ASP HB2 Chemical Shift Outliers

___________________________________________________
ASP HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
41706
2.716
-5.2
37.4
0.518


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
812
83
ASP
HB2
36
1
813
83
ASP
HB2
36.3
1
814
83
ASP
HB2
36.5
1
811
83
ASP
HB2
36.9
2
1486
83
ASP
HB2
36.9
2
1487
83
ASP
HB2
37.2
1
505
81
ASP
HB2
37.4
2
16822
10
ASP
HB2
4.278
2
11495
70
ASP
HB2
4.3
1
6634
42
ASP
HB2
4.33
2
6604
65
ASP
HB2
4.335
2
5625
42
ASP
HB2
4.34
2
4782
2
ASP
HB2
4.47
2
4744
2
ASP
HB2
4.537
.
4890
2
ASP
HB2
4.58
1
19497
27
ASP
HB2
4.6
2
5279
2
ASP
HB2
4.601
.
4744
16
ASP
HB2
5.068
.
5279
16
ASP
HB2
5.179
.
5239
59
ASP
HB2
5.35
2
4837
98
ASP
HB2
5.56
1
1655
18
ASP
HB2
6.6
2
6686
65
ASP
HB2
6.77
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10028
32
ASP
HB2
-.023
2
16923
74
ASP
HB2
-.048
2
6008
72
ASP
HB2
-.39
2
6686
57
ASP
HB2
-1.17
.
6686
21
ASP
HB2
-5.2
.
6990
62
ASP
HB2
.032
2
12021
11
ASP
HB2
.332
.
6686
25
ASP
HB2
.34
.
16572
21
ASP
HB2
.366
2
6686
59
ASP
HB2
.48
.
10068
132
ASP
HB2
.521
2
30317
27
ASP
HB2
.572
.
6901
69
ASP
HB2
.578
2
4565
100
ASP
HB2
.59
2
10120
46
ASP
HB2
.629
2
5224
19
ASP
HB2
.65
2
16365
131
ASP
HB2
.73
2
4291
71
ASP
HB2
.745
1
25927
12
ASP
HB2
.796
1
6391
100
ASP
HB2
.81
2
10035
36
ASP
HB2
.811
2
19012
52
ASP
HB2
.83
2
15407
57
ASP
HB2
.848
2
5156
33
ASP
HB2
.85
2
18098
71
ASP
HB2
.857
2
25831
28
ASP
HB2
.87
2
6120
52
ASP
HB2
.88
2
17755
19
ASP
HB2
.914
2
6895
45
ASP
HB2
.923
2
25047
70
ASP
HB2
.943
2
18574
43
ASP
HB2
.956
2
18575
43
ASP
HB2
.96
2
25442
70
ASP
HB2
.987
.
30376
26
ASP
HB2
1.022
.
6344
133
ASP
HB2
1.03
2
5602
17
ASP
HB2
1.045
2
11348
142
ASP
HB2
1.062
2
4224
65
ASP
HB2
1.07
1
7298
33
ASP
HB2
1.075
2
30377
26
ASP
HB2
1.078
.
25945
14
ASP
HB2
1.079
2
34068
26
ASP
HB2
1.083
.
15100
66
ASP
HB2
1.09
2
6199
163
ASP
HB2
1.1
2
6869
24
ASP
HB2
1.12
1
34057
44
ASP
HB2
1.123
.
15295
85
ASP
HB2
1.137
2
34226
94
ASP
HB2
1.149
1
15338
36
ASP
HB2
1.15
2