GLN HB2 Chemical Shift Outliers

___________________________________________________
GLN HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
21953
2.045
-.12
4
0.248


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11310
44
GLN
HB2
2.795
2
19217
37
GLN
HB2
2.806
.
6971
51
GLN
HB2
2.82
2
18684
7
GLN
HB2
2.839
2
18394
73
GLN
HB2
2.839
2
18196
36
GLN
HB2
2.842
2
6868
119
GLN
HB2
2.842
1
26660
42
GLN
HB2
2.843
1
10068
77
GLN
HB2
2.846
2
18332
31
GLN
HB2
2.846
2
4343
155
GLN
HB2
2.85
2
4336
32
GLN
HB2
2.87
1
16250
38
GLN
HB2
2.872
2
4997
5
GLN
HB2
2.88
2
11078
89
GLN
HB2
2.881
2
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
5069
58
GLN
HB2
2.93
2
7159
57
GLN
HB2
2.93
.
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
16252
50
GLN
HB2
2.961
2
15576
24
GLN
HB2
2.966
2
17853
184
GLN
HB2
2.982
1
17880
73
GLN
HB2
3.006
2
11299
9
GLN
HB2
3.034
2
4636
100
GLN
HB2
3.04
.
18048
7
GLN
HB2
3.05
2
11299
20
GLN
HB2
3.056
2
15555
2
GLN
HB2
3.077
1
11298
31
GLN
HB2
3.101
1
15930
73
GLN
HB2
3.109
1
18154
143
GLN
HB2
3.17
2
11298
40
GLN
HB2
3.174
2
27062
31
GLN
HB2
3.213
2
25659
33
GLN
HB2
3.251
2
25668
36
GLN
HB2
3.252
2
25659
17
GLN
HB2
3.276
2
6799
15
GLN
HB2
3.49
2
26509
26
GLN
HB2
3.617
1
16905
43
GLN
HB2
3.79
2
5410
9
GLN
HB2
3.863
2
4155
59
GLN
HB2
4
2


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
.
16555
12
GLN
HB2
.072
1
15642
72
GLN
HB2
.08
2
4593
5
GLN
HB2
.093
2
7004
17
GLN
HB2
.1
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
16082
41
GLN
HB2
.241
2
34219
145
GLN
HB2
.253
2
18853
47
GLN
HB2
.255
2
26909
99
GLN
HB2
.275
1
11270
58
GLN
HB2
.296
2
36084
79
GLN
HB2
.305
2
34218
145
GLN
HB2
.35
2
5027
88
GLN
HB2
.35
2
11594
68
GLN
HB2
.356
1
11345
85
GLN
HB2
.397
2
34285
53
GLN
HB2
.399
.
6419
33
GLN
HB2
.4
1
11265
45
GLN
HB2
.407
2
7219
135
GLN
HB2
.41
2
36013
19
GLN
HB2
.416
2
5224
90
GLN
HB2
.43
2
11594
19
GLN
HB2
.433
1
18053
101
GLN
HB2
.437
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
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
4900
43
GLN
HB2
.56
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
.
7127
50
GLN
HB2
.61
1
19178
92
GLN
HB2
.616
2
17816
41
GLN
HB2
.617
1
19846
4
GLN
HB2
.62764
.
4901
19
GLN
HB2
.63
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
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
4560
86
GLN
HB2
.73
2
26818
63
GLN
HB2
.732
2
4788
24
GLN
HB2
.75
1
17799
41
GLN
HB2
.756
2
15807
96
GLN
HB2
.757
2
17729
24
GLN
HB2
.769
2
6331
16
GLN
HB2
.774
2
30066
13
GLN
HB2
.78
.
11559
63
GLN
HB2
.783
2
25983
53
GLN
HB2
.785
.
36014
63
GLN
HB2
.791
2
25508
46
GLN
HB2
.798
2
11560
63
GLN
HB2
.807
2
15369
243
GLN
HB2
.822
2
7053
57
GLN
HB2
.83
2
15585
61
GLN
HB2
.832
2
11587
63
GLN
HB2
.842
2
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
36084
98
GLN
HB2
.868
2
5492
47
GLN
HB2
.87
1
11125
79
GLN
HB2
.88
2
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
11168
24
GLN
HB2
.923
2
16572
91
GLN
HB2
.929
2
5862
89
GLN
HB2
.93
1
19921
53
GLN
HB2
.93
1
10174
24
GLN
HB2
.949
2
4081
62
GLN
HB2
.95
1
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
4117
81
GLN
HB2
.97
2
17585
110
GLN
HB2
.97
2
15288
14
GLN
HB2
.97
2
34294
82
GLN
HB2
.974
.
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
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
.
4234
32
GLN
HB2
1.0267
2
4234
28
GLN
HB2
1.0298
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
25690
123
GLN
HB2
1.043
2
10076
105
GLN
HB2
1.045
2
7382
21
GLN
HB2
1.052
.
5794
36
GLN
HB2
1.053
2
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
4715
25
GLN
HB2
1.064
1
34055
24
GLN
HB2
1.067
1
19220
43
GLN
HB2
1.069
2
7110
70
GLN
HB2
1.07
.
17031
79
GLN
HB2
1.07
2
15603
44
GLN
HB2
1.071
2
6502
65
GLN
HB2
1.079
1
16325
36
GLN
HB2
1.08
2
15173
51
GLN
HB2
1.083
2
36101
68
GLN
HB2
1.092
1
10006
48
GLN
HB2
1.095
2
19799
44
GLN
HB2
1.098
2
5237
67
GLN
HB2
1.1
2
11316
68
GLN
HB2
1.102
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
5833
151
GLN
HB2
1.12
2
16163
99
GLN
HB2
1.128
1
16009
48
GLN
HB2
1.128
2
4282
48
GLN
HB2
1.13
2
4848
171
GLN
HB2
1.13
.
26558
139
GLN
HB2
1.135
2
19106
79
GLN
HB2
1.135
.
30188
15
GLN
HB2
1.14
2
4860
98
GLN
HB2
1.14
2
2856
26
GLN
HB2
1.14
1
4857
84
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
17353
8
GLN
HB2
1.164
2
17039
52
GLN
HB2
1.17
2
15382
45
GLN
HB2
1.17
.
7058
25
GLN
HB2
1.18
1
25834
125
GLN
HB2
1.18
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
16311
30
GLN
HB2
1.192
2
5223
36
GLN
HB2
1.193
.
10206
24
GLN
HB2
1.193
2
30351
27
GLN
HB2
1.195
.
5338
40
GLN
HB2
1.197
1
5232
117
GLN
HB2
1.2
2
17623
28
GLN
HB2
1.208
2
11321
64
GLN
HB2
1.208
2
7179
74
GLN
HB2
1.21
2
5299
63
GLN
HB2
1.21
2
30298
87
GLN
HB2
1.212
2
4639
47
GLN
HB2
1.212
1
18419
65
GLN
HB2
1.214
2
15611
75
GLN
HB2
1.218
2
18491
19
GLN
HB2
1.22
1
19325
29
GLN
HB2
1.222
2
6648
63
GLN
HB2
1.225
1
36180
33
GLN
HB2
1.226
.
25612
24
GLN
HB2
1.227
2
5920
47
GLN
HB2
1.2289
1
25230
51
GLN
HB2
1.229
2
7033
31
GLN
HB2
1.229
2
18415
52
GLN
HB2
1.233
2
19211
34
GLN
HB2
1.236
2
25007
60
GLN
HB2
1.237
2
4990
28
GLN
HB2
1.24
1
5949
26
GLN
HB2
1.24
2
7192
55
GLN
HB2
1.24
2
15785
7
GLN
HB2
1.24
.
15952
7
GLN
HB2
1.24
.
374
49
GLN
HB2
1.24
2
5948
26
GLN
HB2
1.24
2
16790
57
GLN
HB2
1.24
2
17806
19
GLN
HB2
1.241
2
30209
97
GLN
HB2
1.245
.
5155
86
GLN
HB2
1.245
1
4636
109
GLN
HB2
1.25
.
5862
73
GLN
HB2
1.25
1
6725
98
GLN
HB2
1.25
2
4825
8
GLN
HB2
1.25
2
6647
17
GLN
HB2
1.253
2
26775
58
GLN
HB2
1.256
2
36011
58
GLN
HB2
1.256
2
17960
92
GLN
HB2
1.258
2
11416
16
GLN
HB2
1.26
2
10136
48
GLN
HB2
1.261
2
17691
18
GLN
HB2
1.265
2
4218
32
GLN
HB2
1.265
2
10144
62
GLN
HB2
1.269
2
15663
69
GLN
HB2
1.27
1
6607
87
GLN
HB2
1.27
1
18046
82
GLN
HB2
1.27
2
5280
62
GLN
HB2
1.27
1
16768
43
GLN
HB2
1.273
1
6475
32
GLN
HB2
1.275
2
30527
90
GLN
HB2
1.278
2
15743
56
GLN
HB2
1.28
2
4370
12
GLN
HB2
1.28
2
4603
51
GLN
HB2
1.28
2
19798
92
GLN
HB2
1.28
1
26061
82
GLN
HB2
1.281
.
26016
56
GLN
HB2
1.282
2
6012
70
GLN
HB2
1.282
2
19516
26
GLN
HB2
1.282
1
25885
99
GLN
HB2
1.284
2
17783
29
GLN
HB2
1.285
2
26016
126
GLN
HB2
1.287
2
19624
70
GLN
HB2
1.29
2
16336
37
GLN
HB2
1.29
2
36013
68
GLN
HB2
1.291
1
27477
5
GLN
HB2
1.293
2
11062
148
GLN
HB2
1.294
2
11549
52
GLN
HB2
1.294
2
10285
28
GLN
HB2
1.295
2
18561
19
GLN
HB2
1.295
2
18161
19
GLN
HB2
1.296
2
6051
23
GLN
HB2
1.297
2
19206
52
GLN
HB2
1.298
1
18732
50
GLN
HB2
1.298
1