GLN HB3 Chemical Shift Outliers

___________________________________________________
GLN HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
7218
2.023
-.515
4.04
0.275


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4336
32
GLN
HB3
2.87
1
15339
15
GLN
HB3
2.883
2
7095
59
GLN
HB3
2.886
1
11024
79
GLN
HB3
2.899
2
7107
98
GLN
HB3
2.908
2
3322
8
GLN
HB3
2.91
1
6285
75
GLN
HB3
2.93
2
15229
91
GLN
HB3
2.944
.
15576
24
GLN
HB3
2.966
2
5701
57
GLN
HB3
3.048
2
15063
3
GLN
HB3
3.259
2
6799
15
GLN
HB3
3.27
2
4141
52
GLN
HB3
3.39
9
5410
9
GLN
HB3
3.533
2
4686
5
GLN
HB3
3.8
2
280
59
GLN
HB3
4.04
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6331
16
GLN
HB3
-.024
2
5224
90
GLN
HB3
-.15
2
6125
85
GLN
HB3
-.21
2
5558
47
GLN
HB3
-.515
1
5981
170
GLN
HB3
.033
2
4384
180
GLN
HB3
.18
2
4117
81
GLN
HB3
.19
2
5583
33
GLN
HB3
.33
1
6760
111
GLN
HB3
.37
2
4901
19
GLN
HB3
.38
1
7053
57
GLN
HB3
.47
2
2856
26
GLN
HB3
.48
1
15356
37
GLN
HB3
.488
2
10004
21
GLN
HB3
.503
1
6904
25
GLN
HB3
.51
1
4081
62
GLN
HB3
.54
1
15382
45
GLN
HB3
.54
.
5948
26
GLN
HB3
.57
2
5949
26
GLN
HB3
.57
2
5117
34
GLN
HB3
.574
2
4395
51
GLN
HB3
.58
2
4871
135
GLN
HB3
.59
2
5211
58
GLN
HB3
.59
.
6711
114
GLN
HB3
.59
1
5701
81
GLN
HB3
.605
2
4342
60
GLN
HB3
.61
2
6903
25
GLN
HB3
.611
1
6648
63
GLN
HB3
.612
1
5027
88
GLN
HB3
.62
2
4681
45
GLN
HB3
.66
.
5225
54
GLN
HB3
.69
1
4259
47
GLN
HB3
.69
1
7105
19
GLN
HB3
.692
2
6051
23
GLN
HB3
.695
2
4084
36
GLN
HB3
.7
1
5194
134
GLN
HB3
.72
2
4206
89
GLN
HB3
.72
2
5013
46
GLN
HB3
.726
2
15265
25
GLN
HB3
.73
2
4959
123
GLN
HB3
.733
2
4681
45
GLN
HB3
.75
.
6361
64
GLN
HB3
.763
2
4682
45
GLN
HB3
.77
.
5232
117
GLN
HB3
.77
2
7242
188
GLN
HB3
.78
2
6904
84
GLN
HB3
.83
1
6903
84
GLN
HB3
.8328
1
5595
37
GLN
HB3
.84
2
699
8
GLN
HB3
.86
2
5492
47
GLN
HB3
.87
1
6821
153
GLN
HB3
.898
.
4514
20
GLN
HB3
.93
.
4046
73
GLN
HB3
.93
2
4980
12
GLN
HB3
.97
2
435
115
GLN
HB3
.98
2
7004
17
GLN
HB3
.98
2
4860
98
GLN
HB3
.98
2
4639
47
GLN
HB3
.988
1
7118
11
GLN
HB3
.99
.
6745
158
GLN
HB3
.995
2
15373
18
GLN
HB3
1
2
5338
40
GLN
HB3
1.006
1
5497
89
GLN
HB3
1.01
2
5346
28
GLN
HB3
1.01
1
6419
33
GLN
HB3
1.01
1
5223
36
GLN
HB3
1.016
.
5991
36
GLN
HB3
1.025
2
4234
28
GLN
HB3
1.0298
2
6134
17
GLN
HB3
1.03
1
6551
49
GLN
HB3
1.03
.
15603
44
GLN
HB3
1.039
2
4256
103
GLN
HB3
1.046
1
10006
48
GLN
HB3
1.048
2
4681
5
GLN
HB3
1.07
.
15595
125
GLN
HB3
1.077
2
7085
86
GLN
HB3
1.078
2
4886
99
GLN
HB3
1.08
2
4788
24
GLN
HB3
1.08
1
4267
27
GLN
HB3
1.08
2
6960
70
GLN
HB3
1.085
.
5141
93
GLN
HB3
1.09
1
4880
54
GLN
HB3
1.09
2
6890
18
GLN
HB3
1.11
2
6226
73
GLN
HB3
1.11
2
6152
20
GLN
HB3
1.116
.
4848
171
GLN
HB3
1.13
.
4681
98
GLN
HB3
1.14
.
4682
98
GLN
HB3
1.14
.
4370
12
GLN
HB3
1.14
2
5105
20
GLN
HB3
1.14
2
6578
26
GLN
HB3
1.152
2
6454
121
GLN
HB3
1.16
2
5492
38
GLN
HB3
1.17
2
5075
47
GLN
HB3
1.17
2
6410
84
GLN
HB3
1.184
2