TRP CH2 Chemical Shift Outliers

___________________________________________________
TRP CH2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
2979
123.806
91.616
131.54
1.561


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25761
9
TRP
CH2
128.555
.
4825
4
TRP
CH2
128.73
1
5902
36
TRP
CH2
129.286
1
19109
58
TRP
CH2
129.625
1
19952
74
TRP
CH2
130.176
1
15314
35
TRP
CH2
130.34
1
26774
125
TRP
CH2
130.943
1
15354
37
TRP
CH2
131.243
1
6919
96
TRP
CH2
131.54
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15306
52
TRP
CH2
112.427
1
15306
71
TRP
CH2
113.449
1
5798
80
TRP
CH2
113.6
1
6738
83
TRP
CH2
113.609
1
19881
7
TRP
CH2
113.712
1
6238
47
TRP
CH2
114.2
1
34131
35
TRP
CH2
114.26
1
6238
20
TRP
CH2
114.3
1
6644
135
TRP
CH2
114.73
1
6539
65
TRP
CH2
114.868
1
5678
66
TRP
CH2
116.6
1
5678
52
TRP
CH2
116.9
1
18292
78
TRP
CH2
117.027
1
6679
43
TRP
CH2
117.436
1
30221
43
TRP
CH2
117.602
1
15373
53
TRP
CH2
118.13
1
34325
105
TRP
CH2
118.23
1
19666
32
TRP
CH2
118.252
1
6766
54
TRP
CH2
118.351
1
6688
126
TRP
CH2
118.38
1
18591
55
TRP
CH2
118.68
1
16687
55
TRP
CH2
118.68
1
19967
98
TRP
CH2
118.686
1
6688
112
TRP
CH2
118.7
1
11143
17
TRP
CH2
118.758
1
11549
41
TRP
CH2
118.813
1
15314
65
TRP
CH2
118.871
1
6559
14
TRP
CH2
91.616
.