ASP HB3 Chemical Shift Outliers

___________________________________________________
ASP HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
40079
2.666
-1.46
37.2
0.525


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
811
83
ASP
HB3
36
2
1486
83
ASP
HB3
36
2
812
83
ASP
HB3
36
1
813
83
ASP
HB3
36.3
1
814
83
ASP
HB3
36.5
1
1487
83
ASP
HB3
37.2
1
19117
123
ASP
HB3
4.32
2
4782
80
ASP
HB3
4.47
2
25477
2
ASP
HB3
4.489
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
25000
26
ASP
HB3
-.039
2
16574
31
ASP
HB3
-.126125
1
18502
21
ASP
HB3
-.182
2
17543
22
ASP
HB3
-.226
2
18500
21
ASP
HB3
-.226
2
16575
31
ASP
HB3
-.232
1
17529
26
ASP
HB3
-.362
2
5239
32
ASP
HB3
-1.46
2
15016
37
ASP
HB3
.019
.
25865
24
ASP
HB3
.026
2
10214
32
ASP
HB3
.091
2
12021
11
ASP
HB3
.097
.
18112
138
ASP
HB3
.157
2
18292
26
ASP
HB3
.172
2
10215
32
ASP
HB3
.172
2
25349
26
ASP
HB3
.263
2
25866
24
ASP
HB3
.293
2
19047
90
ASP
HB3
.388
1
19047
90
ASP
HB3
.4
1
16271
94
ASP
HB3
.409
9
15407
57
ASP
HB3
.472
2
6686
21
ASP
HB3
.48
.
19048
90
ASP
HB3
.507
1
19048
90
ASP
HB3
.527
1
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
25754
9
ASP
HB3
.849
2
18167
130
ASP
HB3
.882
2
16679
185
ASP
HB3
.89
2
4211
2
ASP
HB3
.92
1
34227
24
ASP
HB3
.942
2
34229
24
ASP
HB3
.942
2
17158
53
ASP
HB3
.944
2
4268
35
ASP
HB3
.95
2
30317
27
ASP
HB3
.958
.
16141
32
ASP
HB3
.97
.
18717
88
ASP
HB3
.974
2
4229
35
ASP
HB3
.982
2
4231
35
ASP
HB3
.982
.
4679
99
ASP
HB3
.9848
.
15369
31
ASP
HB3
.987
2
4722
30
ASP
HB3
.99
2
4722
100
ASP
HB3
.99
2
15685
59
ASP
HB3
.99
2
15361
94
ASP
HB3
.993
2
18953
109
ASP
HB3
0
2
18459
78
ASP
HB3
1.001
2
16250
76
ASP
HB3
1.018
2
30011
28
ASP
HB3
1.024
2
16648
92
ASP
HB3
1.025
2
4231
35
ASP
HB3
1.032
.
4229
35
ASP
HB3
1.032
2
19132
5
ASP
HB3
1.038
2
6132
12
ASP
HB3
1.08
2
10080
90
ASP
HB3
1.08
2
17755
19
ASP
HB3
1.086
2