GLN NE2 Chemical Shift Outliers

___________________________________________________
GLN NE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13451
111.867
92.49
133.301
1.684


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25259
41
GLN
NE2
116.927
1
11591
41
GLN
NE2
116.968
1
25032
31
GLN
NE2
116.969
.
18193
40
GLN
NE2
116.977
1
19654
20
GLN
NE2
116.984
.
11091
72
GLN
NE2
116.991
1
16999
80
GLN
NE2
116.996
1
16498
53
GLN
NE2
117
1
4082
68
GLN
NE2
117
1
11041
118
GLN
NE2
117
1
6563
62
GLN
NE2
117.014
1
36162
38
GLN
NE2
117.021
1
6075
121
GLN
NE2
117.11
1
19776
70
GLN
NE2
117.15
.
19942
24
GLN
NE2
117.151
.
10298
48
GLN
NE2
117.176
1
11203
27
GLN
NE2
117.196
1
4344
2
GLN
NE2
117.2
1
5027
88
GLN
NE2
117.2
1
6309
97
GLN
NE2
117.2
1
5578
97
GLN
NE2
117.2
.
11298
31
GLN
NE2
117.243
1
5975
58
GLN
NE2
117.258
1
11237
58
GLN
NE2
117.299
1
17039
52
GLN
NE2
117.3
1
25909
33
GLN
NE2
117.305
1
5842
125
GLN
NE2
117.4
1
4156
36
GLN
NE2
117.4
1
10121
97
GLN
NE2
117.404
1
7204
58
GLN
NE2
117.411
1
7276
54
GLN
NE2
117.424
1
16569
33
GLN
NE2
117.481
1
18134
67
GLN
NE2
117.53
1
17288
42
GLN
NE2
117.579
1
18824
34
GLN
NE2
117.592
1
6114
95
GLN
NE2
117.6
1
16691
96
GLN
NE2
117.6
1
11076
125
GLN
NE2
117.61
1
4237
37
GLN
NE2
117.7
1
16801
63
GLN
NE2
117.7
1
19777
70
GLN
NE2
117.751
.
10071
68
GLN
NE2
117.762
1
2542
58
GLN
NE2
117.8
1
18710
20
GLN
NE2
117.839
.
17952
26
GLN
NE2
117.897
1
10057
121
GLN
NE2
117.959
1
15607
254
GLN
NE2
118.006
1
16689
69
GLN
NE2
118.017
1
5299
93
GLN
NE2
118.04
1
25564
95
GLN
NE2
118.047
1
11310
36
GLN
NE2
118.052
1
15126
44
GLN
NE2
118.054
1
18651
29
GLN
NE2
118.065
1
16572
37
GLN
NE2
118.1
1
16085
95
GLN
NE2
118.133
1
27643
49
GLN
NE2
118.188
.
16689
140
GLN
NE2
118.274
1
19984
65
GLN
NE2
118.3
1
18651
47
GLN
NE2
118.307
1
4217
71
GLN
NE2
118.31
1
6800
101
GLN
NE2
118.358
1
10188
24
GLN
NE2
118.399
1
4788
12
GLN
NE2
118.4
1
15020
111
GLN
NE2
118.456
1
16994
89
GLN
NE2
118.7
1
4382
52
GLN
NE2
118.73
1
16994
19
GLN
NE2
118.8
1
11544
58
GLN
NE2
118.829
1
4206
89
GLN
NE2
118.85
1
4463
17
GLN
NE2
118.87
1
6971
97
GLN
NE2
118.9
1
11146
93
GLN
NE2
119.166
1
27643
29
GLN
NE2
119.553
.
6603
92
GLN
NE2
119.577
1
4162
50
GLN
NE2
119.73
1
4827
16
GLN
NE2
119.8
.
4828
16
GLN
NE2
119.85
.
19431
19
GLN
NE2
119.89
1
11104
70
GLN
NE2
119.937
1
5558
18
GLN
NE2
120.125
1
17137
65
GLN
NE2
120.4
1
34009
64
GLN
NE2
120.709
.
27608
55
GLN
NE2
121.696
.
10149
70
GLN
NE2
121.959
1
11143
70
GLN
NE2
122.054
1
5355
156
GLN
NE2
122.152
1
4101
71
GLN
NE2
122.3
1
18394
73
GLN
NE2
122.349
1
5224
35
GLN
NE2
122.4
1
18651
66
GLN
NE2
122.656
1
5887
101
GLN
NE2
122.8
1
5888
101
GLN
NE2
122.9
1
7219
161
GLN
NE2
124.302
1
18283
52
GLN
NE2
125.331
1
27467
50
GLN
NE2
129.213
.
5044
5
GLN
NE2
133.301
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15603
56
GLN
NE2
100.104
1
16101
52
GLN
NE2
101.3
1
11256
48
GLN
NE2
101.576
1
5578
108
GLN
NE2
102
.
16880
41
GLN
NE2
102.037
1
16885
41
GLN
NE2
102.045
1
11263
48
GLN
NE2
102.08
1
7002
41
GLN
NE2
102.78
1
18416
62
GLN
NE2
102.8
.
25914
56
GLN
NE2
102.878
1
10112
57
GLN
NE2
103.236
1
6631
52
GLN
NE2
103.32
1
25839
142
GLN
NE2
103.327
1
11279
48
GLN
NE2
103.4
1
26805
148
GLN
NE2
103.498
.
4493
41
GLN
NE2
103.64
1
34106
43
GLN
NE2
103.706
.
19518
10
GLN
NE2
103.754
1
4663
41
GLN
NE2
103.9
1
30275
41
GLN
NE2
104.017
1
5404
50
GLN
NE2
104.023
1
17906
29
GLN
NE2
104.025
1
6159
138
GLN
NE2
104.084
1
17017
41
GLN
NE2
104.1
1
18853
60
GLN
NE2
104.104
1
6457
41
GLN
NE2
104.17
.
16228
41
GLN
NE2
104.238
1
19394
44
GLN
NE2
104.25
1
16355
51
GLN
NE2
104.3
1
25230
43
GLN
NE2
104.344
1
4769
41
GLN
NE2
104.37
1
25545
41
GLN
NE2
104.376
1
25545
41
GLN
NE2
104.376
1
18364
16
GLN
NE2
104.398
1
16652
58
GLN
NE2
104.4
1
11266
50
GLN
NE2
104.428
1
30300
41
GLN
NE2
104.44
1
30477
51
GLN
NE2
104.455
.
5387
41
GLN
NE2
104.5
1
18411
39
GLN
NE2
104.556
1
11064
24
GLN
NE2
104.6
1
11028
24
GLN
NE2
104.6
1
11594
55
GLN
NE2
104.609
1
17370
52
GLN
NE2
104.7
1
5048
129
GLN
NE2
104.8
1
17176
53
GLN
NE2
104.8
1
36101
55
GLN
NE2
104.801
1
11073
75
GLN
NE2
104.807
1
16021
75
GLN
NE2
104.811
1
18415
47
GLN
NE2
105.038
1
36013
55
GLN
NE2
105.103
1
7025
9
GLN
NE2
105.139
1
16561
79
GLN
NE2
105.265
1
4384
180
GLN
NE2
105.343
1
4593
5
GLN
NE2
105.35
1
17729
32
GLN
NE2
105.358
1
19431
28
GLN
NE2
105.4
1
5319
129
GLN
NE2
105.4
1
5326
52
GLN
NE2
105.4
1
6933
59
GLN
NE2
105.403
1
36084
34
GLN
NE2
105.49
1
16084
14
GLN
NE2
105.5
1
4918
11
GLN
NE2
105.5
1
4055
18
GLN
NE2
105.6
1
16014
17
GLN
NE2
105.66
.
27045
43
GLN
NE2
105.7
1
17835
30
GLN
NE2
105.739
1
25828
81
GLN
NE2
105.78
1
283
78
GLN
NE2
105.8
1
7111
41
GLN
NE2
105.8
1
284
77
GLN
NE2
105.8
1
11311
99
GLN
NE2
105.893
1
18312
62
GLN
NE2
105.9
1
16630
170
GLN
NE2
105.928
1
25556
29
GLN
NE2
105.93
1
18466
94
GLN
NE2
105.965
1
11202
64
GLN
NE2
105.991
1
25833
81
GLN
NE2
106
1
4737
79
GLN
NE2
106.05
1
6152
21
GLN
NE2
106.058
.
18000
29
GLN
NE2
106.09
1
6894
53
GLN
NE2
106.1
1
19799
44
GLN
NE2
106.126
1
10068
37
GLN
NE2
106.138
1
19921
53
GLN
NE2
106.15
1
15485
93
GLN
NE2
106.176
.
11084
39
GLN
NE2
106.188
1
6125
85
GLN
NE2
106.2
1
16733
84
GLN
NE2
106.26
1
16772
67
GLN
NE2
106.283
1
7111
31
GLN
NE2
106.3
1
16329
83
GLN
NE2
106.31
1
25796
47
GLN
NE2
106.31
1
25839
27
GLN
NE2
106.318
1
15564
52
GLN
NE2
106.334
1
15411
74
GLN
NE2
106.335
1
15356
92
GLN
NE2
106.35
1
19736
108
GLN
NE2
106.369
1
27130
17
GLN
NE2
106.38
1
15094
73
GLN
NE2
106.39
1
18375
60
GLN
NE2
106.39
1
6058
23
GLN
NE2
106.4
1
15603
12
GLN
NE2
106.419
1
10024
57
GLN
NE2
106.43
1
17045
65
GLN
NE2
106.451
1
10145
72
GLN
NE2
106.468
1
30477
20
GLN
NE2
106.477
.
16015
59
GLN
NE2
106.482
1
10097
28
GLN
NE2
106.494
1
18533
29
GLN
NE2
106.5
1
6875
62
GLN
NE2
106.5
1
5393
137
GLN
NE2
106.538
1
15611
75
GLN
NE2
106.557
1
11549
54
GLN
NE2
106.571
1
15259
29
GLN
NE2
106.577
1
19325
95
GLN
NE2
106.6
1
15960
56
GLN
NE2
106.6
.
15783
56
GLN
NE2
106.6
.
25076
41
GLN
NE2
106.642
1
11078
89
GLN
NE2
106.678
1
6840
68
GLN
NE2
106.7
1
18154
29
GLN
NE2
106.7
1
17685
55
GLN
NE2
106.719
1
4136
49
GLN
NE2
106.8
1
4116
73
GLN
NE2
92.49
1
5048
109
GLN
NE2
97.9
1
5319
109
GLN
NE2
98.7
1