GLN HB2 Chemical Shift Outliers

___________________________________________________
GLN HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29126
2.042
-1.514
10.461
0.277


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
HB2
10.461
.
25854
164
GLN
HB2
10.461
.
4997
5
GLN
HB2
2.88
2
11078
89
GLN
HB2
2.881
2
7095
59
GLN
HB2
2.886
1
17725
88
GLN
HB2
2.893
1
15378
81
GLN
HB2
2.899
2
4840
92
GLN
HB2
2.9
2
17425
53
GLN
HB2
2.9067
1
11298
24
GLN
HB2
2.913
1
6971
131
GLN
HB2
2.92
2
11299
51
GLN
HB2
2.92
2
18578
77
GLN
HB2
2.93
2
7159
57
GLN
HB2
2.93
.
5069
58
GLN
HB2
2.93
2
15229
91
GLN
HB2
2.944
.
15356
92
GLN
HB2
2.945
2
36061
84
GLN
HB2
2.946
1
5596
69
GLN
HB2
2.947
2
16306
44
GLN
HB2
2.96
2
16252
50
GLN
HB2
2.961
2
15576
24
GLN
HB2
2.966
2
16318
41
GLN
HB2
2.98
1
17853
184
GLN
HB2
2.982
1
15584
102
GLN
HB2
3.004
2
17880
73
GLN
HB2
3.006
2
4181
61
GLN
HB2
3.021
.
15765
34
GLN
HB2
3.029
1
131
21
GLN
HB2
3.03
1
11299
9
GLN
HB2
3.034
2
16024
61
GLN
HB2
3.036
2
4636
100
GLN
HB2
3.04
.
4038
65
GLN
HB2
3.04
1
18048
7
GLN
HB2
3.05
2
11299
20
GLN
HB2
3.056
2
16306
70
GLN
HB2
3.07
2
15555
2
GLN
HB2
3.077
1
11298
31
GLN
HB2
3.101
1
15930
73
GLN
HB2
3.109
1
15063
3
GLN
HB2
3.122
2
18154
143
GLN
HB2
3.17
2
16307
42
GLN
HB2
3.17
1
16306
42
GLN
HB2
3.17
2
11298
40
GLN
HB2
3.174
2
16307
70
GLN
HB2
3.2
1
27062
31
GLN
HB2
3.213
2
4435
45
GLN
HB2
3.22
1
19152
143
GLN
HB2
3.22
.
5269
43
GLN
HB2
3.24
1
5269
47
GLN
HB2
3.25
1
25659
33
GLN
HB2
3.251
2
25668
36
GLN
HB2
3.252
2
17226
82
GLN
HB2
3.263
2
16124
34
GLN
HB2
3.273
2
25659
17
GLN
HB2
3.276
2
16306
46
GLN
HB2
3.35
1
16307
46
GLN
HB2
3.35
2
4435
40
GLN
HB2
3.42
2
25588
135
GLN
HB2
3.479
2
6799
15
GLN
HB2
3.49
2
17226
58
GLN
HB2
3.547
2
6634
16
GLN
HB2
3.55
2
5625
16
GLN
HB2
3.56
2
26509
26
GLN
HB2
3.617
1
6967
18
GLN
HB2
3.69
2
16905
43
GLN
HB2
3.79
2
5410
9
GLN
HB2
3.863
2
4155
59
GLN
HB2
4
2
19854
84
GLN
HB2
4.014
2
5172
47
GLN
HB2
4.8
2
5239
16
GLN
HB2
5.18
4


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5545
67
GLN
HB2
-.07
2
15988
96
GLN
HB2
-.096
2
17585
96
GLN
HB2
-.11
2
6910
81
GLN
HB2
-.12
1
7097
41
GLN
HB2
-.12
.
10120
117
GLN
HB2
-.123
2
15063
56
GLN
HB2
-.134
2
6344
80
GLN
HB2
-.14
2
15996
15
GLN
HB2
-.164
2
18942
75
GLN
HB2
-.187
2
4311
138
GLN
HB2
-.216
1
17754
37
GLN
HB2
-.34
2
10279
21
GLN
HB2
-.378
2
5261
82
GLN
HB2
-.467
2
5365
61
GLN
HB2
-.647
2
15152
8
GLN
HB2
-.653
2
4087
67
GLN
HB2
-.7
2
11469
26
GLN
HB2
-.969
2
11422
26
GLN
HB2
-1.13
2
15509
56
GLN
HB2
-1.14
2
6330
35
GLN
HB2
-1.34
1
36048
22
GLN
HB2
-1.514
.
18439
115
GLN
HB2
.065
2
19738
115
GLN
HB2
.065
2
30206
100
GLN
HB2
.066
2
15509
19
GLN
HB2
.07
2
16555
12
GLN
HB2
.072
1
15642
72
GLN
HB2
.08
2
4593
5
GLN
HB2
.093
2
7004
17
GLN
HB2
.1
2
126
60
GLN
HB2
.1
2
16563
41
GLN
HB2
.116
2
17307
29
GLN
HB2
.126
2
30242
2
GLN
HB2
.132
2
16745
6
GLN
HB2
.155
1
7137
53
GLN
HB2
.16
2
11333
98
GLN
HB2
.164
2
19508
41
GLN
HB2
.185
2
4786
100
GLN
HB2
.2
2
16082
41
GLN
HB2
.241
2
34219
145
GLN
HB2
.253
2
18853
47
GLN
HB2
.255
2
26909
99
GLN
HB2
.275
1
5261
57
GLN
HB2
.279
1
11270
58
GLN
HB2
.296
2
26577
82
GLN
HB2
.297
2
36084
79
GLN
HB2
.305
2
18404
30
GLN
HB2
.31
1
34218
145
GLN
HB2
.35
2
5027
88
GLN
HB2
.35
2
11594
68
GLN
HB2
.356
1
7166
47
GLN
HB2
.367
2
11345
85
GLN
HB2
.397
2
34285
53
GLN
HB2
.399
.
6419
33
GLN
HB2
.4
1
11265
45
GLN
HB2
.407
2
6453
47
GLN
HB2
.41
2
7219
135
GLN
HB2
.41
2
36013
19
GLN
HB2
.416
2
4436
40
GLN
HB2
.43
2
5224
90
GLN
HB2
.43
2
11594
19
GLN
HB2
.433
1
18053
101
GLN
HB2
.437
2
11578
19
GLN
HB2
.451
2
4959
123
GLN
HB2
.465
2
27439
35
GLN
HB2
.465
2
18758
58
GLN
HB2
.47
2
6359
46
GLN
HB2
.474
2
6990
118
GLN
HB2
.487
2
16098
109
GLN
HB2
.491
2
18728
37
GLN
HB2
.492
2
34079
36
GLN
HB2
.5
1
18135
62
GLN
HB2
.514
2
11181
66
GLN
HB2
.529
2
15265
25
GLN
HB2
.53
2
11152
93
GLN
HB2
.546
2
4153
59
GLN
HB2
.56
2
4900
43
GLN
HB2
.56
2
18404
105
GLN
HB2
.56
1
16680
73
GLN
HB2
.567
2
19947
41
GLN
HB2
.57
2
19963
41
GLN
HB2
.57
2
19210
34
GLN
HB2
.574
2
25127
175
GLN
HB2
.587
2
6711
114
GLN
HB2
.59
1
25984
53
GLN
HB2
.605
.
25342
57
GLN
HB2
.605
2
7127
50
GLN
HB2
.61
1
11578
68
GLN
HB2
.613
1
19178
92
GLN
HB2
.616
2
17816
41
GLN
HB2
.617
1
19846
4
GLN
HB2
.62764
.
4901
19
GLN
HB2
.63
1
7150
46
GLN
HB2
.64
1
6295
139
GLN
HB2
.65
1
11233
46
GLN
HB2
.654
2
11272
21
GLN
HB2
.674
2
18596
14
GLN
HB2
.68
2
25343
42
GLN
HB2
.684
1
17838
134
GLN
HB2
.69
2
5397
10
GLN
HB2
.69
1
2999
47
GLN
HB2
.69
1
5225
54
GLN
HB2
.69
1
4084
36
GLN
HB2
.7
1
6361
64
GLN
HB2
.704
2
17729
32
GLN
HB2
.71
2
17038
5
GLN
HB2
.71
2
6343
60
GLN
HB2
.71
2
4560
86
GLN
HB2
.73
2
4464
5
GLN
HB2
.73
1
7395
43
GLN
HB2
.732
.
26818
63
GLN
HB2
.732
2
4682
45
GLN
HB2
.74
.
7206
15
GLN
HB2
.744
1
4788
24
GLN
HB2
.75
1
17799
41
GLN
HB2
.756
2
34140
77
GLN
HB2
.757
2
15807
96
GLN
HB2
.757
2
5745
53
GLN
HB2
.76
2
17729
24
GLN
HB2
.769
2
25324
75
GLN
HB2
.774
2
25306
76
GLN
HB2
.774
2
6331
16
GLN
HB2
.774
2
30066
13
GLN
HB2
.78
.
11559
63
GLN
HB2
.783
2
25983
53
GLN
HB2
.785
.
10125
82
GLN
HB2
.788
2
36014
63
GLN
HB2
.791
2
25508
46
GLN
HB2
.798
2
15270
104
GLN
HB2
.798
2
4681
45
GLN
HB2
.8
.
11560
63
GLN
HB2
.807
2
5194
134
GLN
HB2
.81
2
17136
99
GLN
HB2
.821
2
15369
243
GLN
HB2
.822
2
7053
57
GLN
HB2
.83
2
4469
5
GLN
HB2
.83
1
25306
9
GLN
HB2
.831
2
16863
11
GLN
HB2
.831
2
25324
8
GLN
HB2
.831
2
15585
61
GLN
HB2
.832
2
19045
136
GLN
HB2
.837
2
11587
63
GLN
HB2
.842
2
4150
44
GLN
HB2
.85
.
6571
44
GLN
HB2
.853
2
11588
63
GLN
HB2
.854
2
15757
15
GLN
HB2
.86
2
58
8
GLN
HB2
.86
2
4259
47
GLN
HB2
.86
1
16353
17
GLN
HB2
.863
2
19094
22
GLN
HB2
.8649
2
36084
98
GLN
HB2
.868
2
5492
47
GLN
HB2
.87
1
11125
79
GLN
HB2
.88
2
5597
47
GLN
HB2
.88
1
30186
64
GLN
HB2
.883
2
6821
153
GLN
HB2
.898
.
36026
15
GLN
HB2
.899
2
6851
49
GLN
HB2
.903
.
10254
82
GLN
HB2
.914
2
17104
41
GLN
HB2
.915
2
11487
14
GLN
HB2
.916
2
17192
42
GLN
HB2
.917
2
17006
54
GLN
HB2
.917
2
5630
124
GLN
HB2
.92
2
4681
45
GLN
HB2
.92
.
26582
82
GLN
HB2
.922
2
11168
24
GLN
HB2
.923
2
6990
39
GLN
HB2
.929
2
16572
91
GLN
HB2
.929
2
5862
89
GLN
HB2
.93
1
19921
53
GLN
HB2
.93
1
4682
45
GLN
HB2
.94
.
19248
30
GLN
HB2
.944
.
10174
24
GLN
HB2
.949
2
34329
65
GLN
HB2
.949
1
4081
62
GLN
HB2
.95
1
15063
199
GLN
HB2
.952
2
6903
84
GLN
HB2
.956
1
5595
37
GLN
HB2
.96
2
5792
57
GLN
HB2
.96
2
19735
76
GLN
HB2
.96
2
15339
26
GLN
HB2
.962
2
26780
145
GLN
HB2
.968
2
2278
105
GLN
HB2
.97
1
4154
105
GLN
HB2
.97
1
4117
81
GLN
HB2
.97
2
17585
110
GLN
HB2
.97
2
15288
14
GLN
HB2
.97
2
34294
82
GLN
HB2
.974
.
7061
45
GLN
HB2
.98
.
1061
116
GLN
HB2
.98
2
434
116
GLN
HB2
.98
2
4818
140
GLN
HB2
.98
1
1062
115
GLN
HB2
.98
2
11274
18
GLN
HB2
.99
2
30
46
GLN
HB2
.99
2
15084
42
GLN
HB2
.991
2
15578
344
GLN
HB2
.994
1
6904
84
GLN
HB2
1
1
15802
19
GLN
HB2
1
2
6177
86
GLN
HB2
1
2
17683
74
GLN
HB2
1.003
2
11112
72
GLN
HB2
1.006
2
5346
28
GLN
HB2
1.01
1
6760
111
GLN
HB2
1.01
2
18004
40
GLN
HB2
1.015
2
25514
94
GLN
HB2
1.016
.
30585
24
GLN
HB2
1.016
.
16564
40
GLN
HB2
1.02
2
18388
130
GLN
HB2
1.023
2
4234
32
GLN
HB2
1.0267
2
4234
28
GLN
HB2
1.0298
2
18578
60
GLN
HB2
1.031
2
10313
82
GLN
HB2
1.032
2
15356
37
GLN
HB2
1.032
2
17509
129
GLN
HB2
1.036
2
15542
117
GLN
HB2
1.037
2
11087
46
GLN
HB2
1.038
2
16677
62
GLN
HB2
1.041
2
25690
123
GLN
HB2
1.043
2
7414
172
GLN
HB2
1.043
1
10076
105
GLN
HB2
1.045
2
18167
15
GLN
HB2
1.048
2
4100
52
GLN
HB2
1.05
1
7382
21
GLN
HB2
1.052
.
5794
36
GLN
HB2
1.053
2
18919
54
GLN
HB2
1.053
.
4939
29
GLN
HB2
1.053
2
18087
48
GLN
HB2
1.055
2
19219
40
GLN
HB2
1.055
2
15700
99
GLN
HB2
1.058
2
30322
190
GLN
HB2
1.06
1
7079
112
GLN
HB2
1.06
2
4715
25
GLN
HB2
1.064
1
34055
24
GLN
HB2
1.067
1
19220
43
GLN
HB2
1.069
2
27579
109
GLN
HB2
1.069
2
4681
5
GLN
HB2
1.07
.
7110
70
GLN
HB2
1.07
.
17031
79
GLN
HB2
1.07
2
17144
46
GLN
HB2
1.07
2
15603
44
GLN
HB2
1.071
2
17077
19
GLN
HB2
1.076
2
6502
65
GLN
HB2
1.079
1
16325
36
GLN
HB2
1.08
2
10098
29
GLN
HB2
1.08
2
15173
51
GLN
HB2
1.083
2
6385
71
GLN
HB2
1.084
1
17393
70
GLN
HB2
1.0845
2
17144
13
GLN
HB2
1.09
2
36101
68
GLN
HB2
1.092
1
10006
48
GLN
HB2
1.095
2
17063
26
GLN
HB2
1.097
2
19799
44
GLN
HB2
1.098
2
11362
20
GLN
HB2
1.099
2
5237
67
GLN
HB2
1.1
2
11316
68
GLN
HB2
1.102
2
17062
26
GLN
HB2
1.103
2
19842
116
GLN
HB2
1.107
2
25515
94
GLN
HB2
1.108
.
11349
9
GLN
HB2
1.108
2
18505
15
GLN
HB2
1.11
2
15854
42
GLN
HB2
1.11
2
25789
35
GLN
HB2
1.112
2
10156
24
GLN
HB2
1.116
2
10115
41
GLN
HB2
1.116
2
4380
25
GLN
HB2
1.117
2
11115
20
GLN
HB2
1.119
2
5833
151
GLN
HB2
1.12
2
5483
103
GLN
HB2
1.124
2
16163
99
GLN
HB2
1.128
1
16009
48
GLN
HB2
1.128
2
17063
31
GLN
HB2
1.129
2
4282
48
GLN
HB2
1.13
2
4848
171
GLN
HB2
1.13
.
26558
139
GLN
HB2
1.135
2
7395
10
GLN
HB2
1.135
.
19106
79
GLN
HB2
1.135
.
30188
15
GLN
HB2
1.14
2
4860
98
GLN
HB2
1.14
2
11501
38
GLN
HB2
1.14
2
7104
95
GLN
HB2
1.14
2
2856
26
GLN
HB2
1.14
1
11249
32
GLN
HB2
1.145
2
15423
157
GLN
HB2
1.15
2
5333
16
GLN
HB2
1.15
2
4857
84
GLN
HB2
1.15
2
7032
40
GLN
HB2
1.15
2
15627
40
GLN
HB2
1.159
1
17388
10
GLN
HB2
1.159
2
16684
62
GLN
HB2
1.159963
2
5141
93
GLN
HB2
1.16
1
5145
63
GLN
HB2
1.16
2
16983
26
GLN
HB2
1.162
2
17353
8
GLN
HB2
1.164
2
5876
197
GLN
HB2
1.165
1
17273
84
GLN
HB2
1.169
2
17272
84
GLN
HB2
1.169
2
17039
52
GLN
HB2
1.17
2
15382
45
GLN
HB2
1.17
.
34139
96
GLN
HB2
1.173
.
17354
8
GLN
HB2
1.175
2
7058
25
GLN
HB2
1.18
1
25834
125
GLN
HB2
1.18
2
16210
20
GLN
HB2
1.182
2
16209
20
GLN
HB2
1.183
2
11376
86
GLN
HB2
1.184
2
16607
91
GLN
HB2
1.186
2
16545
17
GLN
HB2
1.186
2
80
46
GLN
HB2
1.19
2
17754
9
GLN
HB2
1.19
2
11148
63
GLN
HB2
1.192
2
16311
30
GLN
HB2
1.192
2
5223
36
GLN
HB2
1.193
.
5787
7
GLN
HB2
1.193
1
10206
24
GLN
HB2
1.193
2
19302
105
GLN
HB2
1.194
.
30351
27
GLN
HB2
1.195
.
26748
13
GLN
HB2
1.195
2
5338
40
GLN
HB2
1.197
1
25993
142
GLN
HB2
1.2
2
17496
65
GLN
HB2
1.2
2
5232
117
GLN
HB2
1.2
2
16024
58
GLN
HB2
1.205
2
17623
28
GLN
HB2
1.208
2
11321
64
GLN
HB2
1.208
2