GLN HG2 Chemical Shift Outliers

___________________________________________________
GLN HG2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20387
2.314
-.212
4.44
0.262


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1071
14
GLN
HG2
3.11
1
4850
54
GLN
HG2
3.12
2
16841
152
GLN
HG2
3.12
2
27048
63
GLN
HG2
3.128
2
5679
32
GLN
HG2
3.14
2
5982
85
GLN
HG2
3.14
.
15069
17
GLN
HG2
3.142
2
11299
9
GLN
HG2
3.148
1
17551
51
GLN
HG2
3.148
2
6849
8
GLN
HG2
3.15
2
4241
39
GLN
HG2
3.165
1
5561
22
GLN
HG2
3.17
2
16841
179
GLN
HG2
3.18
2
11299
51
GLN
HG2
3.183
2
19914
5
GLN
HG2
3.188
.
19178
59
GLN
HG2
3.202
1
11298
24
GLN
HG2
3.206
2
25954
15
GLN
HG2
3.209
.
16555
12
GLN
HG2
3.212
1
18546
29
GLN
HG2
3.237
2
7102
21
GLN
HG2
3.24
2
18684
7
GLN
HG2
3.254
2
4998
60
GLN
HG2
3.26
1
5349
48
GLN
HG2
3.26
2
6147
95
GLN
HG2
3.261
1
11298
31
GLN
HG2
3.268
2
6799
15
GLN
HG2
3.27
2
5943
55
GLN
HG2
3.273
1
2956
55
GLN
HG2
3.28
1
18130
38
GLN
HG2
3.284
2
27477
27
GLN
HG2
3.297
2
11295
13
GLN
HG2
3.297
2
27411
50
GLN
HG2
3.31
2
11299
20
GLN
HG2
3.338
2
15280
78
GLN
HG2
3.362
1
11569
90
GLN
HG2
3.362
2
18533
29
GLN
HG2
3.38
2
16016
29
GLN
HG2
3.471
2
6147
93
GLN
HG2
3.654
1
4336
32
GLN
HG2
3.66
1
25001
31
GLN
HG2
3.69
.
19626
32
GLN
HG2
3.899
2
16748
43
GLN
HG2
4.44
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18853
47
GLN
HG2
-.111
2
34178
29
GLN
HG2
-.212
2
5880
80
GLN
HG2
.043
1
4918
11
GLN
HG2
.06
2
15723
91
GLN
HG2
.065
2
19653
33
GLN
HG2
.086
1
15126
22
GLN
HG2
.093
2
5299
63
GLN
HG2
.13
2
5280
62
GLN
HG2
.13
2
18846
33
GLN
HG2
.144
2
10193
54
GLN
HG2
.193
2
16684
62
GLN
HG2
.2189374
2
18845
33
GLN
HG2
.22
2
5792
57
GLN
HG2
.22
2
4639
47
GLN
HG2
.247
1
374
49
GLN
HG2
.26
2
80
46
GLN
HG2
.27
2
17585
96
GLN
HG2
.3
2
15707
14
GLN
HG2
.354
2
16163
60
GLN
HG2
.365
1
6152
20
GLN
HG2
.367
.
4161
14
GLN
HG2
.37
2
5224
90
GLN
HG2
.38
2
19413
75
GLN
HG2
.427
2
11085
19
GLN
HG2
.448
2
5105
20
GLN
HG2
.49
2
15807
96
GLN
HG2
.496
2
18053
101
GLN
HG2
.501
2
6419
33
GLN
HG2
.51
1
11345
85
GLN
HG2
.58
2
18569
74
GLN
HG2
.629
2
26909
99
GLN
HG2
.656
2
5820
43
GLN
HG2
.657
.
11490
125
GLN
HG2
.658
1
16336
54
GLN
HG2
.66
2
16885
29
GLN
HG2
.703
2
27666
155
GLN
HG2
.705
2
375
49
GLN
HG2
.71
2
26026
82
GLN
HG2
.717
.
1061
116
GLN
HG2
.72
2
1062
115
GLN
HG2
.72
2
6123
20
GLN
HG2
.728
1
6322
7
GLN
HG2
.73
1
19807
21
GLN
HG2
.731
2
10194
37
GLN
HG2
.763
2
6647
17
GLN
HG2
.777
2
6287
64
GLN
HG2
.781
2
16572
91
GLN
HG2
.784
2
15642
72
GLN
HG2
.79
2
11376
86
GLN
HG2
.801
2
5804
58
GLN
HG2
.82
2
5068
58
GLN
HG2
.82
2
7160
57
GLN
HG2
.82
.
5794
36
GLN
HG2
.826
2
5145
63
GLN
HG2
.84
2
11583
4
GLN
HG2
.856
2
11078
34
GLN
HG2
.857
2
15611
98
GLN
HG2
.865
2
5364
17
GLN
HG2
.87
2
16607
91
GLN
HG2
.882
2
6635
93
GLN
HG2
.899
2
11265
45
GLN
HG2
.9
2
18882
83
GLN
HG2
.906
.
19654
140
GLN
HG2
.926
.
17479
54
GLN
HG2
.929
2
16882
81
GLN
HG2
.947
2
4827
85
GLN
HG2
.95
.
15740
91
GLN
HG2
.968
1
5285
42
GLN
HG2
.97
1
4860
98
GLN
HG2
.97
2
17082
99
GLN
HG2
.972
2
19525
29
GLN
HG2
.972
2
5866
63
GLN
HG2
.98
2
4821
136
GLN
HG2
.981
1
10149
21
GLN
HG2
.983
2
10270
86
GLN
HG2
.984
1
17691
18
GLN
HG2
.984
2
2077
43
GLN
HG2
.99
2
6807
86
GLN
HG2
.994
1
196
7
GLN
HG2
1
2
19462
93
GLN
HG2
1.003
2
36052
7
GLN
HG2
1.003
2
25352
7
GLN
HG2
1.0044
2
11160
54
GLN
HG2
1.008
2
10115
41
GLN
HG2
1.013
2
5223
36
GLN
HG2
1.014
.
11087
46
GLN
HG2
1.016
2
18596
14
GLN
HG2
1.02
2
4848
218
GLN
HG2
1.02
.
7287
21
GLN
HG2
1.025
1
36053
7
GLN
HG2
1.029
2
15664
55
GLN
HG2
1.03
2
15683
6
GLN
HG2
1.03
2
1378
43
GLN
HG2
1.03
2
6058
48
GLN
HG2
1.03
1
5833
111
GLN
HG2
1.03
2
36054
7
GLN
HG2
1.039
2
15627
40
GLN
HG2
1.042
2
36050
7
GLN
HG2
1.042
2
36051
7
GLN
HG2
1.044
2
17274
71
GLN
HG2
1.046
2
19461
93
GLN
HG2
1.047
2
1377
43
GLN
HG2
1.05
2
192
7
GLN
HG2
1.05
2
2078
43
GLN
HG2
1.05
2
6406
37
GLN
HG2
1.06
2
16722
53
GLN
HG2
1.062
2
10333
105
GLN
HG2
1.063
2
36056
7
GLN
HG2
1.063
2
16310
42
GLN
HG2
1.067
1
11337
97
GLN
HG2
1.07
2
15816
32
GLN
HG2
1.07
2
17729
32
GLN
HG2
1.075
2
36055
7
GLN
HG2
1.077
2
27536
37
GLN
HG2
1.08
2
5928
89
GLN
HG2
1.09
2
2060
71
GLN
HG2
1.09
2
30491
69
GLN
HG2
1.095
2
5512
42
GLN
HG2
1.099
2
11257
70
GLN
HG2
1.099
2
5203
15
GLN
HG2
1.1
2
10278
17
GLN
HG2
1.111
2
27477
13
GLN
HG2
1.113
2
6333
25
GLN
HG2
1.122
2
17006
91
GLN
HG2
1.124
2
19287
25
GLN
HG2
1.126
2
15419
21
GLN
HG2
1.129
2
19846
4
GLN
HG2
1.131437
.
15424
116
GLN
HG2
1.138
1
15028
121
GLN
HG2
1.139
2
36101
19
GLN
HG2
1.14
2
15854
42
GLN
HG2
1.14
2
25984
53
GLN
HG2
1.142
.
25893
117
GLN
HG2
1.144
2
16424
33
GLN
HG2
1.15
2
16082
41
GLN
HG2
1.151
2
6147
51
GLN
HG2
1.16
1
6207
13
GLN
HG2
1.16
1
10006
48
GLN
HG2
1.161
1
16926
36
GLN
HG2
1.17
.
36012
55
GLN
HG2
1.177
2
18399
53
GLN
HG2
1.177
2
30139
103
GLN
HG2
1.18
2
4879
71
GLN
HG2
1.18
1
11549
55
GLN
HG2
1.185
1
17157
82
GLN
HG2
1.186
2
34247
143
GLN
HG2
1.188
2
6125
85
GLN
HG2
1.19
2
17622
28
GLN
HG2
1.205
2
30066
13
GLN
HG2
1.205
.
19319
32
GLN
HG2
1.21
2
5232
117
GLN
HG2
1.21
1
5145
92
GLN
HG2
1.21
2
4510
22
GLN
HG2
1.21
2
7179
74
GLN
HG2
1.21
2
15757
15
GLN
HG2
1.21
2
5973
39
GLN
HG2
1.211
.
16425
70
GLN
HG2
1.214
2
11280
49
GLN
HG2
1.218
2
4206
89
GLN
HG2
1.22
2
10136
48
GLN
HG2
1.228
2
18087
48
GLN
HG2
1.228
2
15339
26
GLN
HG2
1.229
2
15893
74
GLN
HG2
1.229
2
19554
164
GLN
HG2
1.23
2
19624
70
GLN
HG2
1.234
2
4371
8
GLN
HG2
1.235
.
18592
28
GLN
HG2
1.24
2
11139
85
GLN
HG2
1.241
2
7058
25
GLN
HG2
1.242
1
6751
22
GLN
HG2
1.246
2
34058
32
GLN
HG2
1.25
2
30327
28
GLN
HG2
1.254
1
6760
111
GLN
HG2
1.26
2
5912
74
GLN
HG2
1.261
2
19354
70
GLN
HG2
1.265
2
5122
52
GLN
HG2
1.269
1
5121
53
GLN
HG2
1.27
1
17623
28
GLN
HG2
1.274
2
17711
12
GLN
HG2
1.2742
2
11591
41
GLN
HG2
1.278
1
4342
60
GLN
HG2
1.28
2
4938
60
GLN
HG2
1.28
2
6403
54
GLN
HG2
1.28
2
18141
18
GLN
HG2
1.28
2
6904
84
GLN
HG2
1.28
1
34043
23
GLN
HG2
1.282
2
20032
1
GLN
HG2
1.283
2
19530
61
GLN
HG2
1.285
.
17490
88
GLN
HG2
1.288
2
34248
143
GLN
HG2
1.288
2
4297
53
GLN
HG2
1.29
1
4737
38
GLN
HG2
1.296
1
17753
51
GLN
HG2
1.297
2
5404
50
GLN
HG2
1.299
2
16652
50
GLN
HG2
1.3
1
36101
68
GLN
HG2
1.301
2
11062
131
GLN
HG2
1.303
2
10144
62
GLN
HG2
1.312
2
25740
22
GLN
HG2
1.312
2
18943
41
GLN
HG2
1.315
2
7310
63
GLN
HG2
1.317
2
16572
37
GLN
HG2
1.32
2
17104
41
GLN
HG2
1.32
2
5879
72
GLN
HG2
1.32
2
5187
44
GLN
HG2
1.32
2
34055
24
GLN
HG2
1.321
1
36058
27
GLN
HG2
1.322
2
19047
20
GLN
HG2
1.326
1
11450
48
GLN
HG2
1.328
2
25983
53
GLN
HG2
1.331
.
19047
20
GLN
HG2
1.334
1
15348
26
GLN
HG2
1.335
2
36084
98
GLN
HG2
1.339
2
5378
54
GLN
HG2
1.34
2
34080
33
GLN
HG2
1.342
2
15988
84
GLN
HG2
1.343
2
19048
20
GLN
HG2
1.36
1
6929
54
GLN
HG2
1.362
1
18604
49
GLN
HG2
1.363
1
34041
69
GLN
HG2
1.364
1
6933
59
GLN
HG2
1.365
1
6159
124
GLN
HG2
1.366
2
7118
23
GLN
HG2
1.369
.
58
8
GLN
HG2
1.37
2
7193
68
GLN
HG2
1.375
2
16163
99
GLN
HG2
1.376
1
5578
128
GLN
HG2
1.38
.
6639
17
GLN
HG2
1.38
2
25172
153
GLN
HG2
1.381
2
25961
30
GLN
HG2
1.381
.
34058
69
GLN
HG2
1.381
2
15424
2
GLN
HG2
1.382
2
6903
84
GLN
HG2
1.385
1
17381
70
GLN
HG2
1.387
2
19431
62
GLN
HG2
1.387
2
6226
93
GLN
HG2
1.39
2
6322
74
GLN
HG2
1.39
1
11507
48
GLN
HG2
1.392
1
17521
86
GLN
HG2
1.395
2
16442
11
GLN
HG2
1.395
2
10047
26
GLN
HG2
1.395
2
25834
125
GLN
HG2
1.398
2
17370
107
GLN
HG2
1.4
2
16874
129
GLN
HG2
1.4
2
18535
81
GLN
HG2
1.4
2
4082
17
GLN
HG2
1.4
1
18134
43
GLN
HG2
1.4
2
17622
76
GLN
HG2
1.401
2
6075
121
GLN
HG2
1.41
1
4982
49
GLN
HG2
1.41
1
6002
53
GLN
HG2
1.416
2
10081
39
GLN
HG2
1.418
2
10145
72
GLN
HG2
1.418
2
30139
78
GLN
HG2
1.42
1
5031
32
GLN
HG2
1.42
2
18095
30
GLN
HG2
1.421
2
18613
160
GLN
HG2
1.428
2
11202
64
GLN
HG2
1.428
2
36084
20
GLN
HG2
1.429
2
16720
68
GLN
HG2
1.431
2
17623
76
GLN
HG2
1.433
2
6766
32
GLN
HG2
1.437
1
25138
10
GLN
HG2
1.44
1
27524
31
GLN
HG2
1.442
1
6287
14
GLN
HG2
1.442
2
25869
140
GLN
HG2
1.444
2
26650
4
GLN
HG2
1.444
.
15611
75
GLN
HG2
1.445
2
15369
243
GLN
HG2
1.445
2
18047
36
GLN
HG2
1.446
2
27170
121
GLN
HG2
1.447
1
30492
69
GLN
HG2
1.447
2
11388
28
GLN
HG2
1.448
2
6894
53
GLN
HG2
1.45
2
4434
85
GLN
HG2
1.45
2
4379
54
GLN
HG2
1.45
2
4402
152
GLN
HG2
1.45
2
19801
92
GLN
HG2
1.454
2
19297
58
GLN
HG2
1.457
1
5027
88
GLN
HG2
1.46
2
11389
25
GLN
HG2
1.461
2
6147
55
GLN
HG2
1.462
1
25401
69
GLN
HG2
1.465
.
30445
69
GLN
HG2
1.465
2
16305
83
GLN
HG2
1.467
2
18899
40
GLN
HG2
1.468
2
16606
39
GLN
HG2
1.47
2
7330
8
GLN
HG2
1.47
.
16463
43
GLN
HG2
1.472
2
19429
5
GLN
HG2
1.472
.
15700
61
GLN
HG2
1.479
2
7105
19
GLN
HG2
1.48
2
18415
11
GLN
HG2
1.48
2
6193
62
GLN
HG2
1.48
1
7082
35
GLN
HG2
1.48
2
19427
68
GLN
HG2
1.482
2
11246
51
GLN
HG2
1.486
2
11136
58
GLN
HG2
1.488
2
25914
61
GLN
HG2
1.489
2
5274
12
GLN
HG2
1.49
1
11250
40
GLN
HG2
1.49
2
17160
30
GLN
HG2
1.49
2
27536
85
GLN
HG2
1.49
2
25343
42
GLN
HG2
1.49
1
5862
11
GLN
HG2
1.49
1
15988
96
GLN
HG2
1.492
2
17960
92
GLN
HG2
1.498
2
15846
14
GLN
HG2
1.5
2
17176
108
GLN
HG2
1.5
2
6199
155
GLN
HG2
1.5
2
15750
6
GLN
HG2
1.5
2
27259
83
GLN
HG2
1.501
2
19579
122
GLN
HG2
1.501
2
18883
159
GLN
HG2
1.504
.
17780
97
GLN
HG2
1.506
2
18004
40
GLN
HG2
1.508
2
5701
81
GLN
HG2
1.508
2
4981
17
GLN
HG2
1.51
2
4965
29
GLN
HG2
1.51
2
15448
49
GLN
HG2
1.51
2
17936
36
GLN
HG2
1.51
2
27264
83
GLN
HG2
1.51
2
25514
94
GLN
HG2
1.511
.
16355
44
GLN
HG2
1.512
2
16607
39
GLN
HG2
1.517
2
5211
58
GLN
HG2
1.519
.
34246
49
GLN
HG2
1.519
1
11143
21
GLN
HG2
1.52
2
1500
6
GLN
HG2
1.52
2
10112
57
GLN
HG2
1.521
2
16058
91
GLN
HG2
1.521
2
16001
56
GLN
HG2
1.521
2
25210
91
GLN
HG2
1.524
2
26025
54
GLN
HG2
1.524
1
18292
10
GLN
HG2
1.525
2
25612
24
GLN
HG2
1.525
2
16670
60
GLN
HG2
1.525
1
25831
35
GLN
HG2
1.525
2
25914
56
GLN
HG2
1.526
2