GLU H Chemical Shift Outliers

___________________________________________________
GLU H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
82133
8.330
.008
122.9
0.757


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
34225
11
GLU
H
10.608
1
18982
29
GLU
H
10.608
1
16176
48
GLU
H
10.609
1
274
61
GLU
H
10.61
1
16085
83
GLU
H
10.615
1
7231
143
GLU
H
10.618
1
18798
127
GLU
H
10.619
1
1869
26
GLU
H
10.62
1
17953
146
GLU
H
10.62
1
1870
8
GLU
H
10.62
1
6807
130
GLU
H
10.621
1
18828
69
GLU
H
10.624
1
18799
127
GLU
H
10.625
1
436
61
GLU
H
10.63
1
1071
38
GLU
H
10.63
1
5748
18
GLU
H
10.64
1
4225
9
GLU
H
10.64
1
4428
30
GLU
H
10.64
.
5830
61
GLU
H
10.64
1
26742
89
GLU
H
10.65
.
5983
176
GLU
H
10.65
1
11506
305
GLU
H
10.652
1
6003
122
GLU
H
10.654
1
15595
61
GLU
H
10.659
1
19615
158
GLU
H
10.66
1
17848
61
GLU
H
10.66
1
18800
127
GLU
H
10.664
1
16480
67
GLU
H
10.666
1
19742
158
GLU
H
10.667
1
19744
158
GLU
H
10.667
1
19616
158
GLU
H
10.668
1
7175
63
GLU
H
10.67
1
7271
52
GLU
H
10.67
1
5827
61
GLU
H
10.67
1
15935
102
GLU
H
10.677
1
19743
158
GLU
H
10.678
1
6416
495
GLU
H
10.68
.
15642
19
GLU
H
10.69
1
6604
35
GLU
H
10.693
1
30159
101
GLU
H
10.694
1
5393
26
GLU
H
10.698
1
17368
43
GLU
H
10.7
1
6074
165
GLU
H
10.702
1
18154
134
GLU
H
10.707
1
19151
134
GLU
H
10.707
.
17640
74
GLU
H
10.71
1
1171
61
GLU
H
10.71
1
4926
6
GLU
H
10.71
1
15066
97
GLU
H
10.71
1
4577
150
GLU
H
10.71
1
25766
159
GLU
H
10.713
1
5408
28
GLU
H
10.715
1
4987
44
GLU
H
10.72
1
26532
172
GLU
H
10.729
1
4974
7
GLU
H
10.733
1
16039
75
GLU
H
10.736
1
7014
102
GLU
H
10.739
1
17848
61
GLU
H
10.74
1
437
61
GLU
H
10.74
1
15257
46
GLU
H
10.74
1
19288
17
GLU
H
10.744
1
19544
46
GLU
H
10.75
1
10067
103
GLU
H
10.751
1
18103
241
GLU
H
10.751
1
30494
28
GLU
H
10.755
1
19169
136
GLU
H
10.76
1
4926
6
GLU
H
10.76
1
19549
46
GLU
H
10.765
1
1170
61
GLU
H
10.77
1
16679
39
GLU
H
10.774
1
10282
17
GLU
H
10.775
1
15048
66
GLU
H
10.778
1
15064
97
GLU
H
10.78
1
6207
45
GLU
H
10.78
1
15067
97
GLU
H
10.78
1
19548
46
GLU
H
10.784
1
17414
20
GLU
H
10.787
1
25627
78
GLU
H
10.788
1
16715
226
GLU
H
10.793
1
16738
226
GLU
H
10.793
1
27285
255
GLU
H
10.799
1
27434
188
GLU
H
10.8
1
19546
46
GLU
H
10.804
1
17822
134
GLU
H
10.805
1
19547
46
GLU
H
10.81
1
438
61
GLU
H
10.81
1
6615
82
GLU
H
10.811
1
4127
13
GLU
H
10.82
1
17809
10
GLU
H
10.82
1
16266
118
GLU
H
10.821
1
27249
254
GLU
H
10.824
.
25533
158
GLU
H
10.829
1
5372
61
GLU
H
10.83
1
19231
52
GLU
H
10.831
1
15097
171
GLU
H
10.83581
1
17698
30
GLU
H
10.83701
1
17369
43
GLU
H
10.838
1
15312
81
GLU
H
10.845
.
4189
61
GLU
H
10.85
1
16634
20
GLU
H
10.85
1
4744
31
GLU
H
10.865
.
6535
13
GLU
H
10.87
1
17432
182
GLU
H
10.87
1
15917
3
GLU
H
10.872
1
18396
85
GLU
H
10.878
1
15560
20
GLU
H
10.88
1
11506
233
GLU
H
10.883
1
27284
115
GLU
H
10.895
.
17747
142
GLU
H
10.901
1
25081
43
GLU
H
10.901
1
15917
3
GLU
H
10.902
1
26586
3
GLU
H
10.9148
1
16971
131
GLU
H
10.92
1
439
61
GLU
H
10.93
1
7079
65
GLU
H
10.933
1
15964
112
GLU
H
10.936
1
5279
31
GLU
H
10.937
.
7072
24
GLU
H
10.945
1
6031
42
GLU
H
10.958
1
7430
112
GLU
H
10.959
1
5275
64
GLU
H
10.967
1
27080
167
GLU
H
10.984
1
15928
52
GLU
H
10.986
1
16336
93
GLU
H
10.99
1
7059
15
GLU
H
11.002
1
26590
3
GLU
H
11.003
1
6337
16
GLU
H
11.016
1
4695
38
GLU
H
11.02
1
26788
31
GLU
H
11.02
1
4388
72
GLU
H
11.03
1
4062
39
GLU
H
11.03
1
11258
23
GLU
H
11.034
1
27691
81
GLU
H
11.035
1
27133
165
GLU
H
11.038
1
16598
3
GLU
H
11.04
1
4061
39
GLU
H
11.04
1
7238
3
GLU
H
11.046
1
17277
118
GLU
H
11.048
1
11574
32
GLU
H
11.051
1
7237
3
GLU
H
11.052
1
11067
38
GLU
H
11.0549
1
27133
165
GLU
H
11.055
1
7239
3
GLU
H
11.056
1
6884
81
GLU
H
11.06
1
6357
3
GLU
H
11.07
1
16632
57
GLU
H
11.089
1
7236
3
GLU
H
11.095
1
10147
108
GLU
H
11.107
1
16632
57
GLU
H
11.119
1
27166
43
GLU
H
11.12
1
6597
52
GLU
H
11.121
1
6229
130
GLU
H
11.127
1
5212
35
GLU
H
11.13
.
6016
130
GLU
H
11.141
1
11575
43
GLU
H
11.144
1
6058
100
GLU
H
11.15
1
18392
138
GLU
H
11.15
1
27080
247
GLU
H
11.154
1
26788
169
GLU
H
11.158
1
27133
161
GLU
H
11.178
1
34080
23
GLU
H
11.182
1
27133
161
GLU
H
11.188
1
27240
45
GLU
H
11.188
.
7228
43
GLU
H
11.19
1
18728
118
GLU
H
11.19
1
17770
163
GLU
H
11.201
1
11086
43
GLU
H
11.211
1
27594
76
GLU
H
11.285
1
4844
185
GLU
H
11.3
1
10107
29
GLU
H
11.301
1
26535
172
GLU
H
11.305
1
26742
86
GLU
H
11.33
.
26741
86
GLU
H
11.338
.
5211
35
GLU
H
11.357
.
15065
97
GLU
H
11.37
1
18348
39
GLU
H
11.378
1
6090
183
GLU
H
11.381
1
6786
183
GLU
H
11.396
1
17160
58
GLU
H
11.4
1
25342
16
GLU
H
11.55
1
5752
181
GLU
H
11.588
1
15986
22
GLU
H
11.614
1
15643
294
GLU
H
11.619
1
7259
99
GLU
H
11.633
1
15383
33
GLU
H
11.651
1
10029
33
GLU
H
11.693
1
4821
89
GLU
H
11.724
1
18307
103
GLU
H
11.759
1
18306
63
GLU
H
11.776
1
16428
133
GLU
H
11.796
1
15383
107
GLU
H
11.835
1
11061
62
GLU
H
11.932
1
25461
43
GLU
H
11.938
1
18021
178
GLU
H
11.953
.
6223
64
GLU
H
11.96
1
17525
84
GLU
H
11.989
1
18020
178
GLU
H
12
.
4573
74
GLU
H
12.17
1
25985
70
GLU
H
12.412
1
25985
70
GLU
H
12.559
1
19108
72
GLU
H
12.692
.
30069
19
GLU
H
122.9
1
19855
42
GLU
H
13.877
1
4359
14
GLU
H
64.682
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18132
64
GLU
H
.008
1
18132
57
GLU
H
.009
1
7016
9
GLU
H
.02
.
7016
39
GLU
H
.02
.
7016
44
GLU
H
.02
.
7016
45
GLU
H
.02
.
7016
48
GLU
H
.02
.
7016
52
GLU
H
.02
.
7016
64
GLU
H
.02
.
7016
8
GLU
H
.02
.
7016
29
GLU
H
.02
.
7016
12
GLU
H
.02
.
7016
7
GLU
H
.02
.
18132
52
GLU
H
.056
1
25681
35
GLU
H
1.135
.
25681
31
GLU
H
1.242
.
25679
31
GLU
H
1.578
.
25679
35
GLU
H
1.843
.
25679
27
GLU
H
2.058
.
27202
157
GLU
H
2.138
.
27202
157
GLU
H
2.156
.
18490
16
GLU
H
3.785
1
10276
22
GLU
H
4.195
1
16134
63
GLU
H
4.244
1
19743
171
GLU
H
4.289
1
6074
178
GLU
H
4.308
1
18005
21
GLU
H
4.921
1
6249
77
GLU
H
4.98
1
4259
74
GLU
H
4.98
1
19743
210
GLU
H
5.017
1
18007
21
GLU
H
5.025
1
6074
217
GLU
H
5.037
1
18006
21
GLU
H
5.068
1
6249
247
GLU
H
5.12
1
18008
21
GLU
H
5.184
1
19855
12
GLU
H
5.193
1
6249
261
GLU
H
5.2
1
5619
38
GLU
H
5.23
1
19855
22
GLU
H
5.233
1
17008
38
GLU
H
5.264
1
34088
155
GLU
H
5.359
1
30604
154
GLU
H
5.403
.
15426
154
GLU
H
5.415
.
19855
21
GLU
H
5.418
1
34088
155
GLU
H
5.427
1
4899
26
GLU
H
5.46
1
6249
176
GLU
H
5.51
1
6184
26
GLU
H
5.545
1
10250
21
GLU
H
5.556
1
5506
32
GLU
H
5.58
1
11288
57
GLU
H
5.614
1
15431
126
GLU
H
5.65
1
16126
94
GLU
H
5.667
1
19855
10
GLU
H
5.673
1
16481
93
GLU
H
5.673
1
16481
93
GLU
H
5.674
1
34257
92
GLU
H
5.674
1
16849
12
GLU
H
5.706
1
15375
12
GLU
H
5.706
1
5935
78
GLU
H
5.719
1
6840
36
GLU
H
5.73
1
19301
139
GLU
H
5.76
.
16447
115
GLU
H
5.77
1
25689
50
GLU
H
5.776
1
15193
17
GLU
H
5.78
1
26871
235
GLU
H
5.8364
1
1379
63
GLU
H
5.84
1
17525
36
GLU
H
5.886
1
27022
120
GLU
H
5.89
1
11321
62
GLU
H
5.894
1
19834
93
GLU
H
5.915
.
15335
95
GLU
H
5.928
1
15263
26
GLU
H
5.94
1
16614
35
GLU
H
5.95
1
25422
90
GLU
H
5.96
1
5902
100
GLU
H
5.966
1
19992
133
GLU
H
5.969
1
18353
127
GLU
H
5.97
1
15744
36
GLU
H
5.972
1
376
63
GLU
H
6
1
5830
90
GLU
H
6
1
16347
78
GLU
H
6.01
1
5828
90
GLU
H
6.02
1
6524
27
GLU
H
6.025
1
27080
31
GLU
H
6.045
1
1171
90
GLU
H
6.05
1
25640
90
GLU
H
6.051
1