TRP HH2 Chemical Shift Outliers

___________________________________________________
TRP HH2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
4584
6.977
4.372
10.17
0.363


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
.
11299
43
TRP
HH2
8.075
1
6868
60
TRP
HH2
8.219
1
19282
79
TRP
HH2
8.263
.
5902
36
TRP
HH2
8.414
1
17988
49
TRP
HH2
8.797
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18433
93
TRP
HH2
4.372
.
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
10263
27
TRP
HH2
5.081
1
18837
122
TRP
HH2
5.108
1
15419
39
TRP
HH2
5.11
1
6910
48
TRP
HH2
5.17
1
18431
78
TRP
HH2
5.17
.
7179
5
TRP
HH2
5.19
1
15098
71
TRP
HH2
5.203
1
19354
66
TRP
HH2
5.215
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
6406
104
TRP
HH2
5.336
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
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
5880
51
TRP
HH2
5.476
1
16174
55
TRP
HH2
5.509
1
16473
54
TRP
HH2
5.54
1
6221
31
TRP
HH2
5.543
1
1477
31
TRP
HH2
5.556
1
16772
141
TRP
HH2
5.561
1
2261
26
TRP
HH2
5.57
1
349
31
TRP
HH2
5.57
1
5524
76
TRP
HH2
5.58
1
1476
31
TRP
HH2
5.598
1
19551
175
TRP
HH2
5.6
1
4377
42
TRP
HH2
5.6
1
5012
48
TRP
HH2
5.6
1
4830
81
TRP
HH2
5.61
1
16406
70
TRP
HH2
5.612
1
6334
86
TRP
HH2
5.616
1
34037
21
TRP
HH2
5.616
1
2852
95
TRP
HH2
5.63
1
19320
76
TRP
HH2
5.631
1
19241
59
TRP
HH2
5.641
1
19240
59
TRP
HH2
5.641
1
11086
30
TRP
HH2
5.666
1
5558
53
TRP
HH2
5.67
1
5628
124
TRP
HH2
5.67
1
4049
69
TRP
HH2
5.68
1
6620
191
TRP
HH2
5.683
1
17713
70
TRP
HH2
5.69
1
7231
188
TRP
HH2
5.691
1
11086
117
TRP
HH2
5.694
1
18415
88
TRP
HH2
5.736
1
18761
45
TRP
HH2
5.751
1
18158
72
TRP
HH2
5.76
1
11337
29
TRP
HH2
5.763
1
11057
131
TRP
HH2
5.78
1
1991
36
TRP
HH2
5.81
1
7118
7
TRP
HH2
5.812
.
10107
103
TRP
HH2
5.814
1
18874
51
TRP
HH2
5.827
1
16312
78
TRP
HH2
5.84
1
18001
72
TRP
HH2
5.84
1
7210
51
TRP
HH2
5.846
1
18947
23
TRP
HH2
5.86
1
11353
47
TRP
HH2
5.862
1
5122
24
TRP
HH2
5.868
1
17890
125
TRP
HH2
5.868
1
16174
44
TRP
HH2
5.872
1
11354
57
TRP
HH2
5.872
1
5121
25
TRP
HH2
5.873
1
17902
125
TRP
HH2
5.88
1
11352
57
TRP
HH2
5.887
1