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
4276
130.772
114.7
139.7
1.132


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18673
88
PHE
CE2
134.3
3
17033
73
PHE
CE2
134.3
3
11157
25
PHE
CE2
134.411
1
18169
16
PHE
CE2
135.772
3
18269
17
PHE
CE2
135.823
3
11080
73
PHE
CE2
136.916
3
18355
5
PHE
CE2
137.131
1
18355
66
PHE
CE2
137.131
1
15642
39
PHE
CE2
139.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7151
58
PHE
CE2
114.7
1
6857
10
PHE
CE2
118.034
1
6857
9
PHE
CE2
118.247
1
17806
75
PHE
CE2
120.832
3
6275
64
PHE
CE2
121.3
1
6780
27
PHE
CE2
125.003
1
6780
92
PHE
CE2
125.402
1
17806
113
PHE
CE2
125.722
3
18292
9
PHE
CE2
125.834
3
18118
32
PHE
CE2
125.954
3
15200
107
PHE
CE2
126
1
18292
98
PHE
CE2
126.011
3
17799
135
PHE
CE2
126.021
3
17806
26
PHE
CE2
126.096
3
18118
31
PHE
CE2
126.176
3
18550
91
PHE
CE2
126.27
1
15200
24
PHE
CE2
126.4
1
5224
24
PHE
CE2
126.5
1
11142
107
PHE
CE2
126.558
1
5887
14
PHE
CE2
126.7
4
11146
64
PHE
CE2
126.792
1
11141
85
PHE
CE2
126.829
1
18292
79
PHE
CE2
126.838
3
16630
62
PHE
CE2
126.91
3
16929
62
PHE
CE2
126.936
3
15470
89
PHE
CE2
126.947
3
15723
54
PHE
CE2
126.96
3
18566
54
PHE
CE2
126.974
3
18047
64
PHE
CE2
127.007
3
16679
84
PHE
CE2
127.02
1
19203
75
PHE
CE2
127.075
3
18732
70
PHE
CE2
127.08
1
4023
18
PHE
CE2
127.1
1
11221
90
PHE
CE2
127.153
3
15927
89
PHE
CE2
127.163
1
16630
88
PHE
CE2
127.164
3
18550
114
PHE
CE2
127.192
1
6644
13
PHE
CE2
127.22
1
10097
96
PHE
CE2
127.223
1
11126
110
PHE
CE2
127.245
1
18118
46
PHE
CE2
127.334
3
17893
61
PHE
CE2
127.338
.