TRP HB2 Chemical Shift Outliers

___________________________________________________
TRP HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
6065
3.194
.678
4.54
0.340


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16018
71
TRP
HB2
4.377
1
2950
58
TRP
HB2
4.54
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25086
26
TRP
HB2
.678
2
5072
155
TRP
HB2
.875
2
5807
49
TRP
HB2
1.28
2
18882
153
TRP
HB2
1.316
.
27677
172
TRP
HB2
1.323
2
6901
62
TRP
HB2
1.325
2
4410
23
TRP
HB2
1.33
2
18569
89
TRP
HB2
1.334
2
11531
62
TRP
HB2
1.355
.
15707
21
TRP
HB2
1.402
2
11088
30
TRP
HB2
1.421
2
6654
26
TRP
HB2
1.43
2
25437
114
TRP
HB2
1.434
.
15126
21
TRP
HB2
1.437
2
19149
29
TRP
HB2
1.45
.
7273
28
TRP
HB2
1.488
.
16082
16
TRP
HB2
1.49
2
16549
18
TRP
HB2
1.506
2
6159
38
TRP
HB2
1.51
2
15280
49
TRP
HB2
1.53
1
30296
9
TRP
HB2
1.616
2
19807
110
TRP
HB2
1.631
2
16549
14
TRP
HB2
1.635
2
16018
65
TRP
HB2
1.664
1
11134
16
TRP
HB2
1.69
2
19807
119
TRP
HB2
1.72
2
30034
99
TRP
HB2
1.76
2
19906
11
TRP
HB2
1.79
1
10131
48
TRP
HB2
1.8
2
6222
17
TRP
HB2
1.81
1
3441
62
TRP
HB2
1.82
1
4562
62
TRP
HB2
1.82
1
15061
49
TRP
HB2
1.826
2
5068
63
TRP
HB2
1.83
2
7160
62
TRP
HB2
1.83
.
4943
62
TRP
HB2
1.84
1
4943
62
TRP
HB2
1.84
1
6415
63
TRP
HB2
1.84
2
21008
4
TRP
HB2
1.849
2
17452
58
TRP
HB2
1.8619
2
4092
115
TRP
HB2
1.87
2
11088
40
TRP
HB2
1.873
2
2858
62
TRP
HB2
1.89
1
5803
63
TRP
HB2
1.91
2
26844
54
TRP
HB2
1.912
2
16139
56
TRP
HB2
1.94
.
15776
58
TRP
HB2
1.94
2
5804
63
TRP
HB2
1.95
2
30410
20
TRP
HB2
1.953
.
25350
71
TRP
HB2
1.96
1
27725
67
TRP
HB2
1.967
2
5696
13
TRP
HB2
1.97
2
16642
40
TRP
HB2
1.981
2
2249
50
TRP
HB2
1.99
2
6120
33
TRP
HB2
1.99
1
21013
6
TRP
HB2
2
2
16163
68
TRP
HB2
2.005
1
25132
148
TRP
HB2
2.023
1
34336
21
TRP
HB2
2.024
.
17447
33
TRP
HB2
2.025
2
11179
43
TRP
HB2
2.034
2
25659
24
TRP
HB2
2.039
2
16991
56
TRP
HB2
2.045
2
16840
33
TRP
HB2
2.05
2
19023
55
TRP
HB2
2.054
2
16266
58
TRP
HB2
2.056
2
16061
52
TRP
HB2
2.063
2
26661
31
TRP
HB2
2.064
2
15935
57
TRP
HB2
2.065
2
5334
15
TRP
HB2
2.07
2
16305
116
TRP
HB2
2.077
2
17960
105
TRP
HB2
2.085
2
18249
97
TRP
HB2
2.087
2
6726
31
TRP
HB2
2.088
2
5237
38
TRP
HB2
2.096
1
6777
44
TRP
HB2
2.097
1
5783
61
TRP
HB2
2.099
1
18989
91
TRP
HB2
2.1
2
18098
89
TRP
HB2
2.113
2
5943
69
TRP
HB2
2.115
2
18415
73
TRP
HB2
2.126
2
7261
53
TRP
HB2
2.13
2
6760
35
TRP
HB2
2.16
2
7312
114
TRP
HB2
2.162
1
19463
54
TRP
HB2
2.167
1
6079
37
TRP
HB2
2.171
1