ASP CB Chemical Shift Outliers

___________________________________________________
ASP CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
40658
40.870
26.5008
58.51
1.606


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16598
138
ASP
CB
45.69
1
25752
89
ASP
CB
45.69
1
6812
88
ASP
CB
45.69
1
25831
41
ASP
CB
45.693
1
25038
58
ASP
CB
45.696
.
17249
16
ASP
CB
45.7
1
16881
111
ASP
CB
45.7
1
27617
138
ASP
CB
45.7
1
17249
34
ASP
CB
45.7
1
5774
90
ASP
CB
45.7
1
6140
71
ASP
CB
45.7
1
17665
12
ASP
CB
45.7
1
19172
77
ASP
CB
45.70103
1
26981
122
ASP
CB
45.706
1
18419
38
ASP
CB
45.708
1
19173
77
ASP
CB
45.71304
1
17838
6
ASP
CB
45.72
1
27392
336
ASP
CB
45.727
1
4356
30
ASP
CB
45.73
1
34281
8
ASP
CB
45.73
1
15800
123
ASP
CB
45.74
1
15012
82
ASP
CB
45.744
1
6357
138
ASP
CB
45.745
1
6812
72
ASP
CB
45.75
1
16009
120
ASP
CB
45.751
1
10334
31
ASP
CB
45.752
1
7376
83
ASP
CB
45.759
1
19156
102
ASP
CB
45.765
1
18632
92
ASP
CB
45.771
1
18632
92
ASP
CB
45.771
1
6339
28
ASP
CB
45.773
1
5557
25
ASP
CB
45.773
1
19343
70
ASP
CB
45.779
1
4782
107
ASP
CB
45.78
1
17842
80
ASP
CB
45.787
1
26984
122
ASP
CB
45.791
1
16329
20
ASP
CB
45.792
1
27043
254
ASP
CB
45.793
1
25305
15
ASP
CB
45.8
1
6226
64
ASP
CB
45.8
1
26531
112
ASP
CB
45.809
1
25809
39
ASP
CB
45.81
.
27546
110
ASP
CB
45.8154
1
19200
32
ASP
CB
45.816
1
19343
14
ASP
CB
45.821
1
26660
62
ASP
CB
45.825
1
26586
138
ASP
CB
45.8272
1
5347
21
ASP
CB
45.829
1
27022
293
ASP
CB
45.834
1
25761
97
ASP
CB
45.837
.
6086
77
ASP
CB
45.841
1
25984
52
ASP
CB
45.841
.
25983
52
ASP
CB
45.841
.
10042
30
ASP
CB
45.843
1
27659
124
ASP
CB
45.8485
1
16711
93
ASP
CB
45.85
1
6416
176
ASP
CB
45.85
.
19931
140
ASP
CB
45.858
1
27234
150
ASP
CB
45.86
1
34235
47
ASP
CB
45.866
1
25467
125
ASP
CB
45.87
1
11366
60
ASP
CB
45.877
1
17909
118
ASP
CB
45.878
1
6433
69
ASP
CB
45.88
1
15471
61
ASP
CB
45.882
1
17244
33
ASP
CB
45.886
1
6973
10
ASP
CB
45.89
.
17208
201
ASP
CB
45.891
1
4109
29
ASP
CB
45.899
1
6224
93
ASP
CB
45.9
1
6226
102
ASP
CB
45.9
1
15743
65
ASP
CB
45.9
1
17249
52
ASP
CB
45.9
1
34334
30
ASP
CB
45.9
1
7236
138
ASP
CB
45.902
1
10214
23
ASP
CB
45.902
1
15248
32
ASP
CB
45.915
1
10070
59
ASP
CB
45.916
1
25240
38
ASP
CB
45.918
1
16746
54
ASP
CB
45.923
1
6705
60
ASP
CB
45.931
.
16146
5
ASP
CB
45.938
1
26659
62
ASP
CB
45.946
1
30000
86
ASP
CB
45.946
1
4109
29
ASP
CB
45.948
1
6375
39
ASP
CB
45.966
1
16097
137
ASP
CB
45.972
1
5315
50
ASP
CB
45.975
1
17210
201
ASP
CB
45.976
1
15094
100
ASP
CB
45.98
1
27542
130
ASP
CB
45.98
1
19082
20
ASP
CB
45.9802
1
17021
129
ASP
CB
45.983
1
10060
66
ASP
CB
45.985
1
16687
61
ASP
CB
45.99
1
11467
209
ASP
CB
45.99
1
15490
138
ASP
CB
45.99
1
18591
61
ASP
CB
45.99
1
18665
79
ASP
CB
45.995
1
27691
242
ASP
CB
45.999
1
17998
48
ASP
CB
46
1
5799
167
ASP
CB
46
1
16682
89
ASP
CB
46
1
27326
49
ASP
CB
46.011
.
27545
112
ASP
CB
46.0198
1
27459
83
ASP
CB
46.031
1
19490
148
ASP
CB
46.032
1
6923
117
ASP
CB
46.036
1
27392
201
ASP
CB
46.043
1
26661
62
ASP
CB
46.059
1
18533
56
ASP
CB
46.06
1
6974
10
ASP
CB
46.072
.
16194
56
ASP
CB
46.081
1
26661
16
ASP
CB
46.083
1
15924
93
ASP
CB
46.086
1
27437
38
ASP
CB
46.09
1
15706
32
ASP
CB
46.094
1
26661
16
ASP
CB
46.097
1
17431
43
ASP
CB
46.1
1
15816
98
ASP
CB
46.1
1
27325
49
ASP
CB
46.111
.
16330
20
ASP
CB
46.112
1
25334
152
ASP
CB
46.133
1
27545
130
ASP
CB
46.1382
1
26893
71
ASP
CB
46.142
1
11087
13
ASP
CB
46.147
1
17165
39
ASP
CB
46.148
1
27195
78
ASP
CB
46.1522
.
16893
70
ASP
CB
46.16
1
16900
70
ASP
CB
46.16
1
15711
101
ASP
CB
46.177
1
11563
38
ASP
CB
46.18
1
4342
36
ASP
CB
46.2
1
25383
109
ASP
CB
46.2
1
5218
73
ASP
CB
46.2
1
11522
96
ASP
CB
46.209
1
18613
161
ASP
CB
46.212
1
27546
128
ASP
CB
46.2179
1
34201
61
ASP
CB
46.222
1
16902
260
ASP
CB
46.225
1
15611
65
ASP
CB
46.228
1
18598
58
ASP
CB
46.23
1
19667
19
ASP
CB
46.23
1
27613
107
ASP
CB
46.247
.
26660
16
ASP
CB
46.266
1
26531
131
ASP
CB
46.271
1
19099
39
ASP
CB
46.277
1
15607
234
ASP
CB
46.292
1
15712
101
ASP
CB
46.297
1
4848
48
ASP
CB
46.3
.
5570
65
ASP
CB
46.3
1
4206
49
ASP
CB
46.3
1
25863
51
ASP
CB
46.32
1
18353
72
ASP
CB
46.334
1
6356
92
ASP
CB
46.372
.
25512
19
ASP
CB
46.378
1
25413
100
ASP
CB
46.4
.
26947
58
ASP
CB
46.407
1
5355
90
ASP
CB
46.408
1
5946
106
ASP
CB
46.41
1
26648
178
ASP
CB
46.41
1
17208
336
ASP
CB
46.416
1
15810
56
ASP
CB
46.425
1
19921
20
ASP
CB
46.43
1
15553
39
ASP
CB
46.44
1
7009
38
ASP
CB
46.464
.
7355
9
ASP
CB
46.479
1
17074
66
ASP
CB
46.5
1
27544
130
ASP
CB
46.5042
1
7055
96
ASP
CB
46.508
1
17210
336
ASP
CB
46.509
1
4664
89
ASP
CB
46.51
1
15684
109
ASP
CB
46.516
.
6140
234
ASP
CB
46.53
1
6761
51
ASP
CB
46.551
1
25243
63
ASP
CB
46.568
.
15694
116
ASP
CB
46.568
1
26025
78
ASP
CB
46.578
1
27014
51
ASP
CB
46.59
1
26570
101
ASP
CB
46.591
1
18123
106
ASP
CB
46.597
1
19449
39
ASP
CB
46.6
.
7175
48
ASP
CB
46.6
1
15687
82
ASP
CB
46.6
1
17577
89
ASP
CB
46.6
1
15851
31
ASP
CB
46.607
1
6982
104
ASP
CB
46.608
1
15028
65
ASP
CB
46.625
1
7070
35
ASP
CB
46.625
1
16147
96
ASP
CB
46.63
1
10078
40
ASP
CB
46.632
1
18002
15
ASP
CB
46.639
1
6075
65
ASP
CB
46.72
1
18039
116
ASP
CB
46.741
1
18196
91
ASP
CB
46.744
1
6563
65
ASP
CB
46.755
1
16561
37
ASP
CB
46.788
1
27015
51
ASP
CB
46.791
1
7357
9
ASP
CB
46.796
1
18303
85
ASP
CB
46.8
1
16806
58
ASP
CB
46.8
1
15082
9
ASP
CB
46.803
1
7356
9
ASP
CB
46.845
1
30501
38
ASP
CB
46.874
.
18297
82
ASP
CB
46.891
1
6371
133
ASP
CB
46.9
1
16623
17
ASP
CB
46.968
.
15088
88
ASP
CB
46.981
1
18993
72
ASP
CB
46.995
1
4936
124
ASP
CB
47
1
25546
57
ASP
CB
47.082
1
27724
58
ASP
CB
47.098
1
16384
52
ASP
CB
47.1
1
18876
78
ASP
CB
47.111
1
25288
20
ASP
CB
47.153
1
19711
131
ASP
CB
47.172
1
5185
53
ASP
CB
47.18
1
6226
18
ASP
CB
47.2
1
16144
117
ASP
CB
47.2
1
36027
39
ASP
CB
47.202
1
19156
46
ASP
CB
47.21
1
19208
262
ASP
CB
47.231
1
7313
22
ASP
CB
47.3
1
5679
63
ASP
CB
47.3
1
6936
34
ASP
CB
47.334
1
25512
36
ASP
CB
47.37
1
5218
214
ASP
CB
47.4
1
5772
73
ASP
CB
47.433
1
16732
40
ASP
CB
47.44
1
19225
90
ASP
CB
47.442
1
18797
124
ASP
CB
47.49
1
18796
124
ASP
CB
47.5
1
6542
262
ASP
CB
47.53
1
19783
91
ASP
CB
47.558
1
17175
42
ASP
CB
47.6
1
25281
132
ASP
CB
47.62
.
5772
114
ASP
CB
47.675
1
27564
81
ASP
CB
47.677
1
6318
105
ASP
CB
47.7
1
6004
98
ASP
CB
47.7
1
19048
81
ASP
CB
47.722
1
10215
23
ASP
CB
47.804
1
16648
23
ASP
CB
47.85
1
26932
71
ASP
CB
47.86
1
10108
70
ASP
CB
47.877
1
34178
22
ASP
CB
47.885
1
15162
9
ASP
CB
47.89
1
5177
98
ASP
CB
47.9
1
15669
60
ASP
CB
47.92
1
25728
122
ASP
CB
47.92
.
27691
76
ASP
CB
47.951
1
19047
81
ASP
CB
47.963
1
15743
79
ASP
CB
48.1
1
18001
50
ASP
CB
48.4
1
18469
40
ASP
CB
48.444
1
25728
41
ASP
CB
48.464
.
15743
40
ASP
CB
48.5
1
5772
31
ASP
CB
48.64
1
18496
40
ASP
CB
48.656
1
5679
21
ASP
CB
48.8
1
6762
35
ASP
CB
51.091
.
6762
35
ASP
CB
51.091
.
18697
62
ASP
CB
54.893
1
18696
62
ASP
CB
54.947
1
5663
52
ASP
CB
58.51
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25573
8
ASP
CB
26.5008
1
16050
24
ASP
CB
27.48
1
17940
177
ASP
CB
27.912
1
6583
25
ASP
CB
28
1
19063
23
ASP
CB
28.448
.
16501
127
ASP
CB
28.736
1
17940
176
ASP
CB
29.5
1
4284
122
ASP
CB
29.505
1
7130
145
ASP
CB
29.56
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
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
.
27122
196
ASP
CB
30.528
.
17948
48
ASP
CB
30.7
1
27314
117
ASP
CB
30.7239
1
6254
72
ASP
CB
30.802
1
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
19063
32
ASP
CB
31.213
.
25701
125
ASP
CB
31.39
1
16984
44
ASP
CB
31.397
1
6586
27
ASP
CB
32.24
1
19063
51
ASP
CB
32.318
.
27043
124
ASP
CB
32.395
1
19443
138
ASP
CB
32.412
.
6586
112
ASP
CB
32.453
1
25239
178
ASP
CB
32.475
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
25754
9
ASP
CB
32.778
1
36001
89
ASP
CB
32.839
.
5221
184
ASP
CB
32.869
1
27411
84
ASP
CB
32.9
1
30021
150
ASP
CB
32.94
1
6586
28
ASP
CB
33.019
1
7356
59
ASP
CB
33.052
1
25693
64
ASP
CB
33.377
1
6322
40
ASP
CB
33.449
1
19063
45
ASP
CB
33.493
.
6080
82
ASP
CB
33.669
1
15407
57
ASP
CB
33.692
1
5940
7
ASP
CB
33.757
1
25281
18
ASP
CB
33.78
.
18246
149
ASP
CB
33.98
1
6586
35
ASP
CB
34.011
1
11425
23
ASP
CB
34.153
1
19321
110
ASP
CB
34.181
1
6586
103
ASP
CB
34.223
1
25973
39
ASP
CB
34.299
.
1642
40
ASP
CB
34.45
1
11199
26
ASP
CB
34.469
1
26792
60
ASP
CB
34.5
1
18292
26
ASP
CB
34.503
1
16902
130
ASP
CB
34.572
1
16884
27
ASP
CB
34.6
1
19125
49
ASP
CB
34.6
1
19125
71
ASP
CB
34.6
1
25973
58
ASP
CB
34.66
.
16884
25
ASP
CB
34.7
1
5514
82
ASP
CB
34.72
1
6904
34
ASP
CB
34.73
1
27564
90
ASP
CB
34.779
1
27859
243
ASP
CB
34.8
.
5324
41
ASP
CB
34.862
1
7130
15
ASP
CB
34.89
1
16747
22
ASP
CB
34.891
1
15680
195
ASP
CB
34.953
1
19047
90
ASP
CB
34.965
1
5324
113
ASP
CB
34.972
1
27062
30
ASP
CB
34.987
1
5547
9
ASP
CB
35
1
5547
128
ASP
CB
35
1
18373
197
ASP
CB
35.043
1
5892
18
ASP
CB
35.054
1
26619
93
ASP
CB
35.062
.
6586
87
ASP
CB
35.073
1
25269
22
ASP
CB
35.083
1
19321
119
ASP
CB
35.086
1
27212
23
ASP
CB
35.092
.
4821
101
ASP
CB
35.096
1
26851
190
ASP
CB
35.139
1
25973
32
ASP
CB
35.153
.
19586
93
ASP
CB
35.183
1
6034
74
ASP
CB
35.2
1
16180
60
ASP
CB
35.22
1
16671
60
ASP
CB
35.22
1
16179
60
ASP
CB
35.22
1
26848
190
ASP
CB
35.258
1
26793
49
ASP
CB
35.3
1
4288
57
ASP
CB
35.3
1
16884
61
ASP
CB
35.3
1
26851
162
ASP
CB
35.316
1
17974
116
ASP
CB
35.328
1
16205
203
ASP
CB
35.37
1
26848
162
ASP
CB
35.374
1
15279
94
ASP
CB
35.384
1
16984
174
ASP
CB
35.421
1
18428
84
ASP
CB
35.436
1
17974
79
ASP
CB
35.446
1
5324
103
ASP
CB
35.48
1
27562
36
ASP
CB
35.486
.
30375
139
ASP
CB
35.49
.
6136
257
ASP
CB
35.5
1
17782
46
ASP
CB
35.511
1
16984
113
ASP
CB
35.515
1
17692
37
ASP
CB
35.523
1
17738
104
ASP
CB
35.53
1
27279
153
ASP
CB
35.543
1
26601
153
ASP
CB
35.543
1
16984
227
ASP
CB
35.574
1
25830
10
ASP
CB
35.579
1
27859
75
ASP
CB
35.6
.
16884
93
ASP
CB
35.6
1
25754
23
ASP
CB
35.609
1
16747
17
ASP
CB
35.614
1
5324
77
ASP
CB
35.626
1
16204
203
ASP
CB
35.642
1
17781
48
ASP
CB
35.649
1
17692
12
ASP
CB
35.669
1
6699
54
ASP
CB
35.674
1
5324
123
ASP
CB
35.681
1
27859
139
ASP
CB
35.7
.
18459
78
ASP
CB
35.747
1
6911
42
ASP
CB
35.75
1
19776
23
ASP
CB
35.751
.
34313
8
ASP
CB
35.753
1
18405
9
ASP
CB
35.754
1
34041
17
ASP
CB
35.756
1
7418
20
ASP
CB
35.764
1
26851
143
ASP
CB
35.773
1
30341
8
ASP
CB
35.775
1
18373
27
ASP
CB
35.779
1
25852
93
ASP
CB
35.788
1
26851
157
ASP
CB
35.791
1
19777
23
ASP
CB
35.792
.
16948
37
ASP
CB
35.8
1
27859
110
ASP
CB
35.8
.
26848
143
ASP
CB
35.809
1
18373
14
ASP
CB
35.81
1
18449
13
ASP
CB
35.813
1
25783
24
ASP
CB
35.814
1
25701
178
ASP
CB
35.82
1
16181
60
ASP
CB
35.84
1
30515
39
ASP
CB
35.863
1
36185
75
ASP
CB
35.865
.
17692
3
ASP
CB
35.875
1
16164
15
ASP
CB
35.875
1
5324
43
ASP
CB
35.881
1
16948
52
ASP
CB
35.882
1
26848
157
ASP
CB
35.892
1
18965
25
ASP
CB
35.895
1
34058
17
ASP
CB
35.897
1
17540
32
ASP
CB
35.897
1
25833
83
ASP
CB
35.924
1
6531
64
ASP
CB
35.937
.
25598
25
ASP
CB
35.945
.
17692
23
ASP
CB
35.953
1
16693
34
ASP
CB
35.96
1
17692
47
ASP
CB
35.963
1
16948
30
ASP
CB
35.963
1
19321
53
ASP
CB
35.966
1
18112
138
ASP
CB
36.008
1
30070
41
ASP
CB
36.013
1
16948
64
ASP
CB
36.044
1
17692
20
ASP
CB
36.044
1