TRP HE3 Chemical Shift Outliers

___________________________________________________
TRP HE3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
3482
7.317
4.89
9.949
0.409


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6231
23
TRP
HE3
8.57
1
5506
57
TRP
HE3
8.62
1
6345
110
TRP
HE3
8.793
.
17300
32
TRP
HE3
8.915
1
19149
29
TRP
HE3
9.85
.
18302
8
TRP
HE3
9.949
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4161
57
TRP
HE3
4.89
1
18415
113
TRP
HE3
4.967
1
5880
44
TRP
HE3
4.998
1
16163
68
TRP
HE3
5.068
1
4342
80
TRP
HE3
5.08
1
10115
27
TRP
HE3
5.194
1
5198
11
TRP
HE3
5.26
2
11088
30
TRP
HE3
5.29
1
11345
87
TRP
HE3
5.329
1
5623
43
TRP
HE3
5.35
1
10250
38
TRP
HE3
5.359
1
16082
16
TRP
HE3
5.417
1
10039
28
TRP
HE3
5.441
1
11228
56
TRP
HE3
5.463
1
7105
43
TRP
HE3
5.48
1
11142
35
TRP
HE3
5.497
1
17147
50
TRP
HE3
5.5
1
16252
54
TRP
HE3
5.555
1
17691
42
TRP
HE3
5.565
1
2283
45
TRP
HE3
5.57
1
10293
54
TRP
HE3
5.597
1
11126
35
TRP
HE3
5.598
1
16883
24
TRP
HE3
5.602
1
17323
64
TRP
HE3
5.602
1
7105
127
TRP
HE3
5.62
1
7203
50
TRP
HE3
5.65
.
15808
33
TRP
HE3
5.672
1
6469
52
TRP
HE3
5.682
4
6469
43
TRP
HE3
5.682
1
17633
153
TRP
HE3
5.685
1
11145
37
TRP
HE3
5.695
1
16407
11
TRP
HE3
5.7
1
5397
35
TRP
HE3
5.74
1
16163
62
TRP
HE3
5.74
1
15973
3
TRP
HE3
5.769
1
5224
87
TRP
HE3
5.78
1
7024
58
TRP
HE3
5.797
.
11132
50
TRP
HE3
5.8
1
16399
4
TRP
HE3
5.84
1
18507
24
TRP
HE3
5.854
1
17390
91
TRP
HE3
5.855
1
11324
42
TRP
HE3
5.86
1
10248
46
TRP
HE3
5.864
1
5946
50
TRP
HE3
5.885
3
6363
61
TRP
HE3
5.9
1
11087
32
TRP
HE3
5.901
1
18375
32
TRP
HE3
5.92
1
17536
10
TRP
HE3
5.924
1
18183
15
TRP
HE3
5.929
1
4839
51
TRP
HE3
5.93
1
6514
71
TRP
HE3
5.94
1
10298
53
TRP
HE3
5.96
1
6287
78
TRP
HE3
5.986
1
4869
59
TRP
HE3
5.99
1
10252
56
TRP
HE3
6
1
16263
45
TRP
HE3
6.011
.
6738
83
TRP
HE3
6.012
3
15038
78
TRP
HE3
6.023
1
10297
50
TRP
HE3
6.041
1
6531
77
TRP
HE3
6.057
.
5991
75
TRP
HE3
6.074
1