3
3.34
2
4159
38
GLU
HG3
3.684
1
16653
87
GLU
HG3
3.686
2
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
5594
48
GLU
HG3
.56
2
16883
15
GLU
HG3
.605
2
17783
46
GLU
HG3
.648
2
15127
21
GLU
HG3
.69
2
17476
41
GLU
HG3
.698
2
16373
10
GLU
HG3
.699
2
5061
87
GLU
HG3
.7
2
17192
75
GLU
HG3
.703
2
18954
41
GLU
HG3
.707
1
5654
27
GLU
HG3
.7184
2
16681
48
GLU
HG3
.742
2
11299
38
GLU
HG3
.757
2
18215
129
GLU
HG3
.796
2
15578
346
GLU
HG3
.811
2
17830
77
GLU
HG3
.833
2
17239
11
GLU
HG3
.842
2
11330
101
GLU
HG3
.843
2
17831
77
GLU
HG3
.863
1
17880
90
GLU
HG3
.869
2
16846
84
GLU
HG3
.929
.
16689
24
GLU
HG3
.945
2
7223
50
GLU
HG3
.959
2
11084
19
GLU
HG3
.971
2
7086
62
GLU
HG3
.98
2
6746
67
GLU
HG3
.986
2
15334
38
GLU
HG3
.989
2
11138
71
GLU
HG3
.99
2
4989
54
GLU
HG3
.9928
.
18732
3
GLU
HG3
.993
1
11088
44
GLU
HG3
.995
2
4878
35
GLU
HG3
1.01
2
11081
31
GLU
HG3
1.013
2
11321
43
GLU
HG3
1.044
2
11153
40
GLU
HG3
1.049
2
11101
15
GLU
HG3
1.053
2
4407
58
GLU
HG3
1.06
2
11113
28
GLU
HG3
1.065
2
5595
130
GLU
HG3
1.08
2
11222
34
GLU
HG3
1.081
2
17683
111
GLU
HG3
1.085
2
18663
99
GLU
HG3
1.09
2
1071
38
GLU
HG3
1.1
1
16350
22
GLU
HG3
1.124
1
15595
61
GLU
HG3
1.13
2
11088
46
GLU
HG3
1.131
2
10028
25
GLU
HG3
1.133
2
15627
67
GLU
HG3
1.135
2
7034
77
GLU
HG3
1.135
.
11192
31
GLU
HG3
1.138
2
16963
7
GLU
HG3
1.139
1
11365
57
GLU
HG3
1.148
2
5765
14
GLU
HG3
1.15
2
10006
59
GLU
HG3
1.152
2
15700
48
GLU
HG3
1.168
2
4122
39
GLU
HG3
1.18
2
16997
103
GLU
HG3
1.184
2
16665
55
GLU
HG3
1.189
2
15752
31
GLU
HG3
1.191
.
18917
76
GLU
HG3
1.195
2
11080
87
GLU
HG3
1.196
2
17524
36
GLU
HG3
1.198
2
16662
55
GLU
HG3
1.203
2
18856
11
GLU
HG3
1.22
.
11040
33
GLU
HG3
1.222
2
15618
96
GLU
HG3
1.228
2
15469
110
GLU
HG3
1.228
2
16620
47
GLU
HG3
1.233
2
7172
137
GLU
HG3
1.239
2
4884
58
GLU
HG3
1.24
2
16613
96
GLU
HG3
1.246
2
6261
40
GLU
HG3
1.25
2
5205
3
GLU
HG3
1.252
.
11137
45
GLU
HG3
1.258
2
15329
11
GLU
HG3
1.263
2
17505
30
GLU
HG3
1.264
2
16161
51
GLU
HG3
1.266
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
11330
65
GLU
HG3
1.287
2
6126
90
GLU
HG3
1.29
2
5899
46
GLU
HG3
1.294
.
16380
82
GLU
HG3
1.304
2
7119
118
GLU
HG3
1.31
1
17600
64
GLU
HG3
1.31
2
16260
38
GLU
HG3
1.313
2
5391
74
GLU
HG3
1.33
.
18086
45
GLU
HG3
1.33
2
17238
11
GLU
HG3
1.331
2
16578
122
GLU
HG3
1.334
2
7209
80
GLU
HG3
1.335
2
5873
74
GLU
HG3
1.34
2
18464
143
GLU
HG3
1.343
2
18602
6
GLU
HG3
1.345
2
17287
137
GLU
HG3
1.349
2
7087
39
GLU
HG3
1.35
1
17505
13
GLU
HG3
1.355
2
5849
48
GLU
HG3
1.357
.
11108
76
GLU
HG3
1.357
1
15670
13
GLU
HG3
1.357
2
5503
76
GLU
HG3
1.36
1
15964
80
GLU
HG3
1.37
2
11350
27
GLU
HG3
1.371
2
16267
78
GLU
HG3
1.374
2
18507
26
GLU
HG3
1.378
2
5115
41
GLU
HG3
1.38
2
5866
69
GLU
HG3
1.38
2
16139
49
GLU
HG3
1.38
.
6032
119
GLU
HG3
1.38
.
16848
12
GLU
HG3
1.385
2
16818
12
GLU
HG3
1.385
2
6287
41
GLU
HG3
1.386
2
18130
25
GLU
HG3
1.389
2
5845
85
GLU
HG3
1.39
2
15327
15
GLU
HG3
1.39
2
15280
130
GLU
HG3
1.39
1
16007
42
GLU
HG3
1.4
2
6372
63
GLU
HG3
1.4
2
6904
50
GLU
HG3
1.4
1
16719
48
GLU
HG3
1.401
2
18228
136
GLU
HG3
1.401
2
18107
57
GLU
HG3
1.402
2
16840
132
GLU
HG3
1.404
2
15938
50
GLU
HG3
1.40775
2
17830
71
GLU
HG3
1.408
2
7172
72
GLU
HG3
1.412
2
11516
17
GLU
HG3
1.415
2
15762
77
GLU
HG3
1.419
2
5284
120
GLU
HG3
1.42
1
11319
53
GLU
HG3
1.43
2
5285
120
GLU
HG3
1.43
1
17258
69
GLU
HG3
1.433
2
6134
95
GLU
HG3
1.44
1
5628
120
GLU
HG3
1.44
1
16061
49
GLU
HG3
1.442
2
10270
61
GLU
HG3
1.445
2
5495
31
GLU
HG3
1.446
1
16883
114
GLU
HG3
1.448
2
15128
71
GLU
HG3
1.448
2
11061
120
GLU
HG3
1.45
2
4112
4
GLU
HG3
1.45
2
5622
6
GLU
HG3
1.45
1
6752
230
GLU
HG3
1.45
.
17551
12
GLU
HG3
1.451
2
10106
51
GLU
HG3
1.452
2
15801
37
GLU
HG3
1.454
.
16545
65
GLU
HG3
1.455
2
10278
48
GLU
HG3
1.456
1
18166
75
GLU
HG3
1.457
2
5204
36
GLU
HG3
1.46
2
16688
59
GLU
HG3
1.46
2
11229
81
GLU
HG3
1.463
2
11295
134
GLU
HG3
1.464
2
11401
51
GLU
HG3
1.465
2
15700
21
GLU
HG3
1.465
2
5973
87
GLU
HG3
1.468
.
18856
87
GLU
HG3
1.469
.
18592
77
GLU
HG3
1.47
2
5686
133
GLU
HG3
1.47
2
4902
2
GLU
HG3
1.47
1
2024
50
GLU
HG3
1.47
2
6726
73
GLU
HG3
1.47
1
17405
17
GLU
HG3
1.472
2
17280
89
GLU
HG3
1.473
2
11125
64
GLU
HG3
1.474
2
18717
86
GLU
HG3
1.474
2
18717
86
GLU
HG3
1.474
2
16642
34
GLU
HG3
1.477
2
17149
44
GLU
HG3
1.48
2
6603
20
GLU
HG3
1.482
2
18290
66
GLU
HG3
1.482
2
10068
11
GLU
HG3
1.484
1
6003
122
GLU
HG3
1.487
2
16723
27
GLU
HG3
1.488
2
6079
74
GLU
HG3
1.488
1
7123
22
GLU
HG3
1.489
1
6280
27
GLU
HG3
1.489
1
5309
102
GLU
HG3
1.49
2
17989
106
GLU
HG3
1.49
2
6781
84
GLU
HG3
1.49
1
17950
36
GLU
HG3
1.49
.
11124
19
GLU
HG3
1.491
2
10280
44
GLU
HG3
1.493
2
16722
27
GLU
HG3
1.499
2
10264
26
GLU
HG3
1.5
2
16708
31
GLU
HG3
1.5
2
7053
65
GLU
HG3
1.5
2
5570
17
GLU
HG3
1.5
4
5628
37
GLU
HG3
1.5
1
7231
35
GLU
HG3
1.502
2
16958
27
GLU
HG3
1.503
2
15845
28
GLU
HG3
1.507
2
15811
32
GLU
HG3
1.507
2
17124
12
GLU
HG3
1.509
2
17838
117
GLU
HG3
1.51
2
11333
20
GLU
HG3
1.512
2
15246
86
GLU
HG3
1.513
2
17033
40
GLU
HG3
1.519
2
4779
88
GLU
HG3
1.52
2
15452
24
GLU
HG3
1.52
1
5222
58
GLU
HG3
1.52
2
4092
86
GLU
HG3
1.52
2
17799
127
GLU
HG3
1.525
2
6631
57
GLU
HG3
1.526
2
17806
105
GLU
HG3
1.526
2
11102
134
GLU
HG3
1.529
2
7036
28
GLU
HG3
1.529
2
6055
132
GLU
HG3
1.53
1
6711
50
GLU
HG3
1.53
1
6366
49
GLU
HG3
1.53
1
18551
83
GLU
HG3
1.53
2
16029
63
GLU
HG3
1.532
2
16934
60
GLU
HG3
1.534
2
6876
24
GLU
HG3
1.535
2
6777
45
GLU
HG3
1.535
1
16083
73
GLU
HG3
1.535
2
7022
100
GLU
HG3
1.536
1
7260
88
GLU
HG3
1.536
2
15126
23
GLU
HG3
1.536
2
15585
65
GLU
HG3
1.538
2
6518
59
GLU
HG3
1.54
2
17157
12
GLU
HG3
1.54
2
16029
48
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
11005
3
GLU
HG3
1.545
2
17600
67
GLU
HG3
1.547
2
11303
116
GLU
HG3
1.548
2
11090
89
GLU
HG3
1.55
1
15263
26
GLU
HG3
1.55
2
17028
79
GLU
HG3
1.55
2
7260
43
GLU
HG3
1.551
2
6631
16
GLU
HG3
1.552
2
18669
36
GLU
HG3
1.555
1
16396
48
GLU
HG3
1.56
2
6011
44
GLU
HG3
1.56
1
5866
41
GLU
HG3
1.56
2
16796
48
GLU
HG3
1.56
2
4892
6
GLU
HG3
1.56
.
17702
48
GLU
HG3
1.56
2
5311
76
GLU
HG3
1.56
4
18292
20
GLU
HG3
1.561
2
6613
99
GLU
HG3
1.561
2
11296
116
GLU
HG3
1.565
2
17084
28
GLU
HG3
1.567
2
4714
13
GLU
HG3
1.57
1
18531
27
GLU
HG3
1.57
2
17150
93
GLU
HG3
1.571
2
18671
36
GLU
HG3
1.571
1
10253
50
GLU
HG3
1.573
2
6960
31
GLU
HG3
1.574
.
17927
56
GLU
HG3
1.576
2
18047
116
GLU
HG3
1.576
2
17494
27
GLU
HG3
1.577
2
11142
24
GLU
HG3
1.577
2
15634
18
GLU
HG3
1.577
1
17880
15
GLU
HG3
1.579
2
41
14
GLU
HG3
1.58
1
15816
101
GLU
HG3
1.58
2
4519
121
GLU
HG3
1.58
2
15038
39
GLU
HG3
1.581
2
17683
100
GLU
HG3
1.582
2
17213
28
GLU
HG3
1.583
2
15793
88
GLU
HG3
1.586
2
17300
54
GLU
HG3
1.588
2
11320
94
GLU
HG3
1.589
2
17087
28
GLU
HG3
1.589
2
17300
52
GLU
HG3
1.589
2
2575
27
GLU
HG3
1.59
1
6372
119
GLU
HG3
1.59
2
5722
64
GLU
HG3
1.59
2
5992
66
GLU
HG3
1.59
1
15645
19
GLU
HG3
1.594
2
19179
85
GLU
HG3
1.595
2
17840
27
GLU
HG3
1.596
1
17081
28
GLU
HG3
1.596
2
16440
53
GLU
HG3
1.596
2
16184
28
GLU
HG3
1.598
2
15343
92
GLU
HG3
1.598
2
15595
130
GLU
HG3
1.599
2
5544
5
GLU
HG3
1.6
.
5006
20
GLU
HG3
1.6
2
18978
115
GLU
HG3
1.6
1
5866
74
GLU
HG3
1.6
2
4574
78
GLU
HG3
1.6
1
17174
28
GLU
HG3
1.601
2
10137
139
GLU
HG3
1.601
2
17299
52
GLU
HG3
1.601
2
10072
70
GLU
HG3
1.602
2
18850
18
GLU
HG3
1.603
2
10264
90
GLU
HG3
1.604
2
16231
38
GLU
HG3
1.604
1
7326
43
GLU
HG3
1.605
.
11129
67
GLU
HG3
1.606
2
18389
43
GLU
HG3
1.606
2
16185
28
GLU
HG3
1.606
2
16746
50
GLU
HG3
1.607
2