PHE CE1 Chemical Shift Outliers

___________________________________________________
PHE CE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
3306
130.282
7.9
135.6
5.147


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
CE1
102.93
.
6536
19
PHE
CE1
114.754
1
4150
81
PHE
CE1
51.321
.
4150
76
PHE
CE1
51.495
.
4150
68
PHE
CE1
52.518
.
6730
28
PHE
CE1
53.572
.
6730
90
PHE
CE1
54.316
.
6308
28
PHE
CE1
54.588
.
6308
82
PHE
CE1
55.048
.
6308
11
PHE
CE1
56.576
.
4202
20
PHE
CE1
7.9
1
5179
34
PHE
CE1
70.42
.
6247
30
PHE
CE1
82.32
.
5179
31
PHE
CE1
82.62
.
5179
18
PHE
CE1
83.72
.
5179
68
PHE
CE1
84.12
.
4368
31
PHE
CE1
89.7
3
4368
19
PHE
CE1
90.4
3
4368
60
PHE
CE1
91.3
3