TRP HE3 Chemical Shift Outliers

___________________________________________________
TRP HE3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
4618
7.318
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
19282
65
TRP
HE3
8.622
.
6345
110
TRP
HE3
8.793
.
17300
32
TRP
HE3
8.915
1
19149
29
TRP
HE3
9.85
.
25459
32
TRP
HE3
9.932
1
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
10317
42
TRP
HE3
4.984
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
4082
31
TRP
HE3
5.25
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
34068
51
TRP
HE3
5.354
.
10250
38
TRP
HE3
5.359
1
34067
51
TRP
HE3
5.364
3
34078
49
TRP
HE3
5.417
1
19508
16
TRP
HE3
5.417
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
11147
140
TRP
HE3
5.49
1
11142
35
TRP
HE3
5.497
1
17147
50
TRP
HE3
5.5
1
4218
47
TRP
HE3
5.508
1
25434
54
TRP
HE3
5.526
.
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
17323
64
TRP
HE3
5.602
1
19504
6
TRP
HE3
5.602
1
16883
24
TRP
HE3
5.602
1
7105
127
TRP
HE3
5.62
1
7203
53
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
17823
22
TRP
HE3
5.686
1
19729
22
TRP
HE3
5.686
1
11145
37
TRP
HE3
5.695
1
16407
11
TRP
HE3
5.7
1
30352
53
TRP
HE3
5.712
1
30296
37
TRP
HE3
5.715
1
17890
125
TRP
HE3
5.733
1
5397
35
TRP
HE3
5.74
1
16163
62
TRP
HE3
5.74
1
34037
76
TRP
HE3
5.75
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
17902
125
TRP
HE3
5.806
1
34285
33
TRP
HE3
5.816
.
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
25744
40
TRP
HE3
5.873
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
25102
30
TRP
HE3
6.005
1
16263
45
TRP
HE3
6.011
.
6738
83
TRP
HE3
6.012
3
15038
78
TRP
HE3
6.023
1
11147
56
TRP
HE3
6.031
1
30345
71
TRP
HE3
6.036
.
10297
50
TRP
HE3
6.041
1
6531
77
TRP
HE3
6.057
.
30345
71
TRP
HE3
6.058
.
5991
75
TRP
HE3
6.074
1
25944
45
TRP
HE3
6.079
.