GLN HB3 Chemical Shift Outliers

___________________________________________________
GLN HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
9978
2.022
-1.42
20.9
0.352


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4621
87
GLN
HB3
20.9
.
5269
43
GLN
HB3
3.24
1
15063
3
GLN
HB3
3.259
2
6799
15
GLN
HB3
3.27
2
6634
16
GLN
HB3
3.36
2
5625
16
GLN
HB3
3.36
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
4435
40
GLN
HB3
4.05
2
5172
47
GLN
HB3
4.73
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6873
264
GLN
HB3
-.02
2
6331
16
GLN
HB3
-.024
2
5365
61
GLN
HB3
-.053
2
5224
90
GLN
HB3
-.15
2
6125
85
GLN
HB3
-.21
2
4311
138
GLN
HB3
-.216
1
5558
47
GLN
HB3
-.515
1
10076
105
GLN
HB3
-.52
2
10063
44
GLN
HB3
-.942
2
4041
7
GLN
HB3
-1.14
1
4039
7
GLN
HB3
-1.14
1
15109
56
GLN
HB3
-1.231
2
6330
35
GLN
HB3
-1.34
1
6336
35
GLN
HB3
-1.42
2
10115
77
GLN
HB3
.014
2
15057
96
GLN
HB3
.018
1
5981
170
GLN
HB3
.033
2
4469
5
GLN
HB3
.1
1
4384
180
GLN
HB3
.18
2
4117
81
GLN
HB3
.19
2
10065
43
GLN
HB3
.195
2
2999
41
GLN
HB3
.22
2
5261
57
GLN
HB3
.279
1
5363
60
GLN
HB3
.28
1
5583
33
GLN
HB3
.33
1
6760
111
GLN
HB3
.37
2
4901
19
GLN
HB3
.38
1
4042
31
GLN
HB3
.4
2
4444
14
GLN
HB3
.4
.
7053
57
GLN
HB3
.47
2
2856
26
GLN
HB3
.48
1
15356
37
GLN
HB3
.488
2
5333
16
GLN
HB3
.5
2
10004
21
GLN
HB3
.503
1
6904
25
GLN
HB3
.51
1
4087
67
GLN
HB3
.52
2
5212
58
GLN
HB3
.527
.
4081
62
GLN
HB3
.54
1
15382
45
GLN
HB3
.54
.
5897
147
GLN
HB3
.559
2
5949
26
GLN
HB3
.57
2
5948
26
GLN
HB3
.57
2
5117
34
GLN
HB3
.574
2
7206
15
GLN
HB3
.58
1
4395
51
GLN
HB3
.58
2
6711
114
GLN
HB3
.59
1
5211
58
GLN
HB3
.59
.
4871
135
GLN
HB3
.59
2
4881
99
GLN
HB3
.6
2
5701
81
GLN
HB3
.605
2
4342
60
GLN
HB3
.61
2
6903
25
GLN
HB3
.611
1
6648
63
GLN
HB3
.612
1
10115
41
GLN
HB3
.618
2
5027
88
GLN
HB3
.62
2
4291
16
GLN
HB3
.622
1
10085
63
GLN
HB3
.65
2
4681
45
GLN
HB3
.66
.
5225
54
GLN
HB3
.69
1
4259
47
GLN
HB3
.69
1
2999
47
GLN
HB3
.69
1
7105
19
GLN
HB3
.692
2
6051
23
GLN
HB3
.695
2
5261
82
GLN
HB3
.696
2
4084
36
GLN
HB3
.7
1
10102
65
GLN
HB3
.712
2
4206
89
GLN
HB3
.72
2
5194
134
GLN
HB3
.72
2
4751
117
GLN
HB3
.72
2
5013
46
GLN
HB3
.726
2
15265
25
GLN
HB3
.73
2
4464
5
GLN
HB3
.73
1
4959
123
GLN
HB3
.733
2
6385
71
GLN
HB3
.736
1
7166
47
GLN
HB3
.738
2
4681
45
GLN
HB3
.75
.
4602
49
GLN
HB3
.75
2
6361
64
GLN
HB3
.763
2
4682
45
GLN
HB3
.77
.
5232
117
GLN
HB3
.77
2
7242
188
GLN
HB3
.78
2
6131
47
GLN
HB3
.783
1
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
.
6343
60
GLN
HB3
.91
2
6253
120
GLN
HB3
.926
1
4514
20
GLN
HB3
.93
.
4046
73
GLN
HB3
.93
2
5126
59
GLN
HB3
.96
.