TRP CE3 Chemical Shift Outliers

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TRP CE3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
2040
120.448
93.343
137.6
1.753


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15776
58
TRP
CE3
125.9
1
6540
67
TRP
CE3
126.13
1
18990
124
TRP
CE3
126.266
1
17799
117
TRP
CE3
126.64
1
4070
36
TRP
CE3
127.3
1
5987
29
TRP
CE3
127.912
2
5678
52
TRP
CE3
128.3
1
18112
60
TRP
CE3
128.4
1
18606
54
TRP
CE3
128.806
.
16629
62
TRP
CE3
128.925
1
17250
281
TRP
CE3
129.297
1
6731
40
TRP
CE3
129.297
1
6759
72
TRP
CE3
131.043
.
15642
80
TRP
CE3
131.4
1
5798
80
TRP
CE3
131.9
1
15016
23
TRP
CE3
132.421
.
6226
33
TRP
CE3
137.4
1
6226
117
TRP
CE3
137.6
1
4126
4
TRP
CE3
137.6
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6679
43
TRP
CE3
111.857
1
18152
32
TRP
CE3
112.995
1
15938
30
TRP
CE3
113.872
1
17813
61
TRP
CE3
113.924
.
17806
95
TRP
CE3
114.478
1
4818
22
TRP
CE3
114.86
1
18292
78
TRP
CE3
114.954
1
18292
25
TRP
CE3
115.045
1
17389
124
TRP
CE3
93.343
1