ASP C Chemical Shift Outliers

___________________________________________________
ASP C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
31249
176.440
166.8
182.7
1.697


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6152
29
ASP
C
181.609
.
4318
150
ASP
C
181.65
1
10097
36
ASP
C
181.721
1
19987
6
ASP
C
181.744
1
5200
85
ASP
C
181.8
.
5471
459
ASP
C
181.81
1
15117
12
ASP
C
181.85
1
5797
62
ASP
C
181.9
1
19657
55
ASP
C
181.906
1
17231
32
ASP
C
181.94
1
26693
9
ASP
C
182
1
15117
34
ASP
C
182.08
1
18868
6
ASP
C
182.313
1
7425
50
ASP
C
182.527
1
19953
73
ASP
C
182.643
1
19987
32
ASP
C
182.699
1
5455
57
ASP
C
182.7
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4259
79
ASP
C
166.8
1
4259
1
ASP
C
167.7
1
16984
251
ASP
C
167.939
1
6912
56
ASP
C
168.1
1
5514
180
ASP
C
168.37
1
4998
13
ASP
C
168.61
1
5514
102
ASP
C
168.69
1
16984
262
ASP
C
168.714
1
18509
83
ASP
C
168.737
1
18708
83
ASP
C
168.737
1
16984
18
ASP
C
168.813
1
16984
54
ASP
C
168.821
1
6134
72
ASP
C
168.9
1
17443
19
ASP
C
168.958
1
5514
155
ASP
C
168.99
1
18887
54
ASP
C
169.07
.
16984
25
ASP
C
169.231
1
16984
227
ASP
C
169.243
1
6586
35
ASP
C
169.244
1
16984
182
ASP
C
169.254
1
16984
127
ASP
C
169.267
1
16948
17
ASP
C
169.305
1
16630
107
ASP
C
169.424
1
16205
65
ASP
C
169.527
1
25995
79
ASP
C
169.553
1
26717
76
ASP
C
169.6
1
16984
202
ASP
C
169.679
1
16157
71
ASP
C
169.692
1
27617
208
ASP
C
169.7
1
6073
110
ASP
C
169.71
.
16204
65
ASP
C
169.712
1
7271
72
ASP
C
169.77
1
5514
234
ASP
C
169.79
1
6868
80
ASP
C
169.848
1
16948
37
ASP
C
169.852
1
16188
31
ASP
C
169.871
1
5514
216
ASP
C
169.89
1
6713
39
ASP
C
169.9
1
15128
116
ASP
C
169.908
1
11085
94
ASP
C
169.921
1
18000
159
ASP
C
169.94
1
15722
44
ASP
C
170.02
1
6903
20
ASP
C
170.039
1
6586
103
ASP
C
170.065
1
11129
63
ASP
C
170.091
1
15960
25
ASP
C
170.12
.
5514
173
ASP
C
170.14
1
7119
112
ASP
C
170.161
1
26948
30
ASP
C
170.2
1
15722
41
ASP
C
170.202
1
6875
31
ASP
C
170.21
1
15783
25
ASP
C
170.281
.
6912
24
ASP
C
170.3
1
7193
60
ASP
C
170.308
1
5514
133
ASP
C
170.34
1
15128
57
ASP
C
170.365
1
4722
65
ASP
C
170.4
1
15128
152
ASP
C
170.413
1
18204
72
ASP
C
170.425
1
5407
97
ASP
C
170.453
.
6073
90
ASP
C
170.46
.
17388
82
ASP
C
170.488
1
15722
61
ASP
C
170.491
1
6195
66
ASP
C
170.5
.
16884
93
ASP
C
170.5
1
6196
80
ASP
C
170.5
.
10240
37
ASP
C
170.506
1
25173
64
ASP
C
170.514
1
5813
36
ASP
C
170.532
1
16948
64
ASP
C
170.559
1
27019
111
ASP
C
170.565
.
27065
82
ASP
C
170.568
1
30341
1
ASP
C
170.591
1
4722
32
ASP
C
170.6
1
6783
79
ASP
C
170.63
1
19560
52
ASP
C
170.67
1
17692
20
ASP
C
170.684
1
25995
41
ASP
C
170.763
1
6713
72
ASP
C
170.8
1
6809
213
ASP
C
170.8
.
17826
126
ASP
C
170.806
1
4961
106
ASP
C
170.831
1
26844
83
ASP
C
170.878
1
6134
49
ASP
C
170.9
1
30375
218
ASP
C
170.956
.
7286
64
ASP
C
170.96
1
15789
59
ASP
C
170.967
1
25760
33
ASP
C
170.979
.
6051
74
ASP
C
170.98
1
16948
30
ASP
C
170.982
1
16948
95
ASP
C
170.982
1
17692
12
ASP
C
170.999
1
16884
61
ASP
C
171
1
4758
26
ASP
C
171
1
5704
40
ASP
C
171.002
1
6824
56
ASP
C
171.008
1
30375
130
ASP
C
171.01
.
17692
3
ASP
C
171.022
1
15796
81
ASP
C
171.057
1
30070
47
ASP
C
171.066
1
5511
118
ASP
C
171.07
1
17126
264
ASP
C
171.084
1
11442
79
ASP
C
171.092
1
16719
63
ASP
C
171.098
.
7313
214
ASP
C
171.1
1
16948
52
ASP
C
171.112
1
17692
47
ASP
C
171.115
1
4558
106
ASP
C
171.13
1
18708
101
ASP
C
171.144
1
18509
101
ASP
C
171.144
1
15796
81
ASP
C
171.144
1
25995
63
ASP
C
171.146
1
16205
177
ASP
C
171.148
1
25851
12
ASP
C
171.157
1
25995
117
ASP
C
171.162
1
6111
34
ASP
C
171.17
1
27019
43
ASP
C
171.179
.
16164
86
ASP
C
171.18
1
5407
98
ASP
C
171.187
.
15606
17
ASP
C
171.2
1
16884
46
ASP
C
171.2
1
11425
23
ASP
C
171.2
1
27411
170
ASP
C
171.2
1
34194
22
ASP
C
171.211
1
17692
37
ASP
C
171.213
1
7300
89
ASP
C
171.22
1
27067
208
ASP
C
171.232
1
17203
37
ASP
C
171.24
1
6725
2
ASP
C
171.25
1
19560
143
ASP
C
171.26
1
16204
177
ASP
C
171.26
1
17447
110
ASP
C
171.276
1
27019
105
ASP
C
171.278
.
25803
75
ASP
C
171.282
1
16713
21
ASP
C
171.294
1
27859
41
ASP
C
171.3
.
6311
47
ASP
C
171.3
1
4127
111
ASP
C
171.3
1
5115
21
ASP
C
171.3
1
17830
23
ASP
C
171.309
1
17831
23
ASP
C
171.316
1
25803
50
ASP
C
171.326
1
34141
81
ASP
C
171.333
.
17512
35
ASP
C
171.34
.