TRP HE3 Chemical Shift Outliers

___________________________________________________
TRP HE3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
6896
7.294
1.85
11.362
0.521


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4656
24
TRP
HE3
10.08
.
4645
29
TRP
HE3
10.09
.
15736
145
TRP
HE3
10.158
1
15736
132
TRP
HE3
10.437
1
19151
44
TRP
HE3
10.815
.
25153
56
TRP
HE3
11.362
.
77
9
TRP
HE3
8.89
1
17300
32
TRP
HE3
8.915
1
77
13
TRP
HE3
8.98
1
19151
144
TRP
HE3
9.258
.
4062
8
TRP
HE3
9.67
1
19151
140
TRP
HE3
9.695
.
19149
29
TRP
HE3
9.85
.
15736
150
TRP
HE3
9.931
1
25459
32
TRP
HE3
9.932
1
4229
64
TRP
HE3
9.94
2
18302
8
TRP
HE3
9.949
1
15736
43
TRP
HE3
9.964
1
4229
64
TRP
HE3
9.98
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1167
133
TRP
HE3
1.85
1
1168
133
TRP
HE3
1.9
1
1347
133
TRP
HE3
1.91
1
1348
133
TRP
HE3
1.91
1
1346
133
TRP
HE3
1.92
1
1164
133
TRP
HE3
1.98
1
1163
133
TRP
HE3
1.98
1
1165
133
TRP
HE3
1.98
1
1164
21
TRP
HE3
2.28
1
1348
21
TRP
HE3
2.31
1
1346
21
TRP
HE3
2.31
1
1347
21
TRP
HE3
2.33
1
1163
21
TRP
HE3
2.38
1
1167
21
TRP
HE3
2.38
1
1168
21
TRP
HE3
2.39
1
1165
21
TRP
HE3
2.4
1
1166
5
TRP
HE3
3.37
1
1165
5
TRP
HE3
3.43
1
1163
5
TRP
HE3
3.43
1
1164
5
TRP
HE3
3.44
1
1167
5
TRP
HE3
3.45
1
1168
5
TRP
HE3
3.45
1
1347
5
TRP
HE3
3.46
1
1348
5
TRP
HE3
3.46
1
1164
158
TRP
HE3
3.74
1
10035
114
TRP
HE3
4.567
1
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
17752
94
TRP
HE3
5.097
1
10311
32
TRP
HE3
5.127
1
11089
43
TRP
HE3
5.157
1
10314
28
TRP
HE3
5.164
1
34044
42
TRP
HE3
5.184
1
10115
27
TRP
HE3
5.194
1
10319
28
TRP
HE3
5.208
1
4082
31
TRP
HE3
5.25
1
5198
11
TRP
HE3
5.26
2
25802
117
TRP
HE3
5.262
1
30150
140
TRP
HE3
5.265
1
11088
30
TRP
HE3
5.29
1
11345
87
TRP
HE3
5.329
1
4313
38
TRP
HE3
5.34
1
5623
43
TRP
HE3
5.35
1
21002
11
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
19945
57
TRP
HE3
5.45
.
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
17882
47
TRP
HE3
5.52
1
25434
54
TRP
HE3
5.526
.
11158
46
TRP
HE3
5.528
1
10296
54
TRP
HE3
5.528
1
17949
63
TRP
HE3
5.544
1
16252
54
TRP
HE3
5.555
1
17691
42
TRP
HE3
5.565
1
2283
45
TRP
HE3
5.57
1
11431
47
TRP
HE3
5.59
1
11430
46
TRP
HE3
5.59
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
4853
48
TRP
HE3
5.64
1
19503
28
TRP
HE3
5.643
1
17311
133
TRP
HE3
5.645
1
7203
53
TRP
HE3
5.65
.
18235
120
TRP
HE3
5.65
1
15808
33
TRP
HE3
5.672
1
11105
115
TRP
HE3
5.678
1
4262
133
TRP
HE3
5.68
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
17310
133
TRP
HE3
5.714
1
30296
37
TRP
HE3
5.715
1
16293
28
TRP
HE3
5.715
1
5396
133
TRP
HE3
5.718
1
5036
43
TRP
HE3
5.72
.
21002
4
TRP
HE3
5.72
1