GLU HG2 Chemical Shift Outliers

___________________________________________________
GLU HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
26450
2.270
.528
3.77
0.210


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15232
75
GLU
HG2
2.904
1
4519
47
GLU
HG2
2.907
2
18976
143
GLU
HG2
2.91
2
5770
140
GLU
HG2
2.91
2
15554
69
GLU
HG2
2.91
2
15120
38
GLU
HG2
2.916
.
18011
216
GLU
HG2
2.92
2
5946
53
GLU
HG2
2.92
1
7107
74
GLU
HG2
2.921
1
7323
41
GLU
HG2
2.921
1
6137
51
GLU
HG2
2.922
2
6807
308
GLU
HG2
2.923
1
17443
138
GLU
HG2
2.923
2
6104
137
GLU
HG2
2.924
2
5316
16
GLU
HG2
2.924
2
10038
36
GLU
HG2
2.927
2
15197
103
GLU
HG2
2.93
2
15418
72
GLU
HG2
2.93
1
19164
52
GLU
HG2
2.932
1
15927
24
GLU
HG2
2.932
1
17138
20
GLU
HG2
2.932
2
15114
16
GLU
HG2
2.933
2
6433
57
GLU
HG2
2.94
2
5480
67
GLU
HG2
2.94
2
7247
104
GLU
HG2
2.941
1
6010
15
GLU
HG2
2.943
.
11299
61
GLU
HG2
2.948
1
18253
106
GLU
HG2
2.95
1
6023
67
GLU
HG2
2.95
2
4159
18
GLU
HG2
2.959
2
4342
101
GLU
HG2
2.96
1
4288
68
GLU
HG2
2.96
2
16679
157
GLU
HG2
2.962
2
6104
67
GLU
HG2
2.962
2
5324
88
GLU
HG2
2.964
1
4891
28
GLU
HG2
2.965
2
10067
45
GLU
HG2
2.968
2
17656
106
GLU
HG2
2.97
1
15663
70
GLU
HG2
2.97
1
5232
78
GLU
HG2
2.97
2
5074
41
GLU
HG2
2.97
.
15663
3
GLU
HG2
2.97
1
15623
160
GLU
HG2
2.97
2
15851
36
GLU
HG2
2.973
2
10144
39
GLU
HG2
2.978
2
4378
26
GLU
HG2
2.98
2
17813
60
GLU
HG2
2.982
.
16679
158
GLU
HG2
2.982
2
5202
42
GLU
HG2
2.99
2
5628
140
GLU
HG2
2.99
2
16841
40
GLU
HG2
2.99
1
18473
35
GLU
HG2
2.991
2
10145
49
GLU
HG2
2.995
2
16636
23
GLU
HG2
2.998
2
15555
40
GLU
HG2
3.001
1
5324
158
GLU
HG2
3.003
2
19048
72
GLU
HG2
3.008
1
15486
48
GLU
HG2
3.01
2
15385
152
GLU
HG2
3.016
2
19047
72
GLU
HG2
3.017
1
15356
88
GLU
HG2
3.017
2
6137
8
GLU
HG2
3.018
2
1991
14
GLU
HG2
3.02
1
4336
14
GLU
HG2
3.02
2
16992
187
GLU
HG2
3.022
1
5071
68
GLU
HG2
3.024
1
17369
24
GLU
HG2
3.024
2
19047
72
GLU
HG2
3.025
1
5770
67
GLU
HG2
3.04
1
16440
140
GLU
HG2
3.041
2
16085
161
GLU
HG2
3.042
2
19048
72
GLU
HG2
3.043
1
7190
22
GLU
HG2
3.049
2
15269
68
GLU
HG2
3.055
2
16934
45
GLU
HG2
3.056
2
4159
2
GLU
HG2
3.058
1
4774
79
GLU
HG2
3.06
1
6272
120
GLU
HG2
3.06
1
4994
62
GLU
HG2
3.06
1
17717
202
GLU
HG2
3.06
2
11298
18
GLU
HG2
3.068
1
16144
56
GLU
HG2
3.07
2
16250
87
GLU
HG2
3.077
2
6380
105
GLU
HG2
3.08
1
6272
34
GLU
HG2
3.09
1
17412
104
GLU
HG2
3.091
2
11298
15
GLU
HG2
3.092
2
7247
11
GLU
HG2
3.093
1
11299
10
GLU
HG2
3.097
2
11298
46
GLU
HG2
3.104
2
6621
62
GLU
HG2
3.11
2
11299
34
GLU
HG2
3.114
2
6082
73
GLU
HG2
3.126
2
10123
87
GLU
HG2
3.127
2
6643
101
GLU
HG2
3.13
2
11299
24
GLU
HG2
3.133
2
280
29
GLU
HG2
3.14
1
5982
88
GLU
HG2
3.14
.
7271
146
GLU
HG2
3.141
1
11299
40
GLU
HG2
3.144
1
18663
132
GLU
HG2
3.148
2
6211
98
GLU
HG2
3.15
2
18389
101
GLU
HG2
3.15
2
6499
1
GLU
HG2
3.15
2
16567
26
GLU
HG2
3.152
2
11301
17
GLU
HG2
3.156
2
5748
18
GLU
HG2
3.16
1
17261
8
GLU
HG2
3.17
2
11298
17
GLU
HG2
3.172
1
4821
145
GLU
HG2
3.173
1
18939
32
GLU
HG2
3.192
2
4010
101
GLU
HG2
3.2
2
5346
5
GLU
HG2
3.2
1
5678
73
GLU
HG2
3.21
1
5798
60
GLU
HG2
3.22
1
18878
88
GLU
HG2
3.225
2
16473
39
GLU
HG2
3.23
2
15740
28
GLU
HG2
3.233
1
5887
42
GLU
HG2
3.24
2
18133
128
GLU
HG2
3.242
2
15247
70
GLU
HG2
3.244
2
6807
281
GLU
HG2
3.259
1
4455
72
GLU
HG2
3.26
2
17561
81
GLU
HG2
3.266
.
5121
11
GLU
HG2
3.273
2
4297
11
GLU
HG2
3.29
2
5122
10
GLU
HG2
3.294
2
11298
45
GLU
HG2
3.302
2
11298
25
GLU
HG2
3.311
2
17633
54
GLU
HG2
3.316
2
15595
75
GLU
HG2
3.362
2
5105
62
GLU
HG2
3.37
2
5973
19
GLU
HG2
3.51
.
4159
38
GLU
HG2
3.684
1
16653
87
GLU
HG2
3.686
2
16864
38
GLU
HG2
3.74
.
6433
35
GLU
HG2
3.77
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16883
114
GLU
HG2
.528
2
6777
45
GLU
HG2
.572
1
16139
49
GLU
HG2
.58
.
6261
40
GLU
HG2
.62
2
11321
43
GLU
HG2
.661
2
18156
17
GLU
HG2
.69
2
7209
80
GLU
HG2
.702
2
7189
19
GLU
HG2
.746
2
5284
120
GLU
HG2
.75
1
17830
77
GLU
HG2
.75
2
5115
41
GLU
HG2
.75
2
5285
120
GLU
HG2
.76
1
16350
22
GLU
HG2
.788
1
6287
41
GLU
HG2
.825
2
16662
55
GLU
HG2
.828
2
16665
55
GLU
HG2
.839
2
15816
101
GLU
HG2
.84
2
11124
19
GLU
HG2
.84
2
5594
48
GLU
HG2
.84
2
4122
39
GLU
HG2
.85
2
11061
120
GLU
HG2
.859
2
17831
77
GLU
HG2
.863
1
17238
11
GLU
HG2
.885
2
5912
62
GLU
HG2
.888
2
16883
15
GLU
HG2
.908
2
5221
126
GLU
HG2
.915
2
16846
84
GLU
HG2
.929
.
17524
65
GLU
HG2
.963
2
16681
48
GLU
HG2
.98
2
6093
108
GLU
HG2
.981
1
18732
3
GLU
HG2
.993
1
15128
71
GLU
HG2
1.024
2
17557
6
GLU
HG2
1.038
.
16642
34
GLU
HG2
1.043
2
5061
87
GLU
HG2
1.09
2
1071
38
GLU
HG2
1.1
1
5973
87
GLU
HG2
1.11
.
15627
67
GLU
HG2
1.135
2
18215
129
GLU
HG2
1.135
2
4878
35
GLU
HG2
1.14
2
11102
134
GLU
HG2
1.146
2
16708
31
GLU
HG2
1.15
2
11333
47
GLU
HG2
1.152
2
11401
51
GLU
HG2
1.16
2
6518
59
GLU
HG2
1.16
2
11088
44
GLU
HG2
1.161
2
15752
31
GLU
HG2
1.191
.
17681
7
GLU
HG2
1.194
2
5933
34
GLU
HG2
1.2
1
15127
21
GLU
HG2
1.21
2
15127
21
GLU
HG2
1.21
2
15383
107
GLU
HG2
1.211
2
10119
66
GLU
HG2
1.221
2
17880
90
GLU
HG2
1.222
2
10131
24
GLU
HG2
1.235
2
11330
101
GLU
HG2
1.238
2
5765
14
GLU
HG2
1.25
2
11229
81
GLU
HG2
1.257
2
6611
38
GLU
HG2
1.26
2
17505
30
GLU
HG2
1.264
2
11319
53
GLU
HG2
1.264
2
17683
100
GLU
HG2
1.265
2
17505
13
GLU
HG2
1.266
2
10036
18
GLU
HG2
1.266
2
16317
122
GLU
HG2
1.267
2
16647
44
GLU
HG2
1.27
2
11101
15
GLU
HG2
1.274
2
16061
49
GLU
HG2
1.279
2
5758
60
GLU
HG2
1.28
2
10213
40
GLU
HG2
1.281
2
6790
51
GLU
HG2
1.288
2
15240
109
GLU
HG2
1.289
2
6447
81
GLU
HG2
1.29
2
18856
11
GLU
HG2
1.305
.
7119
118
GLU
HG2
1.31
1
11179
37
GLU
HG2
1.312
2
17239
11
GLU
HG2
1.317
2
17960
50
GLU
HG2
1.326
2
11160
17
GLU
HG2
1.327
2
18917
76
GLU
HG2
1.327
2
7223
50
GLU
HG2
1.33
2
5598
76
GLU
HG2
1.33
.
6613
99
GLU
HG2
1.332
2
5755
15
GLU
HG2
1.336
1
16578
122
GLU
HG2
1.337
2
5845
85
GLU
HG2
1.34
2
6631
57
GLU
HG2
1.344
2
17830
71
GLU
HG2
1.346
2
7118
6
GLU
HG2
1.347
.
6366
32
GLU
HG2
1.35
2
4973
39
GLU
HG2
1.35
2
6134
95
GLU
HG2
1.35
1
7087
39
GLU
HG2
1.35
1
11138
71
GLU
HG2
1.35
2
15670
13
GLU
HG2
1.357
2
11108
76
GLU
HG2
1.357
1
5503
76
GLU
HG2
1.36
1
6003
122
GLU
HG2
1.36
2
16439
15
GLU
HG2
1.365
2
6724
45
GLU
HG2
1.366
.
5904
99
GLU
HG2
1.37
2
15327
15
GLU
HG2
1.37
2
7193
34
GLU
HG2
1.372
2
5722
64
GLU
HG2
1.38
2
11057
46
GLU
HG2
1.39
1
18107
57
GLU
HG2
1.4
2
5764
51
GLU
HG2
1.4
2
18228
136
GLU
HG2
1.401
2
18599
78
GLU
HG2
1.405
2
11184
80
GLU
HG2
1.405
2
18292
20
GLU
HG2
1.408
2
10254
18
GLU
HG2
1.411
2
6635
4
GLU
HG2
1.421
2
2249
51
GLU
HG2
1.43
2
15989
70
GLU
HG2
1.436
2
18663
99
GLU
HG2
1.438
2
5628
120
GLU
HG2
1.44
1
4407
58
GLU
HG2
1.44
2
10253
111
GLU
HG2
1.442
2
17783
46
GLU
HG2
1.443
2
6882
10
GLU
HG2
1.446
2
5598
21
GLU
HG2
1.45
.
16905
66
GLU
HG2
1.45
2
5622
6
GLU
HG2
1.45
1
15801
37
GLU
HG2
1.454
.
16120
99
GLU
HG2
1.454
2
17525
36
GLU
HG2
1.455
2
10278
48
GLU
HG2
1.456
1
15700
21
GLU
HG2
1.465
2
15578
346
GLU
HG2
1.465
2
18086
45
GLU
HG2
1.466
2
4902
2
GLU
HG2
1.47
1
15431
78
GLU
HG2
1.47
1
6188
59
GLU
HG2
1.47
2
6726
73
GLU
HG2
1.47
1
10320
105
GLU
HG2
1.473
2
6433
21
GLU
HG2
1.48
2
5928
49
GLU
HG2
1.48
2
5205
3
GLU
HG2
1.482
.
10068
11
GLU
HG2
1.484
1
6280
27
GLU
HG2
1.489
1
7123
22
GLU
HG2
1.489
1
16857
27
GLU
HG2
1.49
2
11138
45
GLU
HG2
1.492
2
10270
61
GLU
HG2
1.496
2
5628
37
GLU
HG2
1.5
1
5595
130
GLU
HG2
1.5
2
7266
83
GLU
HG2
1.5
1
17169
37
GLU
HG2
1.502
2
16958
27
GLU
HG2
1.503
2
5849
48
GLU
HG2
1.504
.
7034
77
GLU
HG2
1.506
.
11040
33
GLU
HG2
1.507
2
6936
77
GLU
HG2
1.509
2
17838
117
GLU
HG2
1.51
2
16689
24
GLU
HG2
1.512
2
7172
137
GLU
HG2
1.512
2
11096
96
GLU
HG2
1.515
2
18824
28
GLU
HG2
1.517
2
7286
127
GLU
HG2
1.517
2
16620
47
GLU
HG2
1.519
2
17799
127
GLU
HG2
1.525
2
17287
137
GLU
HG2
1.526
2
16260
38
GLU
HG2
1.526
2
17806
105
GLU
HG2
1.526
2
7172
72
GLU
HG2
1.526
2
6724
87
GLU
HG2
1.526
.
11080
87
GLU
HG2
1.527
2
6287
82
GLU
HG2
1.527
2
10006
59
GLU
HG2
1.528
2
6366
49
GLU
HG2
1.53
1
6120
107
GLU
HG2
1.53
2
16688
59
GLU
HG2
1.53
2
6055
132
GLU
HG2
1.53
1
6364
67
GLU
HG2
1.53
2
6711
50
GLU
HG2
1.53
1
11136
45
GLU
HG2
1.531
2
17879
98
GLU
HG2
1.532
2
16029
63
GLU
HG2
1.532
2
11084
19
GLU
HG2
1.536
2
7022
100
GLU
HG2
1.536
1
16997
103
GLU
HG2
1.539
2
5329
49
GLU
HG2
1.54
2
18317
39
GLU
HG2
1.54
1
6126
90
GLU
HG2
1.54
2
5391
74
GLU
HG2
1.54
.
7260
88
GLU
HG2
1.54
2
18839
42
GLU
HG2
1.54
1
15469
110
GLU
HG2
1.542
2
6746
67
GLU
HG2
1.545
2
15618
96
GLU
HG2
1.546
2
5845
19
GLU
HG2
1.55
2
11090
89
GLU
HG2
1.55
1
11333
20
GLU
HG2
1.552
2
16613
96
GLU
HG2
1.555
2
18398
49
GLU
HG2
1.557
2
17600
64
GLU
HG2
1.557
2
11254
22
GLU
HG2
1.557
2
17579
36
GLU
HG2
1.558
2
11081
31
GLU
HG2
1.559
2
17702
48
GLU
HG2
1.56
2
7192
49
GLU
HG2
1.56
2
5311
76
GLU
HG2
1.56
4
16396
48
GLU
HG2
1.56
2
16796
48
GLU
HG2
1.56
2
6011
44
GLU
HG2
1.56
1
7260
43
GLU
HG2
1.561
2
11146
67
GLU
HG2
1.566
2
6280
99
GLU
HG2
1.568
2
6936
79
GLU
HG2
1.569
2
15683
62
GLU
HG2
1.57
2
4714
13
GLU
HG2
1.57
1
18531
27
GLU
HG2
1.57
2
1639
32
GLU
HG2
1.57
2
15702
23
GLU
HG2
1.57
2
16818
12
GLU
HG2
1.571
2
16848
12
GLU
HG2
1.571
2
18166
75
GLU
HG2
1.575
2
18850
18
GLU
HG2
1.575
2
11137
45
GLU
HG2
1.577
2
15634
18
GLU
HG2
1.577
1
5225
14
GLU
HG2
1.58
2
5873
74
GLU
HG2
1.58
2
16536
51
GLU
HG2
1.58
2
6781
84
GLU
HG2
1.58
1
41
14
GLU
HG2
1.58
1
11264
42
GLU
HG2
1.583
2
11153
40
GLU
HG2
1.584
2
7243
39
GLU
HG2
1.585
2
7231
35
GLU
HG2
1.589
2
2575
27
GLU
HG2
1.59
1
5992
66
GLU
HG2
1.59
1
17124
12
GLU
HG2
1.591
2
11330
65
GLU
HG2
1.592
2
5623
20
GLU
HG2
1.593
2
6766
131
GLU
HG2
1.593
1
11186
74
GLU
HG2
1.594
2
11516
17
GLU
HG2
1.594
2
11094
95
GLU
HG2
1.595
2
17840
27
GLU
HG2
1.596
1
11457
39
GLU
HG2
1.599
2
15595
130
GLU
HG2
1.599
2
4686
38
GLU
HG2
1.6
2
7086
62
GLU
HG2
1.6
2
5544
5
GLU
HG2
1.6
.
18978
115
GLU
HG2
1.6
1
4574
78
GLU
HG2
1.6
1
4884
58
GLU
HG2
1.6
2
15952
118
GLU
HG2
1.601
.
17258
69
GLU
HG2
1.604
2
16746
50
GLU
HG2
1.607
2
16384
86
GLU
HG2
1.61
2
16029
48
GLU
HG2
1.611
2
16373
10
GLU
HG2
1.612
2
19203
79
GLU
HG2
1.613
2
11308
87
GLU
HG2
1.614
2
4460
85
GLU
HG2
1.617
2
5100
94
GLU
HG2
1.62
1
5151
28
GLU
HG2
1.62
1
5058
99
GLU
HG2
1.62
2
15327
20
GLU
HG2
1.62
2
10264
26
GLU
HG2
1.622
2
6600
31
GLU
HG2
1.622
2
18507
26
GLU
HG2
1.622
2
16444
27
GLU
HG2
1.623
1
16934
60
GLU
HG2
1.625
2
16520
85
GLU
HG2
1.625
2
16515
66
GLU
HG2
1.625
2
10253
50
GLU
HG2
1.626
2
10106
51
GLU
HG2
1.626
2
10161
61
GLU
HG2
1.626
2
17841
27
GLU
HG2
1.627
1
16882
27
GLU
HG2
1.629
1
5127
11
GLU
HG2
1.629
2
6332
136
GLU
HG2
1.629
2
4990
36
GLU
HG2
1.63
1
6202
175
GLU
HG2
1.63
2
916
46
GLU
HG2
1.63
1
5204
36
GLU
HG2
1.63
2
16413
30
GLU
HG2
1.632
1
17879
9
GLU
HG2
1.633
2
15722
15
GLU
HG2
1.633
2
5686
133
GLU
HG2
1.633
2
6603
20
GLU
HG2
1.633
2
17822
13
GLU
HG2
1.635
2
5495
31
GLU
HG2
1.636
1