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
26680
58.129
36.03
69.821
2.576


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19589
159
PHE
CA
66.144
1
5838
14
PHE
CA
66.17
1
4839
95
PHE
CA
66.77
1
34108
32
PHE
CA
66.887
1
4704
36
PHE
CA
67.1
1
27706
86
PHE
CA
67.545
1
19197
101
PHE
CA
67.716
1
5860
22
PHE
CA
69.38
1
5860
31
PHE
CA
69.821
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25792
120
PHE
CA
36.03
.
25453
25
PHE
CA
42.169
1
27512
49
PHE
CA
43.705
.
19063
62
PHE
CA
45.52
.
19063
65
PHE
CA
46.695
.
19063
20
PHE
CA
46.903
.
5736
12
PHE
CA
47.31
.
6911
8
PHE
CA
47.999
1
19063
17
PHE
CA
48.009
.
5594
23
PHE
CA
48.48
1
19560
23
PHE
CA
48.685
1
19063
37
PHE
CA
49.253
.
19063
40
PHE
CA
49.391
.
4019
35
PHE
CA
49.7
1
16884
55
PHE
CA
49.7
1
27601
51
PHE
CA
49.802
.
34041
98
PHE
CA
49.814
1
16884
57
PHE
CA
49.9
1
26793
76
PHE
CA
49.9
1
25760
100
PHE
CA
49.925
.
34058
98
PHE
CA
49.95
1
27425
138
PHE
CA
50.063
1
27584
91
PHE
CA
50.101
1
6080
70
PHE
CA
50.105
1
5180
23
PHE
CA
50.19
.
5886
414
PHE
CA
50.23
1
17477
137
PHE
CA
50.248
1
27859
260
PHE
CA
50.3
.
19776
53
PHE
CA
50.3
.
30447
3
PHE
CA
50.341
.
30446
3
PHE
CA
50.341
.
4821
97
PHE
CA
50.363
1