TRP NE1 Chemical Shift Outliers

___________________________________________________
TRP NE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
7200
129.264
.53
435.96
6.424


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15877
8
TRP
NE1
160.134
1
498
62
TRP
NE1
249.5
1
25442
31
TRP
NE1
428.542
.
25442
18
TRP
NE1
435.96
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4038
14
TRP
NE1
.53
1
25410
152
TRP
NE1
10.241
1
19945
160
TRP
NE1
103.522
.
16336
56
TRP
NE1
106
1
19946
95
TRP
NE1
106.171
.
4160
42
TRP
NE1
106.75
1
19608
68
TRP
NE1
107.15
1
19608
53
TRP
NE1
107.208
1
16179
56
TRP
NE1
107.307
1
15028
28
TRP
NE1
107.644
1
19608
93
TRP
NE1
107.728
1
4165
42
TRP
NE1
107.96
1
16549
14
TRP
NE1
108.084
1
16549
18
TRP
NE1
108.084
1
19608
107
TRP
NE1
108.348
1
15599
49
TRP
NE1
108.56
1
6692
60
TRP
NE1
108.661
1
19608
33
TRP
NE1
108.826
1
6906
49
TRP
NE1
109.2
9
19608
5
TRP
NE1
109.226
1
6625
49
TRP
NE1
109.45
1
19994
64
TRP
NE1
58.929
.
4224
8
TRP
NE1
71.67
1
25278
114
TRP
NE1
9.54
1
30334
36
TRP
NE1
99.402
.