TRP NE1 Chemical Shift Outliers

___________________________________________________
TRP NE1 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
4819
129.277
106
139.734
2.047


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18526
135
TRP
NE1
135.561
1
5308
31
TRP
NE1
135.674
1
5578
106
TRP
NE1
135.8
.
4242
108
TRP
NE1
135.9
1
19843
49
TRP
NE1
135.913
.
30537
58
TRP
NE1
136
1
7108
28
TRP
NE1
136.02
1
15807
39
TRP
NE1
136.053
1
7109
28
TRP
NE1
136.525
1
17300
35
TRP
NE1
136.793
1
17299
35
TRP
NE1
137.15
1
16649
6
TRP
NE1
137.528
1
5578
109
TRP
NE1
137.9
.
30137
72
TRP
NE1
138.04
1
30137
13
TRP
NE1
138.221
1
5240
28
TRP
NE1
138.3
1
5241
28
TRP
NE1
138.3
1
11225
45
TRP
NE1
138.872
1
6269
32
TRP
NE1
139.2
1
25703
29
TRP
NE1
139.734
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16336
56
TRP
NE1
106
1
16179
56
TRP
NE1
107.307
1
15028
28
TRP
NE1
107.644
1
16549
14
TRP
NE1
108.084
1
16549
18
TRP
NE1
108.084
1
7002
30
TRP
NE1
112.06
1
25923
135
TRP
NE1
113.109
.
11423
70
TRP
NE1
115.641
1
5316
211
TRP
NE1
116.767
1
17738
81
TRP
NE1
116.989
1
19479
22
TRP
NE1
117.712
.
19241
59
TRP
NE1
117.791
1
19240
59
TRP
NE1
117.833
1
11061
83
TRP
NE1
117.933
1
19551
175
TRP
NE1
118.5
1
18278
60
TRP
NE1
118.591
1
19108
94
TRP
NE1
118.865
.
17713
70
TRP
NE1
118.927
1
16933
59
TRP
NE1
119.9102
1
10254
75
TRP
NE1
120.111
1
18837
50
TRP
NE1
120.143
1
17711
107
TRP
NE1
120.1722
1
18001
72
TRP
NE1
120.2
1
34239
40
TRP
NE1
120.539
.
34085
25
TRP
NE1
120.909
1
16881
108
TRP
NE1
121.2
1
10270
39
TRP
NE1
121.288
1
17830
35
TRP
NE1
121.607
1
17831
35
TRP
NE1
121.647
1
6406
35
TRP
NE1
121.65
1
4081
76
TRP
NE1
121.68
1
15507
86
TRP
NE1
121.824
1
18344
76
TRP
NE1
121.914
1
11516
123
TRP
NE1
121.953
1
19703
56
TRP
NE1
121.969
.
18908
35
TRP
NE1
122.001
1
18135
76
TRP
NE1
122.02
1
26936
35
TRP
NE1
122.02
1
19627
91
TRP
NE1
122.222
1
19109
12
TRP
NE1
122.437
1
19256
146
TRP
NE1
122.4819
.
26541
146
TRP
NE1
122.557
1
25149
66
TRP
NE1
122.571
1
4969
36
TRP
NE1
122.6
1
19066
146
TRP
NE1
122.61
1
25829
162
TRP
NE1
122.689
1
19254
146
TRP
NE1
122.696
.
19255
146
TRP
NE1
122.696
.
15759
27
TRP
NE1
122.98
1
5178
24
TRP
NE1
122.98
1
11119
38
TRP
NE1
123.078
1
34239
37
TRP
NE1
123.126
.