PHE CA Chemical Shift Outliers

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PHE CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
22919
58.118
4.917
73.43
2.655


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5838
14
PHE
CA
66.17
1
4839
95
PHE
CA
66.77
1
4704
36
PHE
CA
67.1
1
19197
101
PHE
CA
67.716
1
4232
22
PHE
CA
68.95
1
4232
29
PHE
CA
69
1
5860
22
PHE
CA
69.38
1
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
15083
39
PHE
CA
4.917
1
15874
40
PHE
CA
41.713
1
15873
40
PHE
CA
41.713
1
15873
67
PHE
CA
42.03
1
15874
67
PHE
CA
42.03
1
15873
38
PHE
CA
43.221
1
15874
38
PHE
CA
43.221
1
5736
12
PHE
CA
47.31
.
6911
8
PHE
CA
47.999
1
4431
123
PHE
CA
48.3
1
5594
23
PHE
CA
48.48
1
11001
68
PHE
CA
49.4
1
5742
139
PHE
CA
49.407
.
5742
18
PHE
CA
49.407
.
17529
41
PHE
CA
49.412
1
6446
1
PHE
CA
49.586
1
4019
35
PHE
CA
49.7
1
16884
55
PHE
CA
49.7
1
4431
24
PHE
CA
49.9
1
16884
57
PHE
CA
49.9
1
4431
25
PHE
CA
49.9
1
6080
70
PHE
CA
50.105
1