GLU H Chemical Shift Outliers

___________________________________________________
GLU H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
64028
8.328
4.289
12.692
0.580


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5221
127
GLU
H
10.072
1
6317
58
GLU
H
10.072
1
18373
34
GLU
H
10.074
1
25137
14
GLU
H
10.077
1
25030
33
GLU
H
10.086
.
17820
167
GLU
H
10.087
1
5858
91
GLU
H
10.09
.
5817
8
GLU
H
10.09
1
27106
83
GLU
H
10.098
1
11129
8
GLU
H
10.101
1
7417
6
GLU
H
10.104
1
27496
45
GLU
H
10.108
1
6318
100
GLU
H
10.11
1
6125
224
GLU
H
10.11
1
4029
153
GLU
H
10.11
1
4045
21
GLU
H
10.11
1
17747
35
GLU
H
10.112
1
10090
71
GLU
H
10.114
1
15446
125
GLU
H
10.115
1
6440
150
GLU
H
10.117
1
19206
130
GLU
H
10.118
1
15076
35
GLU
H
10.12
1
6466
24
GLU
H
10.12
1
15366
124
GLU
H
10.12
1
25556
12
GLU
H
10.12
1
6644
165
GLU
H
10.12
1
11106
24
GLU
H
10.121
1
19095
47
GLU
H
10.124
1
6271
124
GLU
H
10.128
1
17467
98
GLU
H
10.1291
1
25622
43
GLU
H
10.13
1
4304
47
GLU
H
10.13
1
5816
129
GLU
H
10.13
1
7272
39
GLU
H
10.13
1
25020
134
GLU
H
10.131
.
18000
12
GLU
H
10.14
1
27187
103
GLU
H
10.141
.
7008
16
GLU
H
10.141
.
15334
10
GLU
H
10.142
1
25918
89
GLU
H
10.1456
1
18678
15
GLU
H
10.146
1
18398
60
GLU
H
10.147
1
6231
96
GLU
H
10.15
1
16154
44
GLU
H
10.15
1
5822
109
GLU
H
10.15
1
6822
36
GLU
H
10.15
1
5823
227
GLU
H
10.15
1
16051
44
GLU
H
10.15
1
4897
129
GLU
H
10.15
1
19792
23
GLU
H
10.151
.
17892
66
GLU
H
10.152
.
6317
66
GLU
H
10.152
1
15974
78
GLU
H
10.153
1
16679
157
GLU
H
10.154
1
17232
38
GLU
H
10.154
1
19061
67
GLU
H
10.156
.
16736
68
GLU
H
10.157
1
18883
108
GLU
H
10.158
.
4102
213
GLU
H
10.16
1
16984
231
GLU
H
10.162
1
27792
102
GLU
H
10.166
1
27792
102
GLU
H
10.166
1
26784
30
GLU
H
10.168
1
26783
30
GLU
H
10.168
1
4663
24
GLU
H
10.17
1
16690
26
GLU
H
10.171
1
19293
67
GLU
H
10.173
.
17288
89
GLU
H
10.178
1
15170
66
GLU
H
10.18
1
16940
92
GLU
H
10.18
1
16216
93
GLU
H
10.18
1
19034
6
GLU
H
10.185
1
7416
6
GLU
H
10.187
1
5577
130
GLU
H
10.188
.
4673
9
GLU
H
10.19
1
27268
81
GLU
H
10.19
.
17916
72
GLU
H
10.19
1
17161
10
GLU
H
10.19
1
27496
45
GLU
H
10.192
1
16062
43
GLU
H
10.197
1
36026
4
GLU
H
10.198
1
16262
61
GLU
H
10.198
1
4782
120
GLU
H
10.2
1
7339
145
GLU
H
10.203
1
15720
145
GLU
H
10.203
1
26610
135
GLU
H
10.204
1
15797
123
GLU
H
10.205
1
18046
85
GLU
H
10.207
1
1516
37
GLU
H
10.21
1
5105
62
GLU
H
10.21
1
15899
110
GLU
H
10.211
1
11073
149
GLU
H
10.212
1
16021
149
GLU
H
10.212
1
27496
45
GLU
H
10.218
1
19843
9
GLU
H
10.218
.
36027
99
GLU
H
10.22
1
4722
147
GLU
H
10.22
1
6748
34
GLU
H
10.22
.
4776
71
GLU
H
10.22
1
15798
123
GLU
H
10.228
1
18257
144
GLU
H
10.229
1
15222
121
GLU
H
10.23
1
19382
21
GLU
H
10.233
1
34220
49
GLU
H
10.233
1
18257
144
GLU
H
10.233
1
11414
11
GLU
H
10.234
1
25381
27
GLU
H
10.237
1
36026
99
GLU
H
10.238
1
6199
175
GLU
H
10.24
1
5793
84
GLU
H
10.24
1
5898
187
GLU
H
10.24
1
18477
135
GLU
H
10.242
1
27519
7
GLU
H
10.25
1
4369
43
GLU
H
10.25
1
4858
66
GLU
H
10.25
1
27496
45
GLU
H
10.256
1
27496
45
GLU
H
10.259
1
18257
144
GLU
H
10.26
1
18941
97
GLU
H
10.261
1
11094
39
GLU
H
10.261
1
11609
109
GLU
H
10.267
1
15020
112
GLU
H
10.268
1
27645
40
GLU
H
10.27
1
27126
44
GLU
H
10.272
1
18257
144
GLU
H
10.275
1
15369
125
GLU
H
10.28
1
11379
16
GLU
H
10.288
1
4874
26
GLU
H
10.29
1
25441
66
GLU
H
10.29
1
6542
335
GLU
H
10.29
1
25172
118
GLU
H
10.291
1
18373
136
GLU
H
10.302
1
5808
26
GLU
H
10.308
1
16628
85
GLU
H
10.309
1
11095
39
GLU
H
10.309
1
4305
38
GLU
H
10.31
1
27508
100
GLU
H
10.311
.
6826
21
GLU
H
10.317
1
4841
26
GLU
H
10.319
1
15303
82
GLU
H
10.32
1
5471
709
GLU
H
10.32
1
10069
45
GLU
H
10.321
1
7240
198
GLU
H
10.321
1
6333
11
GLU
H
10.321
1
6936
23
GLU
H
10.323
1
15128
39
GLU
H
10.326
1
16646
56
GLU
H
10.33
1
5997
28
GLU
H
10.33
1
27199
87
GLU
H
10.332
1
25016
134
GLU
H
10.337
.
27191
90
GLU
H
10.3373
1
10265
64
GLU
H
10.338
1
17518
41
GLU
H
10.341
1
7130
24
GLU
H
10.343
1
30275
81
GLU
H
10.355
1
15738
47
GLU
H
10.366
1
15249
85
GLU
H
10.367
1
5218
131
GLU
H
10.37
1
6866
108
GLU
H
10.37
1
25918
14
GLU
H
10.377
1
979
18
GLU
H
10.38
1
6899
26
GLU
H
10.38
1
19615
186
GLU
H
10.381
1
11096
96
GLU
H
10.387
1
25048
23
GLU
H
10.39
1
5115
28
GLU
H
10.39
1
6199
38
GLU
H
10.39
1
4354
44
GLU
H
10.393
1
19743
186
GLU
H
10.395
1
19839
85
GLU
H
10.4
1
5116
28
GLU
H
10.4
1
27631
254
GLU
H
10.404
.
4328
50
GLU
H
10.407
1
18494
45
GLU
H
10.408
1
18464
17
GLU
H
10.409
1
27185
90
GLU
H
10.4102
1
6074
193
GLU
H
10.419
1
4912
35
GLU
H
10.42
1
27015
72
GLU
H
10.423
1
6853
199
GLU
H
10.423
1
5695
32
GLU
H
10.43
1
30303
80
GLU
H
10.43
.
25713
269
GLU
H
10.432
1
19977
95
GLU
H
10.433
1
5946
61
GLU
H
10.435
1
25715
269
GLU
H
10.435
1
19742
186
GLU
H
10.437
1
19744
186
GLU
H
10.437
1
5968
31
GLU
H
10.44
1
15922
190
GLU
H
10.442
1
26919
97
GLU
H
10.443
1
25714
269
GLU
H
10.444
1
25711
269
GLU
H
10.446
1
16395
66
GLU
H
10.448
1
25851
148
GLU
H
10.451
1
27014
72
GLU
H
10.452
1
19616
186
GLU
H
10.453
1
18653
21
GLU
H
10.46
1
7161
46
GLU
H
10.46
1
7286
50
GLU
H
10.464
1
25743
95
GLU
H
10.465
1
4986
44
GLU
H
10.47
1
6011
65
GLU
H
10.47
1
27511
102
GLU
H
10.475
.
19686
35
GLU
H
10.48
1
5860
23
GLU
H
10.482
1
5594
24
GLU
H
10.49
1
5712
70
GLU
H
10.5
1
6807
44
GLU
H
10.509
1
19207
39
GLU
H
10.51
1
36027
4
GLU
H
10.51
1
6971
32
GLU
H
10.51
1
5959
42
GLU
H
10.51
1
11266
33
GLU
H
10.519
1
341
7
GLU
H
10.52
1
18779
18
GLU
H
10.523
1
30019
60
GLU
H
10.526
1
19209
39
GLU
H
10.53
1
6116
134
GLU
H
10.533
1
18290
66
GLU
H
10.537
1
19680
35
GLU
H
10.54
1
4049
38
GLU
H
10.55
1
4580
6
GLU
H
10.55
1
16738
298
GLU
H
10.556
1
16715
298
GLU
H
10.556
1
6620
146
GLU
H
10.558
1
19413
86
GLU
H
10.566
1
4354
130
GLU
H
10.571
1
7086
5
GLU
H
10.58
1
4987
130
GLU
H
10.58
1
6031
80
GLU
H
10.584
1
4986
130
GLU
H
10.59
1
4493
24
GLU
H
10.597
1
5498
22
GLU
H
10.6
1
16176
48
GLU
H
10.609
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
1870
8
GLU
H
10.62
1
6807
130
GLU
H
10.621
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
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
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
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
4926
6
GLU
H
10.71
1
15066
97
GLU
H
10.71
1
4577
150
GLU
H
10.71
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
437
61
GLU
H
10.74
1
19288
17
GLU
H
10.744
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
16679
39
GLU
H
10.774
1
10282
17
GLU
H
10.775
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
16715
226
GLU
H
10.793
1
16738
226
GLU
H
10.793
1
27285
255
GLU
H
10.799
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
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
.
16634
20
GLU
H
10.85
1
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
11506
233
GLU
H
10.883
1
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
15964
112
GLU
H
10.936
1
6031
42
GLU
H
10.958
1
7430
112
GLU
H
10.959
1
16336
93
GLU
H
10.99
1
7059
15
GLU
H
11.002
1
26590
3
GLU
H
11.003
1
26788
31
GLU
H
11.02
1
4388
72
GLU
H
11.03
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
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
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
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
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
5752
181
GLU
H
11.588
1
15986
22
GLU
H
11.614
1
15643
294
GLU
H
11.619
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
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
19108
72
GLU
H
12.692
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19743
171
GLU
H
4.289
1
6074
178
GLU
H
4.308
1
4259
74
GLU
H
4.98
1
19743
210
GLU
H
5.017
1
6074
217
GLU
H
5.037
1
34088
155
GLU
H
5.359
1
30604
154
GLU
H
5.403
.
15426
154
GLU
H
5.415
.
34088
155
GLU
H
5.427
1
6184
26
GLU
H
5.545
1
10250
21
GLU
H
5.556
1
5506
32
GLU
H
5.58
1
15431
126
GLU
H
5.65
1
34257
92
GLU
H
5.674
1
5935
78
GLU
H
5.719
1
6840
36
GLU
H
5.73
1
16447
115
GLU
H
5.77
1
25689
50
GLU
H
5.776
1
17525
36
GLU
H
5.886
1
27022
120
GLU
H
5.89
1
11321
62
GLU
H
5.894
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
16347
78
GLU
H
6.01
1
6524
27
GLU
H
6.025
1
16123
95
GLU
H
6.09
1
6811
61
GLU
H
6.11
.
30075
12
GLU
H
6.117
1
16585
101
GLU
H
6.12
1
19777
136
GLU
H
6.125
.
15901
95
GLU
H
6.126
1
27816
88
GLU
H
6.126
1
27815
88
GLU
H
6.138
1
15061
27
GLU
H
6.141
1
16838
55
GLU
H
6.144
1
494
101
GLU
H
6.15
1
18788
101
GLU
H
6.15
1
1581
108
GLU
H
6.15
1
1583
102
GLU
H
6.15
1
16940
61
GLU
H
6.15
1
15232
101
GLU
H
6.152
1
15693
106
GLU
H
6.16
1
18013
101
GLU
H
6.161
1
1874
101
GLU
H
6.17
1
5060
90
GLU
H
6.17
1
1584
102
GLU
H
6.17
1
4052
101
GLU
H
6.17
.
1582
108
GLU
H
6.17
1
27827
88
GLU
H
6.172
1
11546
78
GLU
H
6.181
1
189
108
GLU
H
6.19
1
136
108
GLU
H
6.19
1
26730
115
GLU
H
6.19
1
7416
47
GLU
H
6.198
1
5887
8
GLU
H
6.2
1
26779
66
GLU
H
6.233
1
19776
136
GLU
H
6.242
.
15312
23
GLU
H
6.249
.
19038
142
GLU
H
6.25
.
19325
183
GLU
H
6.27
1
25420
90
GLU
H
6.284
1
18791
147
GLU
H
6.3205
1
17722
89
GLU
H
6.322
.
26731
115
GLU
H
6.322
1
15439
34
GLU
H
6.325
.
27729
200
GLU
H
6.333
.
16869
126
GLU
H
6.34
1
4990
27
GLU
H
6.34
1
11308
84
GLU
H
6.346
1
5288
74
GLU
H
6.37
1
17763
50
GLU
H
6.37
1
26022
25
GLU
H
6.378
.
17591
13
GLU
H
6.38
1
17590
13
GLU
H
6.38
1
17779
50
GLU
H
6.397
1
19992
180
GLU
H
6.399
1
26617
32
GLU
H
6.401
1
27020
138
GLU
H
6.401
1
17703
168
GLU
H
6.402
1
18353
174
GLU
H
6.409
1
5070
36
GLU
H
6.41
1
4987
153
GLU
H
6.41
1
19088
174
GLU
H
6.412
1
7418
14
GLU
H
6.413
1
17410
78
GLU
H
6.417
1
25453
134
GLU
H
6.417
1
5999
9
GLU
H
6.418
1
5115
43
GLU
H
6.42
1
15178
87
GLU
H
6.421
1
26851
49
GLU
H
6.424
1
26564
112
GLU
H
6.428
1
27399
187
GLU
H
6.43
1
26564
112
GLU
H
6.436
1
5116
43
GLU
H
6.44
1
15112
83
GLU
H
6.443
1
26848
49
GLU
H
6.443
1
4354
153
GLU
H
6.448
1
6297
46
GLU
H
6.453
1
6184
37
GLU
H
6.455
1
7417
47
GLU
H
6.461
1
27398
187
GLU
H
6.47
1
15837
109
GLU
H
6.47
1
7424
47
GLU
H
6.474
1
11471
7
GLU
H
6.476
.
25752
219
GLU
H
6.48
1
17770
164
GLU
H
6.485
1
11330
101
GLU
H
6.493
1
6440
180
GLU
H
6.495
1
16272
84
GLU
H
6.5
1
16283
84
GLU
H
6.501
1
6807
153
GLU
H
6.505
1
27314
285
GLU
H
6.506
1
27022
128
GLU
H
6.509
1
25701
219
GLU
H
6.51
1
18390
43
GLU
H
6.519
1
27536
113
GLU
H
6.52
1
4986
153
GLU
H
6.52
1
27610
57
GLU
H
6.523
1
16690
122
GLU
H
6.524
1
6760
37
GLU
H
6.53
1
4099
31
GLU
H
6.53
1
15687
29
GLU
H
6.53
1
27536
47
GLU
H
6.53
1
6982
51
GLU
H
6.534
1
6034
236
GLU
H
6.54
1
16668
97
GLU
H
6.54
1
27199
32
GLU
H
6.549
1
5838
31
GLU
H
6.55
1
15925
160
GLU
H
6.55
1
6282
84
GLU
H
6.55
1
27268
12
GLU
H
6.55
.
12014
86
GLU
H
6.553
1
16840
47
GLU
H
6.559
1
5544
32
GLU
H
6.56
.
18801
18
GLU
H
6.56
.
4980
50
GLU
H
6.56
1
36061
124
GLU
H
6.564
1
17447
47
GLU
H
6.566
1
26977
130
GLU
H
6.578
1