PHE CE2 Chemical Shift Outliers

___________________________________________________
PHE CE2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
5891
130.754
114.7
139.7
1.206


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11157
25
PHE
CE2
134.411
1
25761
23
PHE
CE2
134.47
.
25744
35
PHE
CE2
134.551
1
25240
52
PHE
CE2
135.193
1
18169
16
PHE
CE2
135.772
3
18269
17
PHE
CE2
135.823
3
19967
37
PHE
CE2
136.751
1
18864
73
PHE
CE2
136.916
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
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
19967
45
PHE
CE2
119.362
1
19952
92
PHE
CE2
119.501
3
17806
75
PHE
CE2
120.832
3
6275
64
PHE
CE2
121.3
1
19952
64
PHE
CE2
123.101
3
25243
68
PHE
CE2
124.163
.
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
7110
35
PHE
CE2
126
.
18292
98
PHE
CE2
126.011
3
17799
135
PHE
CE2
126.021
3
17806
26
PHE
CE2
126.096
3
19642
33
PHE
CE2
126.125
.
18118
31
PHE
CE2
126.176
3
25026
141
PHE
CE2
126.26
3
18550
91
PHE
CE2
126.27
1
15200
24
PHE
CE2
126.4
1
25294
111
PHE
CE2
126.44
.
5224
24
PHE
CE2
126.5
1
19433
69
PHE
CE2
126.531
3
27453
28
PHE
CE2
126.546
1
11142
107
PHE
CE2
126.558
1
25859
98
PHE
CE2
126.6
1
25294
39
PHE
CE2
126.665
.
5887
14
PHE
CE2
126.7
4
25294
106
PHE
CE2
126.71
.
27453
49
PHE
CE2
126.714
1
27453
29
PHE
CE2
126.767
1
34039
26
PHE
CE2
126.789
1
11146
64
PHE
CE2
126.792
1
7110
101
PHE
CE2
126.8
.
7110
109
PHE
CE2
126.8
.
19433
84
PHE
CE2
126.808
3
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
11147
25
PHE
CE2
127.022
1
19203
75
PHE
CE2
127.075
3
18732
70
PHE
CE2
127.08
1
4023
18
PHE
CE2
127.1
1
11086
112
PHE
CE2
127.106
1