ASP CB Chemical Shift Outliers

___________________________________________________
ASP CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
12062
40.819
28
51.091
1.674


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6416
176
ASP
CB
45.85
.
5850
36
ASP
CB
45.878
1
5013
22
ASP
CB
45.88
1
6433
69
ASP
CB
45.88
1
15471
61
ASP
CB
45.882
1
5194
6
ASP
CB
45.884
1
6973
10
ASP
CB
45.89
.
4109
29
ASP
CB
45.899
1
6226
102
ASP
CB
45.9
1
6224
93
ASP
CB
45.9
1
7236
138
ASP
CB
45.902
1
15248
32
ASP
CB
45.915
1
6705
60
ASP
CB
45.931
.
4109
29
ASP
CB
45.948
1
6375
39
ASP
CB
45.966
1
5315
50
ASP
CB
45.975
1
15094
100
ASP
CB
45.98
1
5159
86
ASP
CB
46
1
5799
167
ASP
CB
46
1
6974
10
ASP
CB
46.072
.
6695
230
ASP
CB
46.12
1
4342
36
ASP
CB
46.2
1
5218
73
ASP
CB
46.2
1
15611
65
ASP
CB
46.228
1
7264
170
ASP
CB
46.265
1
5570
65
ASP
CB
46.3
1
4206
49
ASP
CB
46.3
1
4848
48
ASP
CB
46.3
.
7265
170
ASP
CB
46.352
1
6356
92
ASP
CB
46.372
.
5844
35
ASP
CB
46.385
1
5355
90
ASP
CB
46.408
1
5946
106
ASP
CB
46.41
1
6923
117
ASP
CB
46.42
1
15553
39
ASP
CB
46.44
1
7269
91
ASP
CB
46.44
1
7009
38
ASP
CB
46.464
.
7355
9
ASP
CB
46.479
1
7055
96
ASP
CB
46.508
1
4664
89
ASP
CB
46.51
1
6140
234
ASP
CB
46.53
1
6761
51
ASP
CB
46.551
1
7175
48
ASP
CB
46.6
1
6982
104
ASP
CB
46.608
1
7070
35
ASP
CB
46.625
1
10078
40
ASP
CB
46.632
1
6075
65
ASP
CB
46.72
1
6563
65
ASP
CB
46.755
1
7357
9
ASP
CB
46.796
1
15082
9
ASP
CB
46.803
1
7356
9
ASP
CB
46.845
1
6371
133
ASP
CB
46.9
1
15088
88
ASP
CB
46.981
1
4936
124
ASP
CB
47
1
5185
53
ASP
CB
47.18
1
6226
18
ASP
CB
47.2
1
5844
29
ASP
CB
47.234
1
7313
22
ASP
CB
47.3
1
5679
63
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
6542
262
ASP
CB
47.53
1
5772
114
ASP
CB
47.675
1
6004
98
ASP
CB
47.7
1
6318
105
ASP
CB
47.7
1
15162
9
ASP
CB
47.89
1
5177
98
ASP
CB
47.9
1
5772
31
ASP
CB
48.64
1
5679
21
ASP
CB
48.8
1
6762
35
ASP
CB
51.091
.
6762
35
ASP
CB
51.091
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6583
25
ASP
CB
28
1
4284
122
ASP
CB
29.505
1
7130
145
ASP
CB
29.56
1
5175
17
ASP
CB
30.16
1
6725
87
ASP
CB
30.27
1
7192
27
ASP
CB
30.3
1
6254
72
ASP
CB
30.802
1
6404
46
ASP
CB
31
1
7181
75
ASP
CB
31.1
1
4431
90
ASP
CB
31.4
1
6586
27
ASP
CB
32.24
1
4267
48
ASP
CB
32.4
1
6586
112
ASP
CB
32.453
1
5679
104
ASP
CB
32.5
1
4070
180
ASP
CB
32.6
1
6586
54
ASP
CB
32.736
1
5221
184
ASP
CB
32.869
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
27
ASP
CB
33.6
1
4431
36
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
6586
35
ASP
CB
34.011
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
5742
82
ASP
CB
34.718
.
5514
82
ASP
CB
34.72
1
6904
34
ASP
CB
34.73
1
5324
41
ASP
CB
34.862
1
7130
15
ASP
CB
34.89
1
5324
113
ASP
CB
34.972
1
5547
9
ASP
CB
35
1
5547
128
ASP
CB
35
1
5892
18
ASP
CB
35.054
1
6586
87
ASP
CB
35.073
1
4821
101
ASP
CB
35.096
1
6034
74
ASP
CB
35.2
1
4288
57
ASP
CB
35.3
1
5324
103
ASP
CB
35.48
1
6136
257
ASP
CB
35.5
1
5324
77
ASP
CB
35.626
1
6699
54
ASP
CB
35.674
1
5324
123
ASP
CB
35.681
1
6911
42
ASP
CB
35.75
1