ASP CA Chemical Shift Outliers

___________________________________________________
ASP CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
13033
54.651
39.8
62.485
2.079


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5340
83
ASP
CA
60.97
.
5797
62
ASP
CA
61.1
1
7024
75
ASP
CA
61.182
.
5175
17
ASP
CA
61.47
1
6812
29
ASP
CA
61.63
1
4940
35
ASP
CA
61.8
1
5956
21
ASP
CA
62.025
1
6148
158
ASP
CA
62.246
1
6743
10
ASP
CA
62.33
1
6743
10
ASP
CA
62.33
1
6743
10
ASP
CA
62.33
1
6136
89
ASP
CA
62.485
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4431
104
ASP
CA
39.8
1
6299
41
ASP
CA
44.807
1
4431
72
ASP
CA
45.2
1
6586
87
ASP
CA
45.343
1
4309
128
ASP
CA
45.7
1
4431
36
ASP
CA
45.8
1
4431
9
ASP
CA
45.8
1
4431
27
ASP
CA
46.1
1
4070
180
ASP
CA
46.1
1
4431
133
ASP
CA
46.4
1
4431
19
ASP
CA
46.4
1
6586
103
ASP
CA
46.901
1
15200
21
ASP
CA
47
1
7119
112
ASP
CA
47.022
1
5813
51
ASP
CA
47.03
1
4431
22
ASP
CA
47.4
1
6231
70
ASP
CA
47.47
1
4431
108
ASP
CA
48
1
6986
38
ASP
CA
48.1
1
5886
116
ASP
CA
48.17
1
11001
72
ASP
CA
48.2
1
6586
35
ASP
CA
48.246
1
5752
117
ASP
CA
48.256
1
5514
82
ASP
CA
48.29
1
6903
20
ASP
CA
48.38
1
5929
81
ASP
CA
48.4
1