GLN HB2 Chemical Shift Outliers

___________________________________________________
GLN HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15695
2.049
-.07
4
0.247


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
6971
51
GLN
HB2
2.82
2
18394
73
GLN
HB2
2.839
2
18684
7
GLN
HB2
2.839
2
18196
36
GLN
HB2
2.842
2
6868
119
GLN
HB2
2.842
1
18332
31
GLN
HB2
2.846
2
10068
77
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
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
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
11298
40
GLN
HB2
3.174
2
6799
15
GLN
HB2
3.49
2
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
16555
12
GLN
HB2
.072
1
15642
72
GLN
HB2
.08
2
4593
5
GLN
HB2
.093
2
7004
17
GLN
HB2
.1
2
16745
6
GLN
HB2
.155
1
7137
53
GLN
HB2
.16
2
11333
98
GLN
HB2
.164
2
16082
41
GLN
HB2
.241
2
11270
58
GLN
HB2
.296
2
5027
88
GLN
HB2
.35
2
11345
85
GLN
HB2
.397
2
6419
33
GLN
HB2
.4
1
11265
45
GLN
HB2
.407
2
7219
135
GLN
HB2
.41
2
5224
90
GLN
HB2
.43
2
18053
101
GLN
HB2
.437
2
4959
123
GLN
HB2
.465
2
6359
46
GLN
HB2
.474
2
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
19210
34
GLN
HB2
.574
2
6711
114
GLN
HB2
.59
1
7127
50
GLN
HB2
.61
1
19178
92
GLN
HB2
.616
2
17816
41
GLN
HB2
.617
1
4901
19
GLN
HB2
.63
1
11233
46
GLN
HB2
.654
2
11272
21
GLN
HB2
.674
2
18596
14
GLN
HB2
.68
2
5225
54
GLN
HB2
.69
1
17838
134
GLN
HB2
.69
2
5397
10
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
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
15369
243
GLN
HB2
.822
2
7053
57
GLN
HB2
.83
2
15585
61
GLN
HB2
.832
2
6571
44
GLN
HB2
.853
2
58
8
GLN
HB2
.86
2
4259
47
GLN
HB2
.86
1
15757
15
GLN
HB2
.86
2
16353
17
GLN
HB2
.863
2
5492
47
GLN
HB2
.87
1
11125
79
GLN
HB2
.88
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
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
15339
26
GLN
HB2
.962
2
15288
14
GLN
HB2
.97
2
4117
81
GLN
HB2
.97
2
1062
115
GLN
HB2
.98
2
4818
140
GLN
HB2
.98
1
1061
116
GLN
HB2
.98
2
434
116
GLN
HB2
.98
2
30
46
GLN
HB2
.99
2
11274
18
GLN
HB2
.99
2
15578
344
GLN
HB2
.994
1
6177
86
GLN
HB2
1
2
6904
84
GLN
HB2
1
1
15802
19
GLN
HB2
1
2
17683
74
GLN
HB2
1.003
2
11112
72
GLN
HB2
1.006
2
6760
111
GLN
HB2
1.01
2
5346
28
GLN
HB2
1.01
1
18004
40
GLN
HB2
1.015
2
4234
32
GLN
HB2
1.0267
2
4234
28
GLN
HB2
1.0298
2
15356
37
GLN
HB2
1.032
2
10313
82
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
7382
21
GLN
HB2
1.052
.
4939
29
GLN
HB2
1.053
2
5794
36
GLN
HB2
1.053
2
18087
48
GLN
HB2
1.055
2
15700
99
GLN
HB2
1.058
2
4715
25
GLN
HB2
1.064
1
17031
79
GLN
HB2
1.07
2
7110
70
GLN
HB2
1.07
.
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
10006
48
GLN
HB2
1.095
2
5237
67
GLN
HB2
1.1
2
11316
68
GLN
HB2
1.102
2
11349
9
GLN
HB2
1.108
2
18505
15
GLN
HB2
1.11
2
10156
24
GLN
HB2
1.116
2
10115
41
GLN
HB2
1.116
2
5833
151
GLN
HB2
1.12
2
16009
48
GLN
HB2
1.128
2
16163
99
GLN
HB2
1.128
1
4282
48
GLN
HB2
1.13
2
4848
171
GLN
HB2
1.13
.
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
17353
8
GLN
HB2
1.164
2
17039
52
GLN
HB2
1.17
2
7058
25
GLN
HB2
1.18
1
11376
86
GLN
HB2
1.184
2
16545
17
GLN
HB2
1.186
2
16607
91
GLN
HB2
1.186
2
80
46
GLN
HB2
1.19
2
16311
30
GLN
HB2
1.192
2
10206
24
GLN
HB2
1.193
2
5223
36
GLN
HB2
1.193
.
5338
40
GLN
HB2
1.197
1
5232
117
GLN
HB2
1.2
2
11321
64
GLN
HB2
1.208
2
17623
28
GLN
HB2
1.208
2
5299
63
GLN
HB2
1.21
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
6648
63
GLN
HB2
1.225
1
5920
47
GLN
HB2
1.2289
1
7033
31
GLN
HB2
1.229
2
18415
52
GLN
HB2
1.233
2
19211
34
GLN
HB2
1.236
2
4990
28
GLN
HB2
1.24
1
5949
26
GLN
HB2
1.24
2
7192
55
GLN
HB2
1.24
2
374
49
GLN
HB2
1.24
2
16790
57
GLN
HB2
1.24
2
15952
7
GLN
HB2
1.24
.
5948
26
GLN
HB2
1.24
2
17806
19
GLN
HB2
1.241
2
18389
130
GLN
HB2
1.244
2
5155
86
GLN
HB2
1.245
1
4636
109
GLN
HB2
1.25
.
5862
73
GLN
HB2
1.25
1
4825
8
GLN
HB2
1.25
2
6725
98
GLN
HB2
1.25
2
6647
17
GLN
HB2
1.253
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
10144
62
GLN
HB2
1.269
2
6607
87
GLN
HB2
1.27
1
18046
82
GLN
HB2
1.27
2
5280
62
GLN
HB2
1.27
1
15663
69
GLN
HB2
1.27
1
16768
43
GLN
HB2
1.273
1
6475
32
GLN
HB2
1.275
2
4370
12
GLN
HB2
1.28
2
4603
51
GLN
HB2
1.28
2
15743
56
GLN
HB2
1.28
2
6012
70
GLN
HB2
1.282
2
17783
29
GLN
HB2
1.285
2
11062
148
GLN
HB2
1.294
2
18561
19
GLN
HB2
1.295
2
10285
28
GLN
HB2
1.295
2
18161
19
GLN
HB2
1.296
2
6051
23
GLN
HB2
1.297
2
18732
50
GLN
HB2
1.298
1
5982
54
GLN
HB2
1.3
.
6904
25
GLN
HB2
1.3
1
5267
94
GLN
HB2
1.3
1
10145
72
GLN
HB2
1.301
2
17622
28
GLN
HB2
1.302
2
17510
108
GLN
HB2
1.303
2