GLN HE22 Chemical Shift Outliers

___________________________________________________
GLN HE22 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
14909
7.038
3.59
10.353
0.433


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17952
26
GLN
HE22
10.353
2
11192
25
GLN
HE22
8.346
2
27608
86
GLN
HE22
8.349
.
4206
89
GLN
HE22
8.35
2
6806
26
GLN
HE22
8.35
2
11197
84
GLN
HE22
8.369
2
36068
37
GLN
HE22
8.372
2
7204
101
GLN
HE22
8.374
2
11157
30
GLN
HE22
8.375
2
10004
21
GLN
HE22
8.375
2
27643
33
GLN
HE22
8.393
.
34101
91
GLN
HE22
8.395
2
19219
343
GLN
HE22
8.396
2
11146
93
GLN
HE22
8.422
2
18193
40
GLN
HE22
8.429
2
6297
15
GLN
HE22
8.431
2
27608
142
GLN
HE22
8.445
.
19687
62
GLN
HE22
8.447
1
11544
58
GLN
HE22
8.45
1
27608
149
GLN
HE22
8.464
.
17161
62
GLN
HE22
8.48
2
11099
70
GLN
HE22
8.487
2
5397
55
GLN
HE22
8.5
2
11093
30
GLN
HE22
8.501
2
25243
60
GLN
HE22
8.508
.
18526
145
GLN
HE22
8.517
2
15327
10
GLN
HE22
8.53
2
5959
55
GLN
HE22
8.53
2
18193
40
GLN
HE22
8.536
2
6806
55
GLN
HE22
8.54
2
7219
161
GLN
HE22
8.551
2
19579
83
GLN
HE22
8.558
1
17323
150
GLN
HE22
8.568
1
6256
126
GLN
HE22
8.57
2
16675
63
GLN
HE22
8.578
2
17233
67
GLN
HE22
8.592
2
4101
71
GLN
HE22
8.61
2
6518
98
GLN
HE22
8.61
2
5397
55
GLN
HE22
8.65
2
18193
40
GLN
HE22
8.659
2
10149
70
GLN
HE22
8.659
2
6805
55
GLN
HE22
8.68
2
11143
70
GLN
HE22
8.689
2
4325
56
GLN
HE22
8.69
4
4325
114
GLN
HE22
8.69
4
19453
21
GLN
HE22
8.7
.
11333
68
GLN
HE22
8.701
2
25839
64
GLN
HE22
8.711
1
18243
79
GLN
HE22
8.728
2
10144
188
GLN
HE22
8.73
2
17389
30
GLN
HE22
8.753
2
10145
198
GLN
HE22
8.793
2
196
2
GLN
HE22
8.82
1
15020
111
GLN
HE22
8.822
2
7034
95
GLN
HE22
8.839
.
18001
86
GLN
HE22
8.84
1
6366
66
GLN
HE22
8.88
2
25102
22
GLN
HE22
8.883
2
19626
42
GLN
HE22
8.976
1
4117
54
GLN
HE22
9.02
2
5355
146
GLN
HE22
9.09
1
11065
72
GLN
HE22
9.125
2
16689
140
GLN
HE22
9.139
2
5679
44
GLN
HE22
9.14
2
5299
93
GLN
HE22
9.18
2
4946
35
GLN
HE22
9.37
2
5679
127
GLN
HE22
9.54
2
15607
254
GLN
HE22
9.572
2
18394
73
GLN
HE22
9.706
1
5679
84
GLN
HE22
9.79
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5578
108
GLN
HE22
3.59
.
26660
33
GLN
HE22
3.61
1
26659
33
GLN
HE22
3.644
1
5048
109
GLN
HE22
3.66
2
16772
67
GLN
HE22
3.719
2
5319
109
GLN
HE22
3.85
1
16163
60
GLN
HE22
4.212
1
18211
7
GLN
HE22
4.36
2
11468
111
GLN
HE22
4.45
2
4371
8
GLN
HE22
4.671
.
6359
17
GLN
HE22
4.69
1
25404
16
GLN
HE22
4.76
2
5578
128
GLN
HE22
4.86
.
5319
129
GLN
HE22
4.91
1
19256
133
GLN
HE22
5.08472
.
17735
23
GLN
HE22
5.118
2
19431
28
GLN
HE22
5.134
2
16692
41
GLN
HE22
5.139
2
16689
174
GLN
HE22
5.147
2
18943
41
GLN
HE22
5.172
1
11086
116
GLN
HE22
5.197
2
5628
135
GLN
HE22
5.2
2
16084
14
GLN
HE22
5.21
2
6415
58
GLN
HE22
5.24
2
36084
34
GLN
HE22
5.257
2
18596
14
GLN
HE22
5.27
2
6058
5
GLN
HE22
5.29
2
25663
35
GLN
HE22
5.303
.
10264
71
GLN
HE22
5.317
2
18445
87
GLN
HE22
5.322
2
5048
129
GLN
HE22
5.33
1
15611
75
GLN
HE22
5.336
2
10144
62
GLN
HE22
5.356
2
5792
57
GLN
HE22
5.36
2
25839
27
GLN
HE22
5.365
1
11468
55
GLN
HE22
5.37
2
18853
47
GLN
HE22
5.378
1
11274
18
GLN
HE22
5.384
2
18853
60
GLN
HE22
5.414
1
10145
72
GLN
HE22
5.418
2
11549
54
GLN
HE22
5.423
1
5280
62
GLN
HE22
5.45
2
19518
10
GLN
HE22
5.456
1
4460
42
GLN
HE22
5.479
2
18954
45
GLN
HE22
5.503
1
6058
23
GLN
HE22
5.51
2
10194
37
GLN
HE22
5.52
2
15603
12
GLN
HE22
5.539
1
16412
32
GLN
HE22
5.542
2
17044
32
GLN
HE22
5.542
2
15611
98
GLN
HE22
5.555
2
17160
30
GLN
HE22
5.56
1
25839
142
GLN
HE22
5.584
1
19843
99
GLN
HE22
5.59
.
16411
32
GLN
HE22
5.591
2
6976
26
GLN
HE22
5.602
1
17636
80
GLN
HE22
5.617
1
6013
111
GLN
HE22
5.62
2
17277
69
GLN
HE22
5.624
1
18411
39
GLN
HE22
5.626
1
17637
58
GLN
HE22
5.634
1
26840
78
GLN
HE22
5.635
1
19354
70
GLN
HE22
5.64
2
18811
65
GLN
HE22
5.640388
1
10193
16
GLN
HE22
5.641
2
11525
82
GLN
HE22
5.649
1
15052
14
GLN
HE22
5.65
2
15053
14
GLN
HE22
5.65
2
11143
21
GLN
HE22
5.656
2
25127
105
GLN
HE22
5.658
1
15054
7
GLN
HE22
5.66
2
6540
62
GLN
HE22
5.665
1
4901
19
GLN
HE22
5.67
1
11265
45
GLN
HE22
5.68
2
25149
53
GLN
HE22
5.681
2
10073
44
GLN
HE22
5.683
2
6950
26
GLN
HE22
5.696
1
18364
16
GLN
HE22
5.706
2
16652
58
GLN
HE22
5.72
1
18095
30
GLN
HE22
5.721
2
18954
89
GLN
HE22
5.727
1