ASP CB Chemical Shift Outliers

___________________________________________________
ASP CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
53003
40.892
9.7
341.273
2.618


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4115
62
ASP
CB
138.16
1
25442
19
ASP
CB
340.189
.
25442
2
ASP
CB
341.273
.
5679
21
ASP
CB
48.8
1
4575
114
ASP
CB
49
1
10125
74
ASP
CB
49.135
1
19854
213
ASP
CB
49.607
1
4232
59
ASP
CB
50.67
1
4232
5
ASP
CB
50.92
1
4232
30
ASP
CB
50.99
1
6762
35
ASP
CB
51.091
.
6762
35
ASP
CB
51.091
.
4232
27
ASP
CB
51.14
1
4232
66
ASP
CB
51.38
1
4232
68
ASP
CB
51.39
1
19855
41
ASP
CB
51.949
1
4232
89
ASP
CB
52.12
1
4232
32
ASP
CB
52.23
1
4232
74
ASP
CB
53.42
1
4232
36
ASP
CB
54.62
1
18697
62
ASP
CB
54.893
1
18696
62
ASP
CB
54.947
1
25278
64
ASP
CB
55.9
1
15388
2
ASP
CB
57.83
1
5663
52
ASP
CB
58.51
.
19411
50
ASP
CB
63.2
1
25382
16
ASP
CB
68.439
.
25382
3
ASP
CB
68.941
.
25382
77
ASP
CB
69.992
.
15877
5
ASP
CB
71.191
1
15877
6
ASP
CB
71.552
1
15877
7
ASP
CB
71.933
1
15877
17
ASP
CB
72.278
1
4074
86
ASP
CB
74.38
1
4150
72
ASP
CB
78.985
.
4150
49
ASP
CB
80.35
.
4150
89
ASP
CB
80.379
.
4150
96
ASP
CB
80.745
.
4150
108
ASP
CB
80.94
.
4150
2
ASP
CB
81.369
.
4150
60
ASP
CB
81.484
.
5179
42
ASP
CB
88.88
.
5179
5
ASP
CB
89.08
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
11059
8
ASP
CB
16
1
17640
79
ASP
CB
17.145
1
16729
162
ASP
CB
17.692
1
16729
269
ASP
CB
17.716
1
17693
20
ASP
CB
18.45
1
11596
22
ASP
CB
18.465
1
19458
58
ASP
CB
19.1
.
15882
99
ASP
CB
19.488
1
18609
194
ASP
CB
25.007
1
5592
76
ASP
CB
25.7
1
25573
8
ASP
CB
26.5008
1
16050
24
ASP
CB
27.48
1
16729
136
ASP
CB
27.593
1
18609
191
ASP
CB
27.736
1
17940
177
ASP
CB
27.912
1
6583
25
ASP
CB
28
1
11453
33
ASP
CB
28.088
1
6493
5
ASP
CB
28.4
1
19063
23
ASP
CB
28.448
.
16501
127
ASP
CB
28.736
1
16729
131
ASP
CB
28.799
1
11453
14
ASP
CB
29.046
1
17940
176
ASP
CB
29.5
1
4284
122
ASP
CB
29.505
1
7130
145
ASP
CB
29.56
1
26780
20
ASP
CB
29.6
1
16367
251
ASP
CB
29.64
1
18316
3
ASP
CB
29.68
1
25281
67
ASP
CB
29.87
.
26592
30
ASP
CB
30.011
.
5175
17
ASP
CB
30.16
1
11453
63
ASP
CB
30.193
1
16729
277
ASP
CB
30.203
1
15960
29
ASP
CB
30.26
.
6725
87
ASP
CB
30.27
1
7192
27
ASP
CB
30.3
1
19063
70
ASP
CB
30.314
.
17693
15
ASP
CB
30.35
1
17626
74
ASP
CB
30.45
1
25088
67
ASP
CB
30.484
1
27122
196
ASP
CB
30.528
.
19458
122
ASP
CB
30.6504
.
25027
26
ASP
CB
30.663
1
17948
48
ASP
CB
30.7
1
27314
117
ASP
CB
30.7239
1
16729
169
ASP
CB
30.754
1
6254
72
ASP
CB
30.802
1
6249
100
ASP
CB
30.94
1
15158
100
ASP
CB
30.94
1
6404
46
ASP
CB
31
1
4894
90
ASP
CB
31
.
15324
50
ASP
CB
31.07
1
7181
75
ASP
CB
31.1
1
16984
273
ASP
CB
31.149
1
16837
79
ASP
CB
31.18
1
19063
32
ASP
CB
31.213
.
6625
115
ASP
CB
31.34
1
25701
125
ASP
CB
31.39
1
16984
44
ASP
CB
31.397
1
4431
90
ASP
CB
31.4
1
16729
320
ASP
CB
31.455
1
27121
196
ASP
CB
31.566
.
17693
23
ASP
CB
31.568
1
25510
44
ASP
CB
31.932
1
6625
85
ASP
CB
31.98
1
26942
78
ASP
CB
32.12
1
11540
35
ASP
CB
32.23
1
6586
27
ASP
CB
32.24
1
19063
51
ASP
CB
32.318
.
27043
124
ASP
CB
32.395
1
4267
48
ASP
CB
32.4
1
19443
138
ASP
CB
32.412
.
6586
112
ASP
CB
32.453
1
18620
86
ASP
CB
32.475
1
25239
178
ASP
CB
32.475
1
11453
44
ASP
CB
32.492
1
5679
104
ASP
CB
32.5
1
4070
180
ASP
CB
32.6
1
11453
41
ASP
CB
32.637
1
6586
54
ASP
CB
32.736
1
25754
9
ASP
CB
32.778
1
16337
162
ASP
CB
32.8
1
36001
89
ASP
CB
32.839
.
5221
184
ASP
CB
32.869
1
27411
84
ASP
CB
32.9
1
17755
117
ASP
CB
32.901
1
30021
150
ASP
CB
32.94
1
6586
28
ASP
CB
33.019
1
15007
24
ASP
CB
9.7
1