ASP CA Chemical Shift Outliers

___________________________________________________
ASP CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
55936
54.687
5.63
354.531
2.778


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17914
57
ASP
CA
118.9
1
25442
19
ASP
CA
353.538
.
25442
2
ASP
CA
354.531
.
18863
17
ASP
CA
63.262
1
4232
30
ASP
CA
63.29
1
27631
39
ASP
CA
63.373
.
18863
18
ASP
CA
63.418
1
4232
74
ASP
CA
63.44
1
4232
36
ASP
CA
63.45
1
15388
2
ASP
CA
63.65
1
27631
129
ASP
CA
63.736
.
4232
66
ASP
CA
63.82
1
16971
128
ASP
CA
63.89
1
30133
82
ASP
CA
63.981
9
26708
56
ASP
CA
64.353
1
4232
68
ASP
CA
64.57
1
27631
183
ASP
CA
64.624
.
4232
32
ASP
CA
64.69
1
4232
89
ASP
CA
65.31
1
27631
137
ASP
CA
65.375
.
27631
102
ASP
CA
65.671
.
27631
37
ASP
CA
65.908
.
27631
238
ASP
CA
66.249
.
11596
67
ASP
CA
66.303
1
17693
15
ASP
CA
66.711
1
16879
68
ASP
CA
67.166
1
4232
27
ASP
CA
67.89
1
4232
5
ASP
CA
67.98
1
4232
59
ASP
CA
68.47
1
15877
7
ASP
CA
83.67
1
15877
6
ASP
CA
84.708
1
15877
5
ASP
CA
85.066
1
15877
17
ASP
CA
86.067
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19716
11
ASP
CA
24.8368
1
19716
21
ASP
CA
26.9945
1
18951
35
ASP
CA
31.085
1
18951
16
ASP
CA
31.105
1
18951
18
ASP
CA
31.556
1
18951
33
ASP
CA
31.926
1
15873
43
ASP
CA
36.572
1
15874
43
ASP
CA
36.572
1
15874
37
ASP
CA
38.055
1
15873
37
ASP
CA
38.055
1
15873
35
ASP
CA
39.549
1
15874
35
ASP
CA
39.549
1
4431
104
ASP
CA
39.8
1
25278
64
ASP
CA
40.4
1
18697
62
ASP
CA
41.113
1
18696
62
ASP
CA
41.117
1
17799
145
ASP
CA
41.877
1
30070
43
ASP
CA
43.354
1
19063
45
ASP
CA
43.378
.
19063
51
ASP
CA
43.447
.
6299
41
ASP
CA
44.807
1
19458
79
ASP
CA
44.8855
.
19063
23
ASP
CA
45.175
.
4431
72
ASP
CA
45.2
1
6586
87
ASP
CA
45.343
1
17529
36
ASP
CA
45.399
1
17529
26
ASP
CA
45.627
1
4309
128
ASP
CA
45.7
1
4431
36
ASP
CA
45.8
1
4431
9
ASP
CA
45.8
1
27859
41
ASP
CA
46
.
4431
27
ASP
CA
46.1
1
4070
180
ASP
CA
46.1
1
16729
147
ASP
CA
46.11
1
19063
70
ASP
CA
46.35
.
25150
67
ASP
CA
5.63
.