GLN HB3 Chemical Shift Outliers

___________________________________________________
GLN HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20906
2.013
-.52
4.04
0.264


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7285
8
GLN
HB3
2.81
2
5598
101
GLN
HB3
2.81
.
17613
25
GLN
HB3
2.815
2
17425
53
GLN
HB3
2.8296
1
5679
44
GLN
HB3
2.83
2
11299
51
GLN
HB3
2.842
2
18337
25
GLN
HB3
2.849
2
4336
32
GLN
HB3
2.87
1
16841
152
GLN
HB3
2.87
1
15339
15
GLN
HB3
2.883
2
17725
88
GLN
HB3
2.893
1
11024
79
GLN
HB3
2.899
2
11299
20
GLN
HB3
2.899
2
25060
36
GLN
HB3
2.902
2
25059
36
GLN
HB3
2.905
2
7107
98
GLN
HB3
2.908
2
3322
8
GLN
HB3
2.91
1
11298
24
GLN
HB3
2.913
1
16675
21
GLN
HB3
2.922
2
16632
129
GLN
HB3
2.927
2
6285
75
GLN
HB3
2.93
2
15229
91
GLN
HB3
2.944
.
36061
84
GLN
HB3
2.946
1
11299
9
GLN
HB3
2.952
2
16632
129
GLN
HB3
2.965
2
15576
24
GLN
HB3
2.966
2
18048
7
GLN
HB3
2.99
2
5701
57
GLN
HB3
3.048
2
25668
36
GLN
HB3
3.069
2
11298
40
GLN
HB3
3.069
2
15555
2
GLN
HB3
3.077
1
11298
31
GLN
HB3
3.101
1
25659
17
GLN
HB3
3.239
2
6799
15
GLN
HB3
3.27
2
17578
119
GLN
HB3
3.369
2
26509
26
GLN
HB3
3.433
1
5410
9
GLN
HB3
3.533
2
27643
29
GLN
HB3
3.703
.
4686
5
GLN
HB3
3.8
2
280
59
GLN
HB3
4.04
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6331
16
GLN
HB3
-.024
2
19048
20
GLN
HB3
-.024
1
19047
20
GLN
HB3
-.033
1
34193
26
GLN
HB3
-.065
2
19047
20
GLN
HB3
-.075
1
26558
139
GLN
HB3
-.097
2
11345
85
GLN
HB3
-.117
2
5224
90
GLN
HB3
-.15
2
18053
101
GLN
HB3
-.175
2
6125
85
GLN
HB3
-.21
2
10278
17
GLN
HB3
-.217
2
11152
93
GLN
HB3
-.35
2
18853
47
GLN
HB3
-.376
2
10317
30
GLN
HB3
-.497
2
5558
47
GLN
HB3
-.515
1
10076
105
GLN
HB3
-.52
2
19048
20
GLN
HB3
.01
1
10115
77
GLN
HB3
.014
2
15057
96
GLN
HB3
.018
1
18004
40
GLN
HB3
.032
2
15585
61
GLN
HB3
.047
2
34219
145
GLN
HB3
.056
2
16353
17
GLN
HB3
.058
2
16790
57
GLN
HB3
.068
2
34196
26
GLN
HB3
.098
2
34218
145
GLN
HB3
.102
2
15700
99
GLN
HB3
.126
2
26016
126
GLN
HB3
.179
2
4384
180
GLN
HB3
.18
2
4117
81
GLN
HB3
.19
2
10251
27
GLN
HB3
.198
2
25690
123
GLN
HB3
.212
2
25839
142
GLN
HB3
.238
2
26909
99
GLN
HB3
.319
1
5583
33
GLN
HB3
.33
1
6760
111
GLN
HB3
.37
2
4901
19
GLN
HB3
.38
1
19846
4
GLN
HB3
.383163
.
36013
19
GLN
HB3
.387
2
36101
19
GLN
HB3
.391
2
11594
19
GLN
HB3
.403
1
25109
65
GLN
HB3
.417
2
17585
96
GLN
HB3
.428
2
19219
40
GLN
HB3
.43
2
19220
43
GLN
HB3
.44
2
27439
35
GLN
HB3
.467
2
7053
57
GLN
HB3
.47
2
2856
26
GLN
HB3
.48
1
15356
37
GLN
HB3
.488
2
10004
21
GLN
HB3
.503
1
16684
62
GLN
HB3
.5039098
2
6904
25
GLN
HB3
.51
1
11478
14
GLN
HB3
.531
2
4081
62
GLN
HB3
.54
1
15382
45
GLN
HB3
.54
.
5948
26
GLN
HB3
.57
2
5949
26
GLN
HB3
.57
2
4395
51
GLN
HB3
.58
2
4871
135
GLN
HB3
.59
2
6711
114
GLN
HB3
.59
1
5211
58
GLN
HB3
.59
.
5701
81
GLN
HB3
.605
2
4342
60
GLN
HB3
.61
2
6903
25
GLN
HB3
.611
1
6648
63
GLN
HB3
.612
1
10115
41
GLN
HB3
.618
2
5027
88
GLN
HB3
.62
2
25834
172
GLN
HB3
.623
2
10085
63
GLN
HB3
.65
2
16745
6
GLN
HB3
.652
1
11125
79
GLN
HB3
.666
2
19842
187
GLN
HB3
.678
2
17783
29
GLN
HB3
.681
2
5225
54
GLN
HB3
.69
1
4259
47
GLN
HB3
.69
1
7105
19
GLN
HB3
.692
2
6051
23
GLN
HB3
.695
2
4084
36
GLN
HB3
.7
1
17838
134
GLN
HB3
.71
2
34079
36
GLN
HB3
.718
1
4206
89
GLN
HB3
.72
2
19551
203
GLN
HB3
.727
2
10260
53
GLN
HB3
.729
2
15265
25
GLN
HB3
.73
2
4959
123
GLN
HB3
.733
2
15757
15
GLN
HB3
.74
2
17806
19
GLN
HB3
.756
2
16545
17
GLN
HB3
.762
2
6361
64
GLN
HB3
.763
2
15246
93
GLN
HB3
.766
2
5232
117
GLN
HB3
.77
2
11292
62
GLN
HB3
.778
2
7242
188
GLN
HB3
.78
2
11349
9
GLN
HB3
.785
2
17691
18
GLN
HB3
.788
2
16193
56
GLN
HB3
.797
2
17510
108
GLN
HB3
.807
2
25612
24
GLN
HB3
.829
2
18758
58
GLN
HB3
.83
2
6904
84
GLN
HB3
.83
1
6903
84
GLN
HB3
.8328
1
19229
33
GLN
HB3
.833
2
17541
13
GLN
HB3
.837
2
17542
16
GLN
HB3
.837
2
10231
23
GLN
HB3
.838
2
5595
37
GLN
HB3
.84
2
30242
2
GLN
HB3
.841
2
25778
33
GLN
HB3
.848
2
11121
64
GLN
HB3
.849
2
699
8
GLN
HB3
.86
2
11594
68
GLN
HB3
.863
1
25790
33
GLN
HB3
.867
.
25791
33
GLN
HB3
.867
.
17622
28
GLN
HB3
.868
2
5492
47
GLN
HB3
.87
1
17623
28
GLN
HB3
.876
2
10187
24
GLN
HB3
.882
2
10168
24
GLN
HB3
.884
2
17582
121
GLN
HB3
.887
2
17576
121
GLN
HB3
.889
2
16995
53
GLN
HB3
.89
2
25343
42
GLN
HB3
.892
1
10323
31
GLN
HB3
.898
2
11316
68
GLN
HB3
.902
2
36068
6
GLN
HB3
.904
2
30066
13
GLN
HB3
.908
.
11488
42
GLN
HB3
.908
2
10270
86
GLN
HB3
.908
2
11475
14
GLN
HB3
.913
2
10197
24
GLN
HB3
.915
2
27536
91
GLN
HB3
.92
2
17388
10
GLN
HB3
.921
2
10304
24
GLN
HB3
.922
2
19508
41
GLN
HB3
.924
2
10310
24
GLN
HB3
.925
2
19463
93
GLN
HB3
.925
1
4514
20
GLN
HB3
.93
.
4046
73
GLN
HB3
.93
2
34285
53
GLN
HB3
.932
.
17521
86
GLN
HB3
.933
2
11139
85
GLN
HB3
.934
2
11167
24
GLN
HB3
.937
2
17160
30
GLN
HB3
.94
2
18135
62
GLN
HB3
.944
2
16082
41
GLN
HB3
.944
2
19198
10
GLN
HB3
.949
2
15850
17
GLN
HB3
.949
2
17595
104
GLN
HB3
.951
2
17479
54
GLN
HB3
.953
1
10188
24
GLN
HB3
.956
2
11376
86
GLN
HB3
.958
2
19461
93
GLN
HB3
.969
1
4980
12
GLN
HB3
.97
2
4860
98
GLN
HB3
.98
2
435
115
GLN
HB3
.98
2
7004
17
GLN
HB3
.98
2
30209
97
GLN
HB3
.982
.
11086
44
GLN
HB3
.983
2
25828
64
GLN
HB3
.983
2
25833
64
GLN
HB3
.983
2
10234
24
GLN
HB3
.984
2
10205
24
GLN
HB3
.987
2
4639
47
GLN
HB3
.988
1
19963
41
GLN
HB3
.99
2
7118
11
GLN
HB3
.99
.
25839
27
GLN
HB3
.991
2
6745
158
GLN
HB3
.995
2
15373
18
GLN
HB3
1
2
11321
64
GLN
HB3
1.001
2
36027
15
GLN
HB3
1.002
2
11110
50
GLN
HB3
1.002
2
5338
40
GLN
HB3
1.006
1
19947
41
GLN
HB3
1.01
2
6419
33
GLN
HB3
1.01
1
5497
89
GLN
HB3
1.01
2
5346
28
GLN
HB3
1.01
1
19178
92
GLN
HB3
1.015
2
5223
36
GLN
HB3
1.016
.
25514
94
GLN
HB3
1.022
.
5991
36
GLN
HB3
1.025
2
25498
16
GLN
HB3
1.029
2
4234
28
GLN
HB3
1.0298
2
6551
49
GLN
HB3
1.03
.
16691
50
GLN
HB3
1.03
2
19843
42
GLN
HB3
1.03
.
6134
17
GLN
HB3
1.03
1
18415
52
GLN
HB3
1.031
2
17405
10
GLN
HB3
1.032
2
11085
19
GLN
HB3
1.033
2
34219
50
GLN
HB3
1.034
2
15603
44
GLN
HB3
1.039
2
11205
58
GLN
HB3
1.04
2
7082
35
GLN
HB3
1.04
2
4256
103
GLN
HB3
1.046
1
10006
48
GLN
HB3
1.048
2
19462
93
GLN
HB3
1.049
1
18908
67
GLN
HB3
1.049
2
18211
45
GLN
HB3
1.057
2
15821
55
GLN
HB3
1.063
2
34055
24
GLN
HB3
1.067
1
15595
125
GLN
HB3
1.077
2
7085
86
GLN
HB3
1.078
2
11333
98
GLN
HB3
1.079
2
4886
99
GLN
HB3
1.08
2
4788
24
GLN
HB3
1.08
1
6688
193
GLN
HB3
1.08
1
18459
79
GLN
HB3
1.084
2
6960
70
GLN
HB3
1.085
.
16606
91
GLN
HB3
1.086
2
26818
63
GLN
HB3
1.087
2
5141
93
GLN
HB3
1.09
1
17809
103
GLN
HB3
1.09
2
11559
63
GLN
HB3
1.09
2
10313
82
GLN
HB3
1.093
2
36014
63
GLN
HB3
1.096
2
15439
29
GLN
HB3
1.102
.
11560
63
GLN
HB3
1.106
2
25515
94
GLN
HB3
1.108
.
27078
146
GLN
HB3
1.11
2
6890
18
GLN
HB3
1.11
2
18505
15
GLN
HB3
1.11
2
6226
73
GLN
HB3
1.11
2
11265
45
GLN
HB3
1.112
2
6152
20
GLN
HB3
1.116
.
11599
84
GLN
HB3
1.117
2
30477
51
GLN
HB3
1.119
.
30537
121
GLN
HB3
1.12
2
11287
42
GLN
HB3
1.121
2
19431
62
GLN
HB3
1.125
2
4848
171
GLN
HB3
1.13
.
18522
39
GLN
HB3
1.131
2
11143
21
GLN
HB3
1.131
2
19530
61
GLN
HB3
1.136
.
4370
12
GLN
HB3
1.14
2
5105
20
GLN
HB3
1.14
2
30188
15
GLN
HB3
1.14
2
10019
31
GLN
HB3
1.142
2
30298
87
GLN
HB3
1.148
2
11588
63
GLN
HB3
1.149
2
16463
95
GLN
HB3
1.15
2
16336
37
GLN
HB3
1.15
2
16061
124
GLN
HB3
1.15
2
11587
63
GLN
HB3
1.152
2
6578
26
GLN
HB3
1.152
2
17029
69
GLN
HB3
1.153
1
19053
157
GLN
HB3
1.16
2
6454
121
GLN
HB3
1.16
2
18900
89
GLN
HB3
1.162
2
10097
27
GLN
HB3
1.163
2
17594
23
GLN
HB3
1.168
2
17622
76
GLN
HB3
1.169
2
5075
47
GLN
HB3
1.17
2
5492
38
GLN
HB3
1.17
2
17585
110
GLN
HB3
1.176
2
19654
140
GLN
HB3
1.176
.
17006
54
GLN
HB3
1.177
2
15988
96
GLN
HB3
1.179
2
34220
39
GLN
HB3
1.18
2
15530
117
GLN
HB3
1.18
1
11152
48
GLN
HB3
1.183
2
16772
67
GLN
HB3
1.184
2
6410
84
GLN
HB3
1.184
2
17623
76
GLN
HB3
1.185
2
11583
4
GLN
HB3
1.185
1
27477
13
GLN
HB3
1.188
2
16711
8
GLN
HB3
1.19
2
16446
54
GLN
HB3
1.195
2
19600
28
GLN
HB3
1.195
.
19735
76
GLN
HB3
1.199
2
16708
170
GLN
HB3
1.2
1
10193
54
GLN
HB3
1.201
2
10251
105
GLN
HB3
1.204
2
34218
50
GLN
HB3
1.207
2
18419
65
GLN
HB3
1.209
2
16733
135
GLN
HB3
1.209
2
4035
32
GLN
HB3
1.21
2
5122
52
GLN
HB3
1.211
2
19203
30
GLN
HB3
1.214
2
10167
24
GLN
HB3
1.214
2
11599
95
GLN
HB3
1.215
2
5794
36
GLN
HB3
1.215
2
16424
70
GLN
HB3
1.219
2
6226
93
GLN
HB3
1.22
2
15743
56
GLN
HB3
1.22
2
17838
87
GLN
HB3
1.22
2
16572
91
GLN
HB3
1.22
2