TRP HH2 Chemical Shift Outliers

___________________________________________________
TRP HH2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
6862
6.950
2.84
10.9
0.459


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17091
1
TRP
HH2
10.07
1
4498
42
TRP
HH2
10.17
.
5988
11
TRP
HH2
10.9
1
5902
36
TRP
HH2
8.414
1
17808
61
TRP
HH2
8.633
.
17988
49
TRP
HH2
8.797
1
5988
28
TRP
HH2
9.54
1
16849
37
TRP
HH2
9.587
1
15375
37
TRP
HH2
9.587
1
4475
24
TRP
HH2
9.75
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
1166
5
TRP
HH2
2.84
1
1163
5
TRP
HH2
2.86
1
1165
5
TRP
HH2
2.86
1
1166
133
TRP
HH2
2.86
1
1168
133
TRP
HH2
2.87
1
1168
5
TRP
HH2
2.87
1
1167
5
TRP
HH2
2.87
1
1347
5
TRP
HH2
2.88
1
1348
5
TRP
HH2
2.88
1
1164
5
TRP
HH2
2.88
1
1164
133
TRP
HH2
2.88
1
1165
133
TRP
HH2
2.88
1
1167
133
TRP
HH2
2.89
1
1348
133
TRP
HH2
2.89
1
1347
133
TRP
HH2
2.89
1
1163
133
TRP
HH2
2.89
1
1346
133
TRP
HH2
2.89
1
1168
158
TRP
HH2
3.41
1
1167
158
TRP
HH2
3.42
1
1348
158
TRP
HH2
3.42
1
1347
158
TRP
HH2
3.43
1
1165
158
TRP
HH2
3.43
1
1164
158
TRP
HH2
3.43
1
1163
158
TRP
HH2
3.44
1
1164
21
TRP
HH2
3.58
1
1348
21
TRP
HH2
3.62
1
1346
21
TRP
HH2
3.65
1
1347
21
TRP
HH2
3.66
1
1167
21
TRP
HH2
3.69
1
1165
21
TRP
HH2
3.7
1
1168
21
TRP
HH2
3.72
1
1163
21
TRP
HH2
3.74
1
4435
68
TRP
HH2
3.97
1
18433
93
TRP
HH2
4.372
.
11114
47
TRP
HH2
4.392
1
15344
69
TRP
HH2
4.53
1
30423
145
TRP
HH2
4.781
1
17062
28
TRP
HH2
4.895
1
5075
49
TRP
HH2
4.92
1
7285
4
TRP
HH2
4.93
1
4276
29
TRP
HH2
4.94
1
3322
4
TRP
HH2
4.95
1
4833
73
TRP
HH2
4.96
1
19842
163
TRP
HH2
4.963
1
5299
67
TRP
HH2
5.01
1
6298
153
TRP
HH2
5.019
.
15941
87
TRP
HH2
5.07
1
10263
27
TRP
HH2
5.081
1
18837
122
TRP
HH2
5.108
1
15419
39
TRP
HH2
5.11
1
25188
104
TRP
HH2
5.135
1
5981
113
TRP
HH2
5.142
1
16466
29
TRP
HH2
5.159
1
6910
48
TRP
HH2
5.17
1
18431
78
TRP
HH2
5.17
.
7179
5
TRP
HH2
5.19
1
10065
49
TRP
HH2
5.2
1
15098
71
TRP
HH2
5.203
1
19354
66
TRP
HH2
5.215
1
7195
113
TRP
HH2
5.22
.
17420
30
TRP
HH2
5.221
1
17232
132
TRP
HH2
5.238
1
4830
141
TRP
HH2
5.26
1
4782
82
TRP
HH2
5.26
1
353
26
TRP
HH2
5.27
1
5262
39
TRP
HH2
5.28
1
4510
40
TRP
HH2
5.3
1
6578
141
TRP
HH2
5.3
1
25798
117
TRP
HH2
5.302
1
11497
65
TRP
HH2
5.336
1
6406
104
TRP
HH2
5.336
1
18667
98
TRP
HH2
5.36
1
25102
30
TRP
HH2
5.364
1
1474
29
TRP
HH2
5.39
1
4384
91
TRP
HH2
5.403
1
18250
141
TRP
HH2
5.405
1
4700
31
TRP
HH2
5.415
1
25799
117
TRP
HH2
5.423
1
18011
34
TRP
HH2
5.425
1
6840
67
TRP
HH2
5.43
1
18278
60
TRP
HH2
5.441
1
10035
87
TRP
HH2
5.455
1
5880
51
TRP
HH2
5.476
1
34227
21
TRP
HH2
5.481
1
34229
21
TRP
HH2
5.481
1
4452
88
TRP
HH2
5.489
1
16174
55
TRP
HH2
5.509
1
17146
58
TRP
HH2
5.51
1
4471
57
TRP
HH2
5.52
1
16473
54
TRP
HH2
5.54
1
6221
31
TRP
HH2
5.543
1
16773
141
TRP
HH2
5.554
1
1477
31
TRP
HH2
5.556
1
16772
141
TRP
HH2
5.561
1
34047
54
TRP
HH2
5.562
1
2261
26
TRP
HH2
5.57
1
349
31
TRP
HH2
5.57
1