ASP HB2 Chemical Shift Outliers

___________________________________________________
ASP HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
30654
2.711
-.39
4.6
0.261


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16794
32
ASP
HB2
3.496
2
10129
45
ASP
HB2
3.498
2
34248
123
ASP
HB2
3.498
2
17938
51
ASP
HB2
3.5
.
17033
80
ASP
HB2
3.5
2
15377
30
ASP
HB2
3.502
.
27031
48
ASP
HB2
3.502
2
7261
43
ASP
HB2
3.503
2
15092
86
ASP
HB2
3.503
2
6277
29
ASP
HB2
3.504
2
17689
18
ASP
HB2
3.504
2
11299
31
ASP
HB2
3.505
2
25832
77
ASP
HB2
3.506
2
18487
82
ASP
HB2
3.509
2
5544
70
ASP
HB2
3.51
.
4819
9
ASP
HB2
3.51
1
5595
75
ASP
HB2
3.51
2
4977
41
ASP
HB2
3.51
1
4083
37
ASP
HB2
3.51
2
25789
3
ASP
HB2
3.511
2
19487
26
ASP
HB2
3.511
2
18411
122
ASP
HB2
3.511
2
30222
40
ASP
HB2
3.515
2
30223
40
ASP
HB2
3.515
2
18179
121
ASP
HB2
3.515
1
30171
20
ASP
HB2
3.519
2
6826
27
ASP
HB2
3.519
2
5297
106
ASP
HB2
3.52
2
25499
37
ASP
HB2
3.523
2
6288
63
ASP
HB2
3.526
.
6254
69
ASP
HB2
3.527
2
17745
154
ASP
HB2
3.53
2
19709
89
ASP
HB2
3.532
1
20105
9
ASP
HB2
3.533
2
16473
46
ASP
HB2
3.54
2
17192
47
ASP
HB2
3.541
2
5247
76
ASP
HB2
3.543
2
18046
27
ASP
HB2
3.55
2
4001
70
ASP
HB2
3.55
2
11018
45
ASP
HB2
3.55
2
5009
33
ASP
HB2
3.56
.
5342
31
ASP
HB2
3.56
1
6875
67
ASP
HB2
3.56
1
16494
60
ASP
HB2
3.56
2
19627
70
ASP
HB2
3.563
2
15537
22
ASP
HB2
3.564
2
11299
26
ASP
HB2
3.566
2
19798
95
ASP
HB2
3.569
2
15232
83
ASP
HB2
3.57
1
4099
69
ASP
HB2
3.57
2
16493
60
ASP
HB2
3.57
2
10238
148
ASP
HB2
3.57
2
17747
59
ASP
HB2
3.573
2
18292
49
ASP
HB2
3.573
2
18169
71
ASP
HB2
3.575
2
6613
55
ASP
HB2
3.576
2
10106
55
ASP
HB2
3.577
2
16811
99
ASP
HB2
3.577
2
11329
30
ASP
HB2
3.58
2
15097
27
ASP
HB2
3.58
2
16686
14
ASP
HB2
3.585
2
18647
216
ASP
HB2
3.587
2
26776
71
ASP
HB2
3.588
2
6759
34
ASP
HB2
3.59
.
11471
37
ASP
HB2
3.59
.
17091
31
ASP
HB2
3.59
2
5998
56
ASP
HB2
3.59
2
27732
38
ASP
HB2
3.591
1
5127
76
ASP
HB2
3.594
2
6976
30
ASP
HB2
3.595
2
15607
169
ASP
HB2
3.598
1
5391
53
ASP
HB2
3.6
.
17838
40
ASP
HB2
3.6
2
36177
14
ASP
HB2
3.6
.
18850
11
ASP
HB2
3.606
1
6826
32
ASP
HB2
3.61
2
5232
51
ASP
HB2
3.61
2
17320
53
ASP
HB2
3.61
2
5232
112
ASP
HB2
3.61
2
4077
37
ASP
HB2
3.61
2
16561
69
ASP
HB2
3.611
2
19047
215
ASP
HB2
3.616
1
4376
70
ASP
HB2
3.62
1
5206
70
ASP
HB2
3.62
1
6125
152
ASP
HB2
3.62
2
17277
15
ASP
HB2
3.62
2
4472
38
ASP
HB2
3.62
2
19047
215
ASP
HB2
3.62
1
11531
52
ASP
HB2
3.621
.
10236
102
ASP
HB2
3.627
2
10237
102
ASP
HB2
3.628
2
25499
56
ASP
HB2
3.636
2
19048
215
ASP
HB2
3.638
1
27737
38
ASP
HB2
3.64
1
5565
17
ASP
HB2
3.64
2
19048
215
ASP
HB2
3.64
1
6603
118
ASP
HB2
3.64
2
5482
25
ASP
HB2
3.65
2
15851
33
ASP
HB2
3.651
2
11299
16
ASP
HB2
3.652
2
15037
20
ASP
HB2
3.654
2
18119
48
ASP
HB2
3.661
2
30201
86
ASP
HB2
3.671
2
17927
17
ASP
HB2
3.672
2
16065
52
ASP
HB2
3.675
2
11299
23
ASP
HB2
3.682
2
19746
53
ASP
HB2
3.684
.
18478
61
ASP
HB2
3.687
2
4892
71
ASP
HB2
3.69
.
4819
45
ASP
HB2
3.69
1
15893
167
ASP
HB2
3.692
2
15079
34
ASP
HB2
3.697
2
5961
32
ASP
HB2
3.7
2
15036
23
ASP
HB2
3.702
2
6378
41
ASP
HB2
3.71
2
6746
7
ASP
HB2
3.711
2
25124
54
ASP
HB2
3.712
2
4463
42
ASP
HB2
3.72
2
4083
63
ASP
HB2
3.72
2
26777
45
ASP
HB2
3.726
2
26769
45
ASP
HB2
3.728
2
27146
64
ASP
HB2
3.729
2
15688
43
ASP
HB2
3.729
2
15039
43
ASP
HB2
3.729
1
4938
43
ASP
HB2
3.73
2
18215
119
ASP
HB2
3.745
2
6826
11
ASP
HB2
3.748
2
5303
54
ASP
HB2
3.751
2
10123
61
ASP
HB2
3.755
2
4472
57
ASP
HB2
3.76
2
4589
3
ASP
HB2
3.76
.
18394
22
ASP
HB2
3.77
2
25166
56
ASP
HB2
3.774
2
1875
77
ASP
HB2
3.78
1
30033
20
ASP
HB2
3.783
.
30089
16
ASP
HB2
3.797
.
4101
175
ASP
HB2
3.8
2
17288
95
ASP
HB2
3.803
2
17799
24
ASP
HB2
3.806
2
4472
64
ASP
HB2
3.82
2
19154
8
ASP
HB2
3.83
2
495
77
ASP
HB2
3.83
1
4487
45
ASP
HB2
3.84
2
11299
41
ASP
HB2
3.842
2
6152
73
ASP
HB2
3.846
.
27565
86
ASP
HB2
3.854
.
4838
30
ASP
HB2
3.87
1
15232
77
ASP
HB2
3.875
1
10097
80
ASP
HB2
3.876
2
6334
49
ASP
HB2
3.911
1
4376
27
ASP
HB2
3.96
1
4335
28
ASP
HB2
3.97
2
4834
134
ASP
HB2
3.98
2
15385
75
ASP
HB2
4.028
2
11298
26
ASP
HB2
4.073
2
6903
76
ASP
HB2
4.12
1
11531
60
ASP
HB2
4.159
.
16350
6
ASP
HB2
4.174
1
18905
111
ASP
HB2
4.202
.
6604
65
ASP
HB2
4.335
2
4782
2
ASP
HB2
4.47
2
4890
2
ASP
HB2
4.58
1
19497
27
ASP
HB2
4.6
2


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
10028
32
ASP
HB2
-.023
2
6008
72
ASP
HB2
-.39
2
16572
21
ASP
HB2
.366
2
10068
132
ASP
HB2
.521
2
30317
27
ASP
HB2
.572
.
6901
69
ASP
HB2
.578
2
5224
19
ASP
HB2
.65
2
16365
131
ASP
HB2
.73
2
25927
12
ASP
HB2
.796
1
15407
57
ASP
HB2
.848
2
5156
33
ASP
HB2
.85
2
18098
71
ASP
HB2
.857
2
25831
28
ASP
HB2
.87
2
6120
52
ASP
HB2
.88
2
6895
45
ASP
HB2
.923
2
18574
43
ASP
HB2
.956
2
18575
43
ASP
HB2
.96
2
30376
26
ASP
HB2
1.022
.
5602
17
ASP
HB2
1.045
2
11348
142
ASP
HB2
1.062
2
7298
33
ASP
HB2
1.075
2
30377
26
ASP
HB2
1.078
.
25945
14
ASP
HB2
1.079
2
34068
26
ASP
HB2
1.083
.
15100
66
ASP
HB2
1.09
2
6199
163
ASP
HB2
1.1
2
6869
24
ASP
HB2
1.12
1
34057
44
ASP
HB2
1.123
.
15295
85
ASP
HB2
1.137
2
34226
94
ASP
HB2
1.149
1
15338
36
ASP
HB2
1.15
2
19109
62
ASP
HB2
1.164
2
15350
60
ASP
HB2
1.18
2
25421
27
ASP
HB2
1.191
2
16179
60
ASP
HB2
1.2
2
15279
94
ASP
HB2
1.2
2
16671
60
ASP
HB2
1.2
2
5820
98
ASP
HB2
1.2
.
18188
66
ASP
HB2
1.202
2
19238
93
ASP
HB2
1.209
2
30062
93
ASP
HB2
1.209
2
16181
60
ASP
HB2
1.21
2
16180
60
ASP
HB2
1.21
2
15028
76
ASP
HB2
1.217
2
19165
20
ASP
HB2
1.2192
2
19087
65
ASP
HB2
1.2214
2
25175
21
ASP
HB2
1.23
2
16840
99
ASP
HB2
1.239
2
16643
57
ASP
HB2
1.25
2
4270
93
ASP
HB2
1.25
2
30011
28
ASP
HB2
1.264
2
11022
41
ASP
HB2
1.27
1
10189
17
ASP
HB2
1.273
2
19397
16
ASP
HB2
1.278
.
36045
20
ASP
HB2
1.286
.
25398
35
ASP
HB2
1.294
2
4930
36
ASP
HB2
1.3
1
4933
36
ASP
HB2
1.3
1
4918
113
ASP
HB2
1.32
2
11040
37
ASP
HB2
1.323
2
36086
57
ASP
HB2
1.33
.
2384
87
ASP
HB2
1.33
2
10108
51
ASP
HB2
1.334
2
5077
63
ASP
HB2
1.34
2
4310
93
ASP
HB2
1.34
2
19604
93
ASP
HB2
1.341
1
15487
65
ASP
HB2
1.341
.
19050
18
ASP
HB2
1.343
2
19238
20
ASP
HB2
1.349
2
30062
20
ASP
HB2
1.349
2
5627
100
ASP
HB2
1.35
2
6541
93
ASP
HB2
1.356
1
16675
153
ASP
HB2
1.368
2
4045
78
ASP
HB2
1.37
2
15816
87
ASP
HB2
1.38
2
17353
93
ASP
HB2
1.402
2
16084
58
ASP
HB2
1.41
2
27017
20
ASP
HB2
1.411
2
18557
46
ASP
HB2
1.416
1
18398
57
ASP
HB2
1.417
2
4159
9
ASP
HB2
1.421
1
17850
21
ASP
HB2
1.423
2
5347
21
ASP
HB2
1.429
1
15320
54
ASP
HB2
1.43
2
25437
34
ASP
HB2
1.439
.
5738
30
ASP
HB2
1.439
2
27017
93
ASP
HB2
1.448
2
5294
31
ASP
HB2
1.46
2
27643
34
ASP
HB2
1.464
.
4211
2
ASP
HB2
1.47
1
17849
20
ASP
HB2
1.473
2
6541
20
ASP
HB2
1.477
1
6103
33
ASP
HB2
1.478
2
19109
71
ASP
HB2
1.482
2
6104
20
ASP
HB2
1.487
2
19604
20
ASP
HB2
1.495
1
27353
81
ASP
HB2
1.5
1
6134
72
ASP
HB2
1.5
1
18292
26
ASP
HB2
1.507
2
18530
16
ASP
HB2
1.507
2
4310
20
ASP
HB2
1.51
2
11392
17
ASP
HB2
1.511
2
18415
66
ASP
HB2
1.514
2
18112
138
ASP
HB2
1.515
2
30070
42
ASP
HB2
1.526
2
18302
20
ASP
HB2
1.531
1
16994
39
ASP
HB2
1.55
2
11095
27
ASP
HB2
1.552
1
26022
82
ASP
HB2
1.554
.
11487
40
ASP
HB2
1.57
2
16002
70
ASP
HB2
1.57
.
6716
125
ASP
HB2
1.578314
.
4318
64
ASP
HB2
1.58
2
4140
61
ASP
HB2
1.58
2
326
55
ASP
HB2
1.58
2
4491
61
ASP
HB2
1.58
2
4902
46
ASP
HB2
1.58
1
16679
185
ASP
HB2
1.59
2
247
55
ASP
HB2
1.59
2
5073
53
ASP
HB2
1.595
.
27608
46
ASP
HB2
1.595
.
19688
39
ASP
HB2
1.599
1
15427
105
ASP
HB2
1.6
2
5821
95
ASP
HB2
1.6
2
5823
95
ASP
HB2
1.6
2
18011
180
ASP
HB2
1.607
2
325
55
ASP
HB2
1.61
2
7256
36
ASP
HB2
1.61
2
4270
20
ASP
HB2
1.61
2
6918
40
ASP
HB2
1.61
1
6820
40
ASP
HB2
1.615
1
4798
109
ASP
HB2
1.63
2
6519
17
ASP
HB2
1.633
2
16946
111
ASP
HB2
1.637
1
10136
28
ASP
HB2
1.638
2
392
24
ASP
HB2
1.64
1
17850
94
ASP
HB2
1.641
2
19487
54
ASP
HB2
1.645
2
19048
90
ASP
HB2
1.649
1
6181
57
ASP
HB2
1.65
1
18249
132
ASP
HB2
1.656
2
6161
65
ASP
HB2
1.66
2
10080
90
ASP
HB2
1.66
2
11094
27
ASP
HB2
1.66
2
6932
126
ASP
HB2
1.66
2
4378
109
ASP
HB2
1.66
2
17479
223
ASP
HB2
1.662
1
16428
69
ASP
HB2
1.671
2
19048
90
ASP
HB2
1.674
1
16772
89
ASP
HB2
1.677
2
17030
76
ASP
HB2
1.678
2
6333
120
ASP
HB2
1.68
2
27062
30
ASP
HB2
1.681
1
30009
28
ASP
HB2
1.686
2
25239
178
ASP
HB2
1.686
1
18620
86
ASP
HB2
1.686
2
26011
107
ASP
HB2
1.688
2
15197
149
ASP
HB2
1.69
2
6366
110
ASP
HB2
1.69
1
17289
85
ASP
HB2
1.693
2
15279
103
ASP
HB2
1.693
2
34200
25
ASP
HB2
1.694
1
5049
104
ASP
HB2
1.7
2
18577
35
ASP
HB2
1.7
2
16181
69
ASP
HB2
1.7
2
15851
44
ASP
HB2
1.7
2
26010
24
ASP
HB2
1.704
.
18473
104
ASP
HB2
1.709
2
19987
32
ASP
HB2
1.71
2
7210
27
ASP
HB2
1.711
2
16147
103
ASP
HB2
1.72
1
16179
69
ASP
HB2
1.72
2
16671
69
ASP
HB2
1.72
2
5807
16
ASP
HB2
1.72
2
12024
7
ASP
HB2
1.722
2
10108
70
ASP
HB2
1.725
2
6705
52
ASP
HB2
1.725
.
18587
32
ASP
HB2
1.728
2
15197
39
ASP
HB2
1.73
2
16180
69
ASP
HB2
1.73
2
15623
39
ASP
HB2
1.73
2
11010
63
ASP
HB2
1.731668
1
18053
30
ASP
HB2
1.732
2
18621
91
ASP
HB2
1.734
2
15810
71
ASP
HB2
1.734
2
15058
14
ASP
HB2
1.737
1
4798
73
ASP
HB2
1.74
2
27165
114
ASP
HB2
1.74
2
4879
102
ASP
HB2
1.74
1
6972
77
ASP
HB2
1.74
2
25852
78
ASP
HB2
1.741
1
15789
59
ASP
HB2
1.744
2
11218
18
ASP
HB2
1.747
2
11443
25
ASP
HB2
1.749
2
4648
31
ASP
HB2
1.75
.
6022
45
ASP
HB2
1.75
1
16141
32
ASP
HB2
1.75
.
18677
46
ASP
HB2
1.75
.
25081
55
ASP
HB2
1.755
2
4092
130
ASP
HB2
1.76
2
27033
86
ASP
HB2
1.761
2
18621
19
ASP
HB2
1.769
2
10219
15
ASP
HB2
1.769
2
16147
35
ASP
HB2
1.77
1
30155
75
ASP
HB2
1.776
2
25244
75
ASP
HB2
1.776
2
15789
59
ASP
HB2
1.778
2
6613
51
ASP
HB2
1.779
2
16362
116
ASP
HB2
1.78
2
17369
55
ASP
HB2
1.781
2
19206
118
ASP
HB2
1.782
2
25716
17
ASP
HB2
1.783
.
34015
90
ASP
HB2
1.787
1
25411
91
ASP
HB2
1.787
1
25770
4
ASP
HB2
1.787
2
5156
33
ASP
HB2
1.79
2
5040
4
ASP
HB2
1.79
1
15770
94
ASP
HB2
1.79
2
27078
169
ASP
HB2
1.79
2
5205
21
ASP
HB2
1.792
.
16379
143
ASP
HB2
1.796
2
6517
23
ASP
HB2
1.8
2
6332
15
ASP
HB2
1.801
2
19392
54
ASP
HB2
1.803
.
17315
40
ASP
HB2
1.804
2
17532
112
ASP
HB2
1.805
2
16862
112
ASP
HB2
1.805
.
11169
17
ASP
HB2
1.807
2
17490
61
ASP
HB2
1.809
2
17633
41
ASP
HB2
1.81
2
30311
5
ASP
HB2
1.812
.
5323
56
ASP
HB2
1.817
2
18874
27
ASP
HB2
1.819
2
349
63
ASP
HB2
1.82
2
1918
3
ASP
HB2
1.82
2
1917
4
ASP
HB2
1.82
2
9
5
ASP
HB2
1.82
2
15770
94
ASP
HB2
1.82
2
6332
105
ASP
HB2
1.822
2
15012
73
ASP
HB2
1.824
2
18011
206
ASP
HB2
1.825
2
30397
87
ASP
HB2
1.827
1
27856
112
ASP
HB2
1.829
2
5027
55
ASP
HB2
1.83
2
6725
41
ASP
HB2
1.83
2
17491
61
ASP
HB2
1.831
2
26724
25
ASP
HB2
1.832
2
4798
47
ASP
HB2
1.84
2
4878
53
ASP
HB2
1.84
2
15798
107
ASP
HB2
1.842
2
5820
194
ASP
HB2
1.846
.
6536
36
ASP
HB2
1.847
2
10153
17
ASP
HB2
1.848
2
27442
4
ASP
HB2
1.848
.
30501
30
ASP
HB2
1.848
.
36176
4
ASP
HB2
1.848
.
30025
12
ASP
HB2
1.849
2
15197
116
ASP
HB2
1.85
2
6454
40
ASP
HB2
1.85
2
1663
75
ASP
HB2
1.85
2
11289
46
ASP
HB2
1.851
2
15281
31
ASP
HB2
1.854
2
25031
27
ASP
HB2
1.855
2
15242
67
ASP
HB2
1.856
.
15746
82
ASP
HB2
1.858
2
6829
18
ASP
HB2
1.86
2
30501
14
ASP
HB2
1.86
.
25516
11
ASP
HB2
1.862
.
19586
78
ASP
HB2
1.864
1
18189
10
ASP
HB2
1.865
2
15644
84
ASP
HB2
1.867
1
11405
41
ASP
HB2
1.868
2
26774
119
ASP
HB2
1.869
2
25984
60
ASP
HB2
1.871
.
36175
21
ASP
HB2
1.872
.
18571
12
ASP
HB2
1.873
2
17476
55
ASP
HB2
1.874
2
6376
58
ASP
HB2
1.876
2
17720
63
ASP
HB2
1.877
2
15762
8
ASP
HB2
1.88
2
25168
38
ASP
HB2
1.884
2
19429
65
ASP
HB2
1.884
.
15607
119
ASP
HB2
1.886
1
26687
122
ASP
HB2
1.887
2
5823
111
ASP
HB2
1.89
2
5821
111
ASP
HB2
1.89
2
17068
109
ASP
HB2
1.89
2
15510
37
ASP
HB2
1.89
2
27033
105
ASP
HB2
1.892
2
19195
22
ASP
HB2
1.895
2
10214
32
ASP
HB2
1.895
2
26687
50
ASP
HB2
1.897
2
15351
36
ASP
HB2
1.897
2
34189
13
ASP
HB2
1.898
.
11166
15
ASP
HB2
1.898
2
26765
94
ASP
HB2
1.899
2
30007
76
ASP
HB2
1.899
2
15510
37
ASP
HB2
1.9
2
11217
37
ASP
HB2
1.9
2
15510
37
ASP
HB2
1.9
2
6854
34
ASP
HB2
1.9
2
6447
76
ASP
HB2
1.9
2
5683
73
ASP
HB2
1.9
.
5755
83
ASP
HB2
1.901
1
30006
76
ASP
HB2
1.901
2
7204
123
ASP
HB2
1.901
2
18806
7
ASP
HB2
1.901
2
25984
69
ASP
HB2
1.901
.
30047
73
ASP
HB2
1.902
2
25000
26
ASP
HB2
1.905
2
11187
74
ASP
HB2
1.909
2
19449
39
ASP
HB2
1.909
.
15016
37
ASP
HB2
1.91
.
15797
107
ASP
HB2
1.916
2
7204
75
ASP
HB2
1.919
2
16002
67
ASP
HB2
1.92
.
34184
86
ASP
HB2
1.92
2
5838
23
ASP
HB2
1.92
9
19117
21
ASP
HB2
1.923
2
11275
59
ASP
HB2
1.923
2
30074
88
ASP
HB2
1.923
2
18571
72
ASP
HB2
1.924
2
19771
24
ASP
HB2
1.924
1
27666
78
ASP
HB2
1.925
2
25512
17
ASP
HB2
1.926
2
19585
24
ASP
HB2
1.926
.