PHE CE2 Chemical Shift Outliers

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PHE CE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
5915
130.572
51.321
139.7
3.343


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6763
125
PHE
CE2
102.93
.
7151
58
PHE
CE2
114.7
1
15813
75
PHE
CE2
118
.
6857
10
PHE
CE2
118.034
1
15813
103
PHE
CE2
118.2
.
6857
9
PHE
CE2
118.247
1
15814
49
PHE
CE2
118.4
3
15814
23
PHE
CE2
118.6
3
15814
33
PHE
CE2
118.6
3
18356
66
PHE
CE2
119.5
1
4804
56
PHE
CE2
119.8
1
4803
56
PHE
CE2
119.8
1
18356
30
PHE
CE2
120.4
1
18356
15
PHE
CE2
120.5
1
4150
81
PHE
CE2
51.321
.
4150
76
PHE
CE2
51.495
.
4150
68
PHE
CE2
52.518
.
18235
43
PHE
CE2
55.3
3
18235
76
PHE
CE2
55.3
3
17036
87
PHE
CE2
61.245
1
5363
30
PHE
CE2
65.2
2
5363
64
PHE
CE2
65.7
2
5179
35
PHE
CE2
70.42
.
6247
30
PHE
CE2
82.32
.
5179
32
PHE
CE2
82.62
.
5179
19
PHE
CE2
83.72
.
5179
69
PHE
CE2
84.12
.