ASP CB Chemical Shift Outliers

___________________________________________________
ASP CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34991
40.902
9.7
180.89
2.071


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
15380
40
ASP
CB
180.89
1
6232
24
ASP
CB
47.16
1
5185
53
ASP
CB
47.18
1
6226
18
ASP
CB
47.2
1
16144
117
ASP
CB
47.2
1
18755
79
ASP
CB
47.221
1
5844
29
ASP
CB
47.234
1
5679
63
ASP
CB
47.3
1
7313
22
ASP
CB
47.3
1
4575
202
ASP
CB
47.3
1
6936
34
ASP
CB
47.334
1
5218
214
ASP
CB
47.4
1
5772
73
ASP
CB
47.433
1
16732
40
ASP
CB
47.44
1
18797
124
ASP
CB
47.49
1
10089
98
ASP
CB
47.5
1
18796
124
ASP
CB
47.5
1
6542
262
ASP
CB
47.53
1
17311
146
ASP
CB
47.535
1
17175
42
ASP
CB
47.6
1
5618
91
ASP
CB
47.67
1
17414
121
ASP
CB
47.673
1
5772
114
ASP
CB
47.675
1
6004
98
ASP
CB
47.7
1
6318
105
ASP
CB
47.7
1
10215
23
ASP
CB
47.804
1
16648
23
ASP
CB
47.85
1
10108
70
ASP
CB
47.877
1
15162
9
ASP
CB
47.89
1
5177
98
ASP
CB
47.9
1
15669
60
ASP
CB
47.92
1
17694
155
ASP
CB
48
.
15743
79
ASP
CB
48.1
1
16248
96
ASP
CB
48.129
1
4301
124
ASP
CB
48.3
1
18001
50
ASP
CB
48.4
1
18469
40
ASP
CB
48.444
1
15743
40
ASP
CB
48.5
1
16364
68
ASP
CB
48.5
1
5618
234
ASP
CB
48.53
1
5772
31
ASP
CB
48.64
1
18496
40
ASP
CB
48.656
1
5679
21
ASP
CB
48.8
1
4575
114
ASP
CB
49
1
10125
74
ASP
CB
49.135
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
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
15388
2
ASP
CB
57.83
1
5663
52
ASP
CB
58.51
.
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
15882
99
ASP
CB
19.488
1
5592
76
ASP
CB
25.7
1
16050
24
ASP
CB
27.48
1
16729
136
ASP
CB
27.593
1
17940
177
ASP
CB
27.912
1
6583
25
ASP
CB
28
1
6493
5
ASP
CB
28.4
1
16501
127
ASP
CB
28.736
1
16729
131
ASP
CB
28.799
1
17940
176
ASP
CB
29.5
1
4284
122
ASP
CB
29.505
1
7130
145
ASP
CB
29.56
1
16367
251
ASP
CB
29.64
1
18316
3
ASP
CB
29.68
1
5175
17
ASP
CB
30.16
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
17693
15
ASP
CB
30.35
1
17626
74
ASP
CB
30.45
1
17948
48
ASP
CB
30.7
1
16729
169
ASP
CB
30.754
1
6254
72
ASP
CB
30.802
1
15158
100
ASP
CB
30.94
1
6249
100
ASP
CB
30.94
1
4894
90
ASP
CB
31
.
6404
46
ASP
CB
31
1
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
6625
115
ASP
CB
31.34
1
16984
44
ASP
CB
31.397
1
4431
90
ASP
CB
31.4
1
16729
320
ASP
CB
31.455
1
4313
134
ASP
CB
31.5
1
17693
23
ASP
CB
31.568
1
6625
85
ASP
CB
31.98
1
6586
27
ASP
CB
32.24
1
4267
48
ASP
CB
32.4
1
6586
112
ASP
CB
32.453
1
18620
86
ASP
CB
32.475
1
5679
104
ASP
CB
32.5
1
4070
180
ASP
CB
32.6
1
6586
54
ASP
CB
32.736
1
16337
162
ASP
CB
32.8
1
5221
184
ASP
CB
32.869
1
17755
117
ASP
CB
32.901
1
6586
28
ASP
CB
33.019
1
7356
59
ASP
CB
33.052
1
4431
133
ASP
CB
33.2
1
4431
72
ASP
CB
33.2
1
6322
40
ASP
CB
33.449
1
4431
9
ASP
CB
33.6
1
4431
19
ASP
CB
33.6
1
4431
36
ASP
CB
33.6
1
4431
27
ASP
CB
33.6
1
6080
82
ASP
CB
33.669
1
15407
57
ASP
CB
33.692
1
5940
7
ASP
CB
33.757
1
18246
149
ASP
CB
33.98
1
6586
35
ASP
CB
34.011
1
16337
144
ASP
CB
34.1
1
11425
23
ASP
CB
34.153
1
4431
59
ASP
CB
34.2
1
6586
103
ASP
CB
34.223
1
15404
58
ASP
CB
34.346
1
1642
40
ASP
CB
34.45
1
11199
26
ASP
CB
34.469
1
18292
26
ASP
CB
34.503
1
16902
130
ASP
CB
34.572
1
16884
27
ASP
CB
34.6
1
16729
183
ASP
CB
34.601
1
15007
24
ASP
CB
9.7
1