PHE CA Chemical Shift Outliers

___________________________________________________
PHE CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34677
58.110
4.917
363.618
3.902


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25442
10
PHE
CA
356.346
.
25442
32
PHE
CA
362.09
.
25442
27
PHE
CA
363.618
.
5860
31
PHE
CA
69.821
1
4232
13
PHE
CA
70.65
1
4232
75
PHE
CA
72.23
1
4232
26
PHE
CA
73.43
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5041
31
PHE
CA
22.718
1
26552
113
PHE
CA
25.8433
.
34022
88
PHE
CA
25.8433
.
34022
156
PHE
CA
27.1153
.
26552
181
PHE
CA
27.1153
.
34022
44
PHE
CA
27.2083
.
26552
69
PHE
CA
27.2083
.
26552
67
PHE
CA
28.2563
.
34022
42
PHE
CA
28.2563
.
26552
168
PHE
CA
30.0563
.
34022
143
PHE
CA
30.0563
.
26552
89
PHE
CA
30.1533
.
34022
64
PHE
CA
30.1533
.
34022
71
PHE
CA
30.4253
.
26552
96
PHE
CA
30.4253
.
27080
26
PHE
CA
31.862
1
25792
120
PHE
CA
36.03
.
15083
39
PHE
CA
4.917
1
25278
66
PHE
CA
41.4
1
15873
40
PHE
CA
41.713
1
15874
40
PHE
CA
41.713
1
15874
67
PHE
CA
42.03
1
15873
67
PHE
CA
42.03
1
25453
25
PHE
CA
42.169
1
15874
38
PHE
CA
43.221
1
15873
38
PHE
CA
43.221
1
27512
49
PHE
CA
43.705
.
19063
62
PHE
CA
45.52
.