GLN HB3 Chemical Shift Outliers

___________________________________________________
GLN HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
27705
2.011
-1.498
20.9
0.329


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25855
164
GLN
HB3
14.78
.
25854
164
GLN
HB3
14.78
.
4621
87
GLN
HB3
20.9
.
17226
82
GLN
HB3
3.011
2
4181
61
GLN
HB3
3.021
.
131
21
GLN
HB3
3.03
1
16024
61
GLN
HB3
3.039
2
4038
65
GLN
HB3
3.04
1
5701
57
GLN
HB3
3.048
2
25668
36
GLN
HB3
3.069
2
11298
40
GLN
HB3
3.069
2
15584
102
GLN
HB3
3.075
2
15555
2
GLN
HB3
3.077
1
11298
31
GLN
HB3
3.101
1
16306
44
GLN
HB3
3.15
2
17481
148
GLN
HB3
3.16
1
16306
42
GLN
HB3
3.17
2
25659
17
GLN
HB3
3.239
2
5269
43
GLN
HB3
3.24
1
15063
3
GLN
HB3
3.259
2
6799
15
GLN
HB3
3.27
2
17226
58
GLN
HB3
3.273
2
16307
42
GLN
HB3
3.31
1
16124
34
GLN
HB3
3.335
2
5625
16
GLN
HB3
3.36
2
6634
16
GLN
HB3
3.36
2
17578
119
GLN
HB3
3.369
2
4141
52
GLN
HB3
3.39
9
26593
60
GLN
HB3
3.39
2
26509
26
GLN
HB3
3.433
1
25477
21
GLN
HB3
3.464
2
25588
135
GLN
HB3
3.479
2
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
4435
40
GLN
HB3
4.05
2
5172
47
GLN
HB3
4.73
2
26725
85
GLN
HB3
4.806
.
19854
84
GLN
HB3
6.963
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6873
264
GLN
HB3
-.02
2
19048
20
GLN
HB3
-.024
1
6331
16
GLN
HB3
-.024
2
19047
20
GLN
HB3
-.033
1
5365
61
GLN
HB3
-.053
2
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
4311
138
GLN
HB3
-.216
1
10278
17
GLN
HB3
-.217
2
11152
93
GLN
HB3
-.35
2
18853
47
GLN
HB3
-.376
2
10314
17
GLN
HB3
-.488
2
10317
30
GLN
HB3
-.497
2
5558
47
GLN
HB3
-.515
1
10076
105
GLN
HB3
-.52
2
16983
26
GLN
HB3
-.56
2
10300
86
GLN
HB3
-.571
2
11148
102
GLN
HB3
-.584
2
11362
20
GLN
HB3
-.642
2
19328
21
GLN
HB3
-.75
2
16209
20
GLN
HB3
-.783
2
25324
8
GLN
HB3
-.797
2
25306
9
GLN
HB3
-.797
2
25027
85
GLN
HB3
-.824
2
11115
20
GLN
HB3
-.883
2
10063
44
GLN
HB3
-.942
2
25324
75
GLN
HB3
-.947
2
25306
76
GLN
HB3
-.947
2
16210
20
GLN
HB3
-.992
2
34140
77
GLN
HB3
-.995
2
4039
7
GLN
HB3
-1.14
1
4041
7
GLN
HB3
-1.14
1
15109
56
GLN
HB3
-1.231
2
6330
35
GLN
HB3
-1.34
1
6336
35
GLN
HB3
-1.42
2
30177
26
GLN
HB3
-1.498
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
5981
170
GLN
HB3
.033
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
10311
20
GLN
HB3
.077
2
34196
26
GLN
HB3
.098
2
4469
5
GLN
HB3
.1
1
34218
145
GLN
HB3
.102
2
11089
31
GLN
HB3
.116
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
10065
43
GLN
HB3
.195
2
10251
27
GLN
HB3
.198
2
25690
123
GLN
HB3
.212
2
2999
41
GLN
HB3
.22
2
25839
142
GLN
HB3
.238
2
16107
47
GLN
HB3
.239
2
18813
31
GLN
HB3
.242
2
10249
27
GLN
HB3
.244
2
15996
15
GLN
HB3
.273
2
5261
57
GLN
HB3
.279
1
5363
60
GLN
HB3
.28
1
26577
82
GLN
HB3
.297
2
25153
90
GLN
HB3
.299
.
26909
99
GLN
HB3
.319
1
11390
60
GLN
HB3
.326
2
5583
33
GLN
HB3
.33
1
30010
46
GLN
HB3
.335
.
11578
19
GLN
HB3
.357
2
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
4444
14
GLN
HB3
.4
.
4042
31
GLN
HB3
.4
2
11594
19
GLN
HB3
.403
1
25109
65
GLN
HB3
.417
2
16680
73
GLN
HB3
.418
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
19945
91
GLN
HB3
.485
.
15356
37
GLN
HB3
.488
2
5333
16
GLN
HB3
.5
2
10004
21
GLN
HB3
.503
1
16684
62
GLN
HB3
.5039098
2
6904
25
GLN
HB3
.51
1
4087
67
GLN
HB3
.52
2
5212
58
GLN
HB3
.527
.
11478
14
GLN
HB3
.531
2
4081
62
GLN
HB3
.54
1
11501
38
GLN
HB3
.54
2
15382
45
GLN
HB3
.54
.
5897
147
GLN
HB3
.559
2
34044
38
GLN
HB3
.56
2
5948
26
GLN
HB3
.57
2
5949
26
GLN
HB3
.57
2
18919
54
GLN
HB3
.57
.
7400
26
GLN
HB3
.574
2
7399
26
GLN
HB3
.574
2
17963
26
GLN
HB3
.574
2
5117
34
GLN
HB3
.574
2
7206
15
GLN
HB3
.58
1
4395
51
GLN
HB3
.58
2
4871
135
GLN
HB3
.59
2
6711
114
GLN
HB3
.59
1
5211
58
GLN
HB3
.59
.
4881
99
GLN
HB3
.6
2
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
4291
16
GLN
HB3
.622
1
25834
172
GLN
HB3
.623
2
17754
37
GLN
HB3
.63
2
19045
136
GLN
HB3
.644
2
25155
90
GLN
HB3
.648
.
10085
63
GLN
HB3
.65
2
16745
6
GLN
HB3
.652
1
4681
45
GLN
HB3
.66
.
11125
79
GLN
HB3
.666
2
19842
187
GLN
HB3
.678
2
17783
29
GLN
HB3
.681
2
2999
47
GLN
HB3
.69
1
5225
54
GLN
HB3
.69
1
4259
47
GLN
HB3
.69
1
7105
19
GLN
HB3
.692
2
6051
23
GLN
HB3
.695
2
5261
82
GLN
HB3
.696
2
4084
36
GLN
HB3
.7
1
17272
84
GLN
HB3
.701
2
17273
84
GLN
HB3
.701
2
18728
37
GLN
HB3
.702
2
17838
134
GLN
HB3
.71
2
10102
65
GLN
HB3
.712
2
10120
117
GLN
HB3
.716
2
34079
36
GLN
HB3
.718
1
5194
134
GLN
HB3
.72
2
4751
117
GLN
HB3
.72
2
4206
89
GLN
HB3
.72
2
5013
46
GLN
HB3
.726
2
19551
203
GLN
HB3
.727
2
10260
53
GLN
HB3
.729
2
15265
25
GLN
HB3
.73
2
4464
5
GLN
HB3
.73
1
4959
123
GLN
HB3
.733
2
6385
71
GLN
HB3
.736
1
7166
47
GLN
HB3
.738
2
15757
15
GLN
HB3
.74
2
4602
49
GLN
HB3
.75
2
4681
45
GLN
HB3
.75
.
17806
19
GLN
HB3
.756
2
27579
109
GLN
HB3
.762
2
16545
17
GLN
HB3
.762
2
6361
64
GLN
HB3
.763
2
34139
96
GLN
HB3
.763
.
15246
93
GLN
HB3
.766
2
5232
117
GLN
HB3
.77
2
4682
45
GLN
HB3
.77
.
17272
31
GLN
HB3
.777
2
17273
31
GLN
HB3
.777
2
11292
62
GLN
HB3
.778
2
7242
188
GLN
HB3
.78
2
6131
47
GLN
HB3
.783
1
11349
9
GLN
HB3
.785
2
17691
18
GLN
HB3
.788
2
10314
43
GLN
HB3
.792
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
11175
147
GLN
HB3
.852
1
699
8
GLN
HB3
.86
2
11594
68
GLN
HB3
.863
1
25042
57
GLN
HB3
.867
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
6821
153
GLN
HB3
.898
.
10323
31
GLN
HB3
.898
2
6921
53
GLN
HB3
.9
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
6343
60
GLN
HB3
.91
2
19248
30
GLN
HB3
.912
.
11475
14
GLN
HB3
.913
2
16449
40
GLN
HB3
.914
.
10197
24
GLN
HB3
.915
2
27536
91
GLN
HB3
.92
2
17388
10
GLN
HB3
.921
2
26582
82
GLN
HB3
.922
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
6253
120
GLN
HB3
.926
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
17632
102
GLN
HB3
.945
2
11578
68
GLN
HB3
.946
1
19198
10
GLN
HB3
.949
2
15850
17
GLN
HB3
.949
2
17595
104
GLN
HB3
.951
2
19423
101
GLN
HB3
.951
2
17479
54
GLN
HB3
.953
1
10188
24
GLN
HB3
.956
2
11376
86
GLN
HB3
.958
2
5126
59
GLN
HB3
.96
.
19461
93
GLN
HB3
.969
1
4980
12
GLN
HB3
.97
2
4154
105
GLN
HB3
.97
1
2278
105
GLN
HB3
.97
1
17191
32
GLN
HB3
.97
2
11115
49
GLN
HB3
.978
2
4860
98
GLN
HB3
.98
2
435
115
GLN
HB3
.98
2
7004
17
GLN
HB3
.98
2
7061
45
GLN
HB3
.98
.
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
30333
5
GLN
HB3
.99
1
7118
11
GLN
HB3
.99
.
7150
46
GLN
HB3
.99
1
25839
27
GLN
HB3
.991
2
6745
158
GLN
HB3
.995
2
16773
67
GLN
HB3
.999
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
36048
22
GLN
HB3
1.006
.
19947
41
GLN
HB3
1.01
2
6419
33
GLN
HB3
1.01
1
5497
89
GLN
HB3
1.01
2
4751
33
GLN
HB3
1.01
2
4436
40
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
.
16278
63
GLN
HB3
1.024
2