GLU HG2 Chemical Shift Outliers

___________________________________________________
GLU HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
17795
2.278
0
4.69
0.228


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4891
28
GLU
HG2
2.965
2
5074
41
GLU
HG2
2.97
.
15663
70
GLU
HG2
2.97
1
15623
160
GLU
HG2
2.97
2
15663
3
GLU
HG2
2.97
1
5232
78
GLU
HG2
2.97
2
6081
150
GLU
HG2
2.972
1
5907
38
GLU
HG2
2.98
1
4378
26
GLU
HG2
2.98
2
5202
42
GLU
HG2
2.99
2
5628
140
GLU
HG2
2.99
2
5352
167
GLU
HG2
2.99
2
5324
158
GLU
HG2
3.003
2
1719
66
GLU
HG2
3.01
1
15486
48
GLU
HG2
3.01
2
15388
152
GLU
HG2
3.016
2
15385
152
GLU
HG2
3.016
2
15356
88
GLU
HG2
3.017
2
6137
8
GLU
HG2
3.018
2
346
66
GLU
HG2
3.02
1
1991
14
GLU
HG2
3.02
1
4336
14
GLU
HG2
3.02
2
5071
68
GLU
HG2
3.024
1
4115
41
GLU
HG2
3.03
1
5745
52
GLU
HG2
3.04
2
4265
25
GLU
HG2
3.04
2
5091
56
GLU
HG2
3.04
2
5770
67
GLU
HG2
3.04
1
7190
22
GLU
HG2
3.049
2
4116
41
GLU
HG2
3.05
1
5745
63
GLU
HG2
3.05
2
15091
202
GLU
HG2
3.052
2
15269
68
GLU
HG2
3.055
2
4159
2
GLU
HG2
3.058
1
4774
79
GLU
HG2
3.06
1
6272
120
GLU
HG2
3.06
1
6743
54
GLU
HG2
3.06
1
4994
62
GLU
HG2
3.06
1
15400
152
GLU
HG2
3.06
2
15276
86
GLU
HG2
3.07
2
6374
66
GLU
HG2
3.075
.
5276
50
GLU
HG2
3.08
2
6380
105
GLU
HG2
3.08
1
4056
67
GLU
HG2
3.08
2
4224
78
GLU
HG2
3.08
1
6272
34
GLU
HG2
3.09
1
5461
22
GLU
HG2
3.103
2
5461
22
GLU
HG2
3.103
2
6621
62
GLU
HG2
3.11
2
6082
73
GLU
HG2
3.126
2
10123
87
GLU
HG2
3.127
2
6643
101
GLU
HG2
3.13
2
4056
47
GLU
HG2
3.14
1
280
29
GLU
HG2
3.14
1
4602
59
GLU
HG2
3.14
9
5982
88
GLU
HG2
3.14
.
7271
146
GLU
HG2
3.141
1
6211
98
GLU
HG2
3.15
2
6499
1
GLU
HG2
3.15
2
4713
10
GLU
HG2
3.16
1
5748
18
GLU
HG2
3.16
1
4821
145
GLU
HG2
3.173
1
5346
5
GLU
HG2
3.2
1
4010
101
GLU
HG2
3.2
2
5678
73
GLU
HG2
3.21
1
5798
60
GLU
HG2
3.22
1
5887
42
GLU
HG2
3.24
2
15247
70
GLU
HG2
3.244
2
6807
281
GLU
HG2
3.259
1
4130
10
GLU
HG2
3.26
.
4131
10
GLU
HG2
3.26
.
5054
64
GLU
HG2
3.26
2
4455
72
GLU
HG2
3.26
2
5121
11
GLU
HG2
3.273
2
4297
11
GLU
HG2
3.29
2
5122
10
GLU
HG2
3.294
2
15595
75
GLU
HG2
3.362
2
5105
62
GLU
HG2
3.37
2
4127
126
GLU
HG2
3.38
2
6554
11
GLU
HG2
3.431
2
5973
19
GLU
HG2
3.51
.
6634
41
GLU
HG2
3.61
2
5625
41
GLU
HG2
3.67
2
4159
38
GLU
HG2
3.684
1
5304
35
GLU
HG2
3.76
2
6433
35
GLU
HG2
3.77
2
5937
12
GLU
HG2
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
7007
91
GLU
HG2
.205
2
376
63
GLU
HG2
.3
2
1379
63
GLU
HG2
.31
2
6777
45
GLU
HG2
.572
1
5333
41
GLU
HG2
.6
2
6261
40
GLU
HG2
.62
2
6081
60
GLU
HG2
.7
1
7209
80
GLU
HG2
.702
2
6035
80
GLU
HG2
.71
2
7189
19
GLU
HG2
.746
2
5284
120
GLU
HG2
.75
1
5115
41
GLU
HG2
.75
2
5285
120
GLU
HG2
.76
1
6546
157
GLU
HG2
.82
2
6287
41
GLU
HG2
.825
2
15816
101
GLU
HG2
.84
2
6225
10
GLU
HG2
.84
2
5594
48
GLU
HG2
.84
2
4122
39
GLU
HG2
.85
2
5399
45
GLU
HG2
.87
2
5912
62
GLU
HG2
.888
2
5221
126
GLU
HG2
.915
2
7121
169
GLU
HG2
.96
2
6035
49
GLU
HG2
.97
2
6093
108
GLU
HG2
.981
1
5683
19
GLU
HG2
.983
.
7080
32
GLU
HG2
0
2
5907
25
GLU
HG2
0
1
5172
59
GLU
HG2
1
2
4205
59
GLU
HG2
1
2
15128
71
GLU
HG2
1.024
2
4679
120
GLU
HG2
1.04
.
6860
62
GLU
HG2
1.047
2
6519
49
GLU
HG2
1.056
2
5352
94
GLU
HG2
1.08
2
4590
18
GLU
HG2
1.09
2
5061
87
GLU
HG2
1.09
2
6873
250
GLU
HG2
1.097
2
5181
118
GLU
HG2
1.1
2
1071
38
GLU
HG2
1.1
1
10027
76
GLU
HG2
1.103
1
5973
87
GLU
HG2
1.11
.
15627
67
GLU
HG2
1.135
2
5213
2
GLU
HG2
1.14
1
4878
35
GLU
HG2
1.14
2
4633
22
GLU
HG2
1.15
.
4633
23
GLU
HG2
1.15
.
6518
59
GLU
HG2
1.16
2
5083
75
GLU
HG2
1.16
1
6337
81
GLU
HG2
1.164
2
5094
112
GLU
HG2
1.18
.
5933
34
GLU
HG2
1.2
1
7351
109
GLU
HG2
1.202
2
15007
5
GLU
HG2
1.21
1
15127
21
GLU
HG2
1.21
2
15127
21
GLU
HG2
1.21
2
15383
107
GLU
HG2
1.211
2
287
51
GLU
HG2
1.22
2
15193
81
GLU
HG2
1.22
2
6938
76
GLU
HG2
1.23
2
7274
31
GLU
HG2
1.236
2
6962
51
GLU
HG2
1.243
2
15468
9
GLU
HG2
1.25
2
5765
14
GLU
HG2
1.25
2
6821
49
GLU
HG2
1.259
.
126
73
GLU
HG2
1.26
2
6611
38
GLU
HG2
1.26
2
15540
45
GLU
HG2
1.276
2
5758
60
GLU
HG2
1.28
2
6790
51
GLU
HG2
1.288
2
15240
109
GLU
HG2
1.289
2
6447
81
GLU
HG2
1.29
2
4251
43
GLU
HG2
1.29
2
7165
79
GLU
HG2
1.306
1
7119
118
GLU
HG2
1.31
1
4252
43
GLU
HG2
1.31
2
5875
27
GLU
HG2
1.3155
2
5388
44
GLU
HG2
1.32
2
6581
55
GLU
HG2
1.32
2
5598
76
GLU
HG2
1.33
.
6613
99
GLU
HG2
1.332
2
5755
15
GLU
HG2
1.336
1
5845
85
GLU
HG2
1.34
2
6631
57
GLU
HG2
1.344
2
7118
6
GLU
HG2
1.347
.
6366
32
GLU
HG2
1.35
2
6134
95
GLU
HG2
1.35
1
7087
39
GLU
HG2
1.35
1
6003
122
GLU
HG2
1.36
2
4027
17
GLU
HG2
1.36
2
5503
76
GLU
HG2
1.36
1
5401
37
GLU
HG2
1.36
2
4231
27
GLU
HG2
1.361
.
4229
27
GLU
HG2
1.361
2
6724
45
GLU
HG2
1.366
.
4302
27
GLU
HG2
1.37
1
5904
99
GLU
HG2
1.37
2
15327
15
GLU
HG2
1.37
2
7193
34
GLU
HG2
1.372
2
6456
40
GLU
HG2
1.38
2
5722
64
GLU
HG2
1.38
2
5013
16
GLU
HG2
1.394
2
5764
51
GLU
HG2
1.4
2
7299
2
GLU
HG2
1.41
2
6605
50
GLU
HG2
1.41
.
15347
40
GLU
HG2
1.42
2
4985
107
GLU
HG2
1.42
2
6635
4
GLU
HG2
1.421
2
7414
174
GLU
HG2
1.426
2
15509
35
GLU
HG2
1.43
2
1393
29
GLU
HG2
1.43
1
1394
29
GLU
HG2
1.43
1
2249
51
GLU
HG2
1.43
2
15086
91
GLU
HG2
1.431
2
6444
115
GLU
HG2
1.432
.
6938
83
GLU
HG2
1.44
2
7032
73
GLU
HG2
1.44
2
5628
120
GLU
HG2
1.44
1
4407
58
GLU
HG2
1.44
2
6882
10
GLU
HG2
1.446
2
4229
63
GLU
HG2
1.45
2
15560
78
GLU
HG2
1.45
2
5598
21
GLU
HG2
1.45
.
1394
55
GLU
HG2
1.45
1
4231
63
GLU
HG2
1.45
.
1393
55
GLU
HG2
1.45
1
5622
6
GLU
HG2
1.45
1
5010
93
GLU
HG2
1.46
2
6658
25
GLU
HG2
1.464
2
15578
346
GLU
HG2
1.465
2
1394
12
GLU
HG2
1.47
1
15431
78
GLU
HG2
1.47
1
4588
48
GLU
HG2
1.47
2
6188
59
GLU
HG2
1.47
2
4902
2
GLU
HG2
1.47
1
6726
73
GLU
HG2
1.47
1
4742
48
GLU
HG2
1.47
2
329
12
GLU
HG2
1.47
1
6213
39
GLU
HG2
1.473
2
6433
21
GLU
HG2
1.48
2
5928
49
GLU
HG2
1.48
2
5631
4
GLU
HG2
1.48
2
4837
108
GLU
HG2
1.48
2
5205
3
GLU
HG2
1.482
.
15083
19
GLU
HG2
1.483
2
7123
22
GLU
HG2
1.489
1
6280
27
GLU
HG2
1.489
1
4984
50
GLU
HG2
1.49
2
7280
29
GLU
HG2
1.49
1
6365
68
GLU
HG2
1.49
1
6071
119
GLU
HG2
1.5
1
5595
130
GLU
HG2
1.5
2
5628
37
GLU
HG2
1.5
1
7266
83
GLU
HG2
1.5
1
5401
78
GLU
HG2
1.5
2
6382
78
GLU
HG2
1.5
1
6810
80
GLU
HG2
1.5
2
4231
63
GLU
HG2
1.5
.
4229
63
GLU
HG2
1.5
2
5849
48
GLU
HG2
1.504
.
7034
77
GLU
HG2
1.506
.
6936
77
GLU
HG2
1.509
2
5010
108
GLU
HG2
1.51
2
7291
13
GLU
HG2
1.51
1
6565
103
GLU
HG2
1.51
2
7172
137
GLU
HG2
1.512
2
7286
127
GLU
HG2
1.517
2
6724
87
GLU
HG2
1.526
.
7172
72
GLU
HG2
1.526
2
6287
82
GLU
HG2
1.527
2
10006
59
GLU
HG2
1.528
2
6464
25
GLU
HG2
1.53
2
6364
67
GLU
HG2
1.53
2
6711
50
GLU
HG2
1.53
1
6055
132
GLU
HG2
1.53
1
6120
107
GLU
HG2
1.53
2
6366
49
GLU
HG2
1.53
1
7022
100
GLU
HG2
1.536
1
5391
74
GLU
HG2
1.54
.
5329
49
GLU
HG2
1.54
2
6126
90
GLU
HG2
1.54
2
5392
11
GLU
HG2
1.54
1
5179
56
GLU
HG2
1.54
.
7260
88
GLU
HG2
1.54
2
7021
176
GLU
HG2
1.541
2
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
7351
73
GLU
HG2
1.552
2
5683
84
GLU
HG2
1.553
.
7192
49
GLU
HG2
1.56
2
6011
44
GLU
HG2
1.56
1
5311
76
GLU
HG2
1.56
4
7260
43
GLU
HG2
1.561
2
6280
99
GLU
HG2
1.568
2
6936
79
GLU
HG2
1.569
2
1639
32
GLU
HG2
1.57
2
15683
62
GLU
HG2
1.57
2
4714
13
GLU
HG2
1.57
1
4845
11
GLU
HG2
1.573
1
5873
74
GLU
HG2
1.58
2
41
14
GLU
HG2
1.58
1
5225
14
GLU
HG2
1.58
2
6781
84
GLU
HG2
1.58
1
7243
39
GLU
HG2
1.585
2
7231
35
GLU
HG2
1.589
2
5992
66
GLU
HG2
1.59
1
2575
27
GLU
HG2
1.59
1
4880
5
GLU
HG2
1.59
2