ASP HB3 Chemical Shift Outliers

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ASP HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29455
2.671
-1.46
37.2
0.591


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6686
65
ASP
HB3
10.08
.
505
81
ASP
HB3
35.6
2
1486
83
ASP
HB3
36
2
812
83
ASP
HB3
36
1
811
83
ASP
HB3
36
2
813
83
ASP
HB3
36.3
1
814
83
ASP
HB3
36.5
1
1487
83
ASP
HB3
37.2
1
4782
80
ASP
HB3
4.47
2
4890
2
ASP
HB3
4.58
1
4837
98
ASP
HB3
4.92
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18502
21
ASP
HB3
-.182
2
18500
21
ASP
HB3
-.226
2
17543
22
ASP
HB3
-.226
2
17529
26
ASP
HB3
-.362
2
5239
32
ASP
HB3
-1.46
2
15016
37
ASP
HB3
.019
.
10214
32
ASP
HB3
.091
2
18112
138
ASP
HB3
.157
2
10215
32
ASP
HB3
.172
2
18292
26
ASP
HB3
.172
2
16271
94
ASP
HB3
.409
9
15407
57
ASP
HB3
.472
2
6686
21
ASP
HB3
.48
.
18415
66
ASP
HB3
.568
2
4064
98
ASP
HB3
.58
2
6890
29
ASP
HB3
.59
2
6086
27
ASP
HB3
.602
2
4173
99
ASP
HB3
.65
2
6120
52
ASP
HB3
.67
2
15710
38
ASP
HB3
.717
2
11040
37
ASP
HB3
.722
2
15746
82
ASP
HB3
.733
2
4291
71
ASP
HB3
.745
1
5156
33
ASP
HB3
.77
2
15663
127
ASP
HB3
.78
1
18053
30
ASP
HB3
.789
2
15404
58
ASP
HB3
.798
2
16643
57
ASP
HB3
.822
2
7192
38
ASP
HB3
.84
2
18167
130
ASP
HB3
.882
2
16679
185
ASP
HB3
.89
2
18953
109
ASP
HB3
0
2