GLU HG2 Chemical Shift Outliers

___________________________________________________
GLU HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13347
2.282
.572
3.77
0.217


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10027
20
GLU
HG2
2.936
1
6433
57
GLU
HG2
2.94
2
4215
46
GLU
HG2
2.94
1
5480
67
GLU
HG2
2.94
2
6010
15
GLU
HG2
2.943
.
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
6104
67
GLU
HG2
2.962
2
5324
88
GLU
HG2
2.964
1
4891
28
GLU
HG2
2.965
2
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
5074
41
GLU
HG2
2.97
.
6081
150
GLU
HG2
2.972
1
4378
26
GLU
HG2
2.98
2
5202
42
GLU
HG2
2.99
2
5628
140
GLU
HG2
2.99
2
5324
158
GLU
HG2
3.003
2
15486
48
GLU
HG2
3.01
2
15385
152
GLU
HG2
3.016
2
15356
88
GLU
HG2
3.017
2
6137
8
GLU
HG2
3.018
2
4336
14
GLU
HG2
3.02
2
1991
14
GLU
HG2
3.02
1
5071
68
GLU
HG2
3.024
1
4265
25
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
15269
68
GLU
HG2
3.055
2
4159
2
GLU
HG2
3.058
1
6743
54
GLU
HG2
3.06
1
6272
120
GLU
HG2
3.06
1
4994
62
GLU
HG2
3.06
1
4774
79
GLU
HG2
3.06
1
15276
86
GLU
HG2
3.07
2
6374
66
GLU
HG2
3.075
.
6380
105
GLU
HG2
3.08
1
5276
50
GLU
HG2
3.08
2
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
6643
101
GLU
HG2
3.13
2
280
29
GLU
HG2
3.14
1
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
5748
18
GLU
HG2
3.16
1
4821
145
GLU
HG2
3.173
1
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
5887
42
GLU
HG2
3.24
2
15247
70
GLU
HG2
3.244
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
5973
19
GLU
HG2
3.51
.
4159
38
GLU
HG2
3.684
1
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
6777
45
GLU
HG2
.572
1
6261
40
GLU
HG2
.62
2
6081
60
GLU
HG2
.7
1
7209
80
GLU
HG2
.702
2
7189
19
GLU
HG2
.746
2
5115
41
GLU
HG2
.75
2
5284
120
GLU
HG2
.75
1
5285
120
GLU
HG2
.76
1
6225
10
GLU
HG2
.84
2
5594
48
GLU
HG2
.84
2
4122
39
GLU
HG2
.85
2
5912
62
GLU
HG2
.888
2
5221
126
GLU
HG2
.915
2
6093
108
GLU
HG2
.981
1
5683
19
GLU
HG2
.983
.
15128
71
GLU
HG2
1.024
2
5061
87
GLU
HG2
1.09
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
4878
35
GLU
HG2
1.14
2
5213
2
GLU
HG2
1.14
1
6518
59
GLU
HG2
1.16
2
5094
112
GLU
HG2
1.18
.
5933
34
GLU
HG2
1.2
1
7351
109
GLU
HG2
1.202
2
15127
21
GLU
HG2
1.21
2
15127
21
GLU
HG2
1.21
2
15383
107
GLU
HG2
1.211
2
15193
81
GLU
HG2
1.22
2
7274
31
GLU
HG2
1.236
2
6962
51
GLU
HG2
1.243
2
5765
14
GLU
HG2
1.25
2
15468
9
GLU
HG2
1.25
2
6821
49
GLU
HG2
1.259
.
6611
38
GLU
HG2
1.26
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
7119
118
GLU
HG2
1.31
1
5875
27
GLU
HG2
1.3155
2
5388
44
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
.
6134
95
GLU
HG2
1.35
1
6366
32
GLU
HG2
1.35
2
7087
39
GLU
HG2
1.35
1
6003
122
GLU
HG2
1.36
2
5503
76
GLU
HG2
1.36
1
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
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
15347
40
GLU
HG2
1.42
2
6635
4
GLU
HG2
1.421
2
2249
51
GLU
HG2
1.43
2
7032
73
GLU
HG2
1.44
2
4407
58
GLU
HG2
1.44
2
5628
120
GLU
HG2
1.44
1
6882
10
GLU
HG2
1.446
2
5598
21
GLU
HG2
1.45
.
5622
6
GLU
HG2
1.45
1
5010
93
GLU
HG2
1.46
2
6658
25
GLU
HG2
1.464
2
15431
78
GLU
HG2
1.47
1
4902
2
GLU
HG2
1.47
1
6726
73
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
5205
3
GLU
HG2
1.482
.
6280
27
GLU
HG2
1.489
1
7123
22
GLU
HG2
1.489
1
6365
68
GLU
HG2
1.49
1
7266
83
GLU
HG2
1.5
1
6071
119
GLU
HG2
1.5
1
5628
37
GLU
HG2
1.5
1
5595
130
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
7172
137
GLU
HG2
1.512
2
7286
127
GLU
HG2
1.517
2
7172
72
GLU
HG2
1.526
2
6724
87
GLU
HG2
1.526
.
10006
59
GLU
HG2
1.528
2
6120
107
GLU
HG2
1.53
2
6366
49
GLU
HG2
1.53
1
6055
132
GLU
HG2
1.53
1
6464
25
GLU
HG2
1.53
2
6364
67
GLU
HG2
1.53
2
6711
50
GLU
HG2
1.53
1
7022
100
GLU
HG2
1.536
1
5391
74
GLU
HG2
1.54
.
6126
90
GLU
HG2
1.54
2
5329
49
GLU
HG2
1.54
2
7260
88
GLU
HG2
1.54
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
.
6011
44
GLU
HG2
1.56
1
5311
76
GLU
HG2
1.56
4
7192
49
GLU
HG2
1.56
2
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
4714
13
GLU
HG2
1.57
1
15683
62
GLU
HG2
1.57
2
41
14
GLU
HG2
1.58
1
5225
14
GLU
HG2
1.58
2
5873
74
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
4880
5
GLU
HG2
1.59
2
2575
27
GLU
HG2
1.59
1
6766
131
GLU
HG2
1.593
1
5623
20
GLU
HG2
1.593
2
15595
130
GLU
HG2
1.599
2
4574
78
GLU
HG2
1.6
1
7086
62
GLU
HG2
1.6
2
4686
38
GLU
HG2
1.6
2
4884
58
GLU
HG2
1.6
2
5544
5
GLU
HG2
1.6
.
5483
42
GLU
HG2
1.602
2
5630
57
GLU
HG2
1.61
2
4460
85
GLU
HG2
1.617
2
5100
94
GLU
HG2
1.62
1
5058
99
GLU
HG2
1.62
2
5151
28
GLU
HG2
1.62
1
15327
20
GLU
HG2
1.62
2
6600
31
GLU
HG2
1.622
2
6398
96
GLU
HG2
1.627
2
6332
136
GLU
HG2
1.629
2
5127
11
GLU
HG2
1.629
2
916
46
GLU
HG2
1.63
1
4990
36
GLU
HG2
1.63
1
5204
36
GLU
HG2
1.63
2
6914
51
GLU
HG2
1.63
.
6045
95
GLU
HG2
1.63
2
6202
175
GLU
HG2
1.63
2