ASP HB3 Chemical Shift Outliers

___________________________________________________
ASP HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29418
2.660
-.226
4.58
0.270


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6361
88
ASP
HB3
3.473
2
5071
29
ASP
HB3
3.475
1
6012
34
ASP
HB3
3.477
2
17448
94
ASP
HB3
3.477
2
16585
83
ASP
HB3
3.48
2
5796
95
ASP
HB3
3.48
2
1478
65
ASP
HB3
3.48
2
1869
71
ASP
HB3
3.48
2
15960
61
ASP
HB3
3.48
.
1870
53
ASP
HB3
3.48
2
18653
94
ASP
HB3
3.483
1
11590
40
ASP
HB3
3.483
2
15528
98
ASP
HB3
3.484
2
5398
174
ASP
HB3
3.489
2
4052
83
ASP
HB3
3.49
.
6787
49
ASP
HB3
3.49
2
6908
83
ASP
HB3
3.49
2
15798
135
ASP
HB3
3.492
2
19431
104
ASP
HB3
3.496
2
20014
9
ASP
HB3
3.498
.
4919
22
ASP
HB3
3.498
1
6132
19
ASP
HB3
3.5
2
5838
69
ASP
HB3
3.5
1
17960
65
ASP
HB3
3.504
2
5961
32
ASP
HB3
3.51
2
4105
70
ASP
HB3
3.51
2
5314
24
ASP
HB3
3.51
1
15242
52
ASP
HB3
3.517
.
6439
15
ASP
HB3
3.517
2
19056
110
ASP
HB3
3.518
2
15797
135
ASP
HB3
3.518
2
16881
57
ASP
HB3
3.52
2
15770
72
ASP
HB3
3.52
2
4946
56
ASP
HB3
3.52
2
34085
46
ASP
HB3
3.523
2
6726
57
ASP
HB3
3.528
2
17574
71
ASP
HB3
3.53
2
17745
154
ASP
HB3
3.53
2
4195
30
ASP
HB3
3.53
2
11186
37
ASP
HB3
3.533
2
36129
86
ASP
HB3
3.537
.
15902
46
ASP
HB3
3.54
2
26789
60
ASP
HB3
3.54
2
11299
23
ASP
HB3
3.543
2
6766
71
ASP
HB3
3.544
1
18013
83
ASP
HB3
3.545
2
4821
79
ASP
HB3
3.548
1
11299
41
ASP
HB3
3.552
2
15058
44
ASP
HB3
3.556
1
10333
44
ASP
HB3
3.558
2
5342
31
ASP
HB3
3.56
1
4285
71
ASP
HB3
3.56
1
36177
14
ASP
HB3
3.563
.
18188
131
ASP
HB3
3.57
2
4589
3
ASP
HB3
3.57
.
10239
157
ASP
HB3
3.577
2
16801
15
ASP
HB3
3.58
2
5833
114
ASP
HB3
3.58
2
26777
71
ASP
HB3
3.582
2
15783
61
ASP
HB3
3.586
.
25453
112
ASP
HB3
3.586
2
25168
68
ASP
HB3
3.589
2
17091
31
ASP
HB3
3.59
2
15543
70
ASP
HB3
3.59
2
2787
57
ASP
HB3
3.59
2
15670
38
ASP
HB3
3.593
2
17551
11
ASP
HB3
3.598
2
5377
69
ASP
HB3
3.6
2
6514
57
ASP
HB3
3.61
2
18966
103
ASP
HB3
3.613
2
18794
16
ASP
HB3
3.614
2
4959
117
ASP
HB3
3.616
2
6093
96
ASP
HB3
3.616
1
5899
54
ASP
HB3
3.619
.
4376
70
ASP
HB3
3.62
1
15507
66
ASP
HB3
3.629
2
6613
55
ASP
HB3
3.63
2
5218
207
ASP
HB3
3.63
2
15315
20
ASP
HB3
3.632
2
6093
32
ASP
HB3
3.632
1
7189
89
ASP
HB3
3.644
2
11298
35
ASP
HB3
3.646
2
25297
9
ASP
HB3
3.667
2
6007
81
ASP
HB3
3.67
2
4487
45
ASP
HB3
3.67
2
18878
62
ASP
HB3
3.674
2
19746
53
ASP
HB3
3.684
.
25346
54
ASP
HB3
3.69
2
19154
8
ASP
HB3
3.69
2
26776
64
ASP
HB3
3.693
2
16066
52
ASP
HB3
3.694
2
26777
64
ASP
HB3
3.695
2
19498
47
ASP
HB3
3.697
2
18624
33
ASP
HB3
3.701
2
6297
29
ASP
HB3
3.706
2
25918
57
ASP
HB3
3.707
2
6288
63
ASP
HB3
3.71
.
7243
20
ASP
HB3
3.716
2
26776
45
ASP
HB3
3.726
2
15688
43
ASP
HB3
3.729
2
6008
81
ASP
HB3
3.73
2
18210
7
ASP
HB3
3.731
1
25807
36
ASP
HB3
3.735
1
10211
59
ASP
HB3
3.735
2
34307
100
ASP
HB3
3.736
2
30094
20
ASP
HB3
3.742
2
18215
119
ASP
HB3
3.745
2
15440
71
ASP
HB3
3.749
2
5294
25
ASP
HB3
3.75
2
5606
71
ASP
HB3
3.75
1
7304
17
ASP
HB3
3.753
2
19497
30
ASP
HB3
3.77
2
4052
77
ASP
HB3
3.78
.
1875
77
ASP
HB3
3.78
1
30033
20
ASP
HB3
3.783
.
11320
85
ASP
HB3
3.785
2
26603
112
ASP
HB3
3.785
2
30089
16
ASP
HB3
3.797
.
5902
72
ASP
HB3
3.803
2
17288
95
ASP
HB3
3.805
2
16585
77
ASP
HB3
3.81
2
358
49
ASP
HB3
3.82
2
18047
34
ASP
HB3
3.823
2
495
77
ASP
HB3
3.83
1
16120
102
ASP
HB3
3.835
2
18788
77
ASP
HB3
3.84
2
26769
71
ASP
HB3
3.851
2
27565
86
ASP
HB3
3.854
.
18013
77
ASP
HB3
3.885
2
17879
101
ASP
HB3
3.891
2
25919
104
ASP
HB3
3.9
2
6334
49
ASP
HB3
3.911
1
6475
108
ASP
HB3
3.978
2
18874
28
ASP
HB3
4.013
2
4528
54
ASP
HB3
4.22
2
15385
75
ASP
HB3
4.231
2
19117
123
ASP
HB3
4.32
2
4782
80
ASP
HB3
4.47
2
4890
2
ASP
HB3
4.58
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25000
26
ASP
HB3
-.039
2
18502
21
ASP
HB3
-.182
2
18500
21
ASP
HB3
-.226
2
17543
22
ASP
HB3
-.226
2
15016
37
ASP
HB3
.019
.
25865
24
ASP
HB3
.026
2
10214
32
ASP
HB3
.091
2
18112
138
ASP
HB3
.157
2
18292
26
ASP
HB3
.172
2
10215
32
ASP
HB3
.172
2
25866
24
ASP
HB3
.293
2
19047
90
ASP
HB3
.388
1
19047
90
ASP
HB3
.4
1
15407
57
ASP
HB3
.472
2
19048
90
ASP
HB3
.507
1
19048
90
ASP
HB3
.527
1
18415
66
ASP
HB3
.568
2
6890
29
ASP
HB3
.59
2
6086
27
ASP
HB3
.602
2
4173
99
ASP
HB3
.65
2
6120
52
ASP
HB3
.67
2
11040
37
ASP
HB3
.722
2
15746
82
ASP
HB3
.733
2
5156
33
ASP
HB3
.77
2
15663
127
ASP
HB3
.78
1
18053
30
ASP
HB3
.789
2
16643
57
ASP
HB3
.822
2
7192
38
ASP
HB3
.84
2
25754
9
ASP
HB3
.849
2
16679
185
ASP
HB3
.89
2
4211
2
ASP
HB3
.92
1
30317
27
ASP
HB3
.958
.
16141
32
ASP
HB3
.97
.
18717
88
ASP
HB3
.974
2
15369
31
ASP
HB3
.987
2
4722
100
ASP
HB3
.99
2
4722
30
ASP
HB3
.99
2
18459
78
ASP
HB3
1.001
2
16250
76
ASP
HB3
1.018
2
30011
28
ASP
HB3
1.024
2
16648
92
ASP
HB3
1.025
2
19132
5
ASP
HB3
1.038
2
6132
12
ASP
HB3
1.08
2
10080
90
ASP
HB3
1.08
2
27078
169
ASP
HB3
1.09
2
11134
36
ASP
HB3
1.09
2
6854
34
ASP
HB3
1.093
2
11408
41
ASP
HB3
1.1
2
6688
25
ASP
HB3
1.1
1
5163
21
ASP
HB3
1.105
.
11405
41
ASP
HB3
1.106
2
17518
64
ASP
HB3
1.107
1
15510
37
ASP
HB3
1.11
2
15510
37
ASP
HB3
1.11
2
15351
36
ASP
HB3
1.112
2
15510
37
ASP
HB3
1.12
2
17447
99
ASP
HB3
1.129
2
18948
9
ASP
HB3
1.131
.
2384
87
ASP
HB3
1.14
2
19449
39
ASP
HB3
1.16
.
4340
85
ASP
HB3
1.17
1
19397
16
ASP
HB3
1.177
.
4933
36
ASP
HB3
1.18
1
4930
36
ASP
HB3
1.18
1
30377
26
ASP
HB3
1.197
.
4284
93
ASP
HB3
1.2
2
5596
28
ASP
HB3
1.213
2
25945
14
ASP
HB3
1.214
2
4010
95
ASP
HB3
1.22
2
6231
27
ASP
HB3
1.22
2
5872
74
ASP
HB3
1.23
2
6079
32
ASP
HB3
1.235
1
4680
36
ASP
HB3
1.24
2
30501
30
ASP
HB3
1.247
.
30376
26
ASP
HB3
1.25
.
6705
52
ASP
HB3
1.25
.
5205
21
ASP
HB3
1.254
.
16216
58
ASP
HB3
1.26
2
26657
101
ASP
HB3
1.262
2
15810
71
ASP
HB3
1.263
2
16764
93
ASP
HB3
1.28
2
26765
94
ASP
HB3
1.298
2
16946
111
ASP
HB3
1.298
1
4788
58
ASP
HB3
1.3
1
4288
57
ASP
HB3
1.3
2
36005
93
ASP
HB3
1.309
.
25434
29
ASP
HB3
1.31
.
16929
113
ASP
HB3
1.311
2
5324
41
ASP
HB3
1.312
2
15554
58
ASP
HB3
1.319
2
6161
65
ASP
HB3
1.32
2
25757
95
ASP
HB3
1.321
1
4407
79
ASP
HB3
1.33
2
5480
93
ASP
HB3
1.335
2
6318
44
ASP
HB3
1.34
2
4914
53
ASP
HB3
1.34
1
695
48
ASP
HB3
1.34
2
18084
12
ASP
HB3
1.342
2
18323
16
ASP
HB3
1.345
2
30156
93
ASP
HB3
1.348
2
30063
93
ASP
HB3
1.352
2
5324
113
ASP
HB3
1.353
2
19376
20
ASP
HB3
1.358
.
25770
4
ASP
HB3
1.358
2
10110
75
ASP
HB3
1.359
2
4852
56
ASP
HB3
1.37
1
4878
53
ASP
HB3
1.37
2
16764
20
ASP
HB3
1.38
2
10068
132
ASP
HB3
1.384
2
18473
104
ASP
HB3
1.384
2
19321
56
ASP
HB3
1.391
2
15576
72
ASP
HB3
1.392
2
3471
51
ASP
HB3
1.4
2
34201
105
ASP
HB3
1.4
2
6104
92
ASP
HB3
1.403
2
18976
96
ASP
HB3
1.404
2
25421
27
ASP
HB3
1.406
2
30009
28
ASP
HB3
1.413
2
25577
77
ASP
HB3
1.413
1
25497
71
ASP
HB3
1.414
2
11217
37
ASP
HB3
1.42
2
4159
9
ASP
HB3
1.421
1
5347
21
ASP
HB3
1.429
1
6023
93
ASP
HB3
1.43
2
4284
20
ASP
HB3
1.43
2
18152
87
ASP
HB3
1.438
2
25437
34
ASP
HB3
1.439
.
4401
30
ASP
HB3
1.44
1
15487
65
ASP
HB3
1.444
.
19816
16
ASP
HB3
1.45
2
18398
57
ASP
HB3
1.454
2
11094
27
ASP
HB3
1.459
2
5851
16
ASP
HB3
1.459
.
11267
70
ASP
HB3
1.46
2
6023
20
ASP
HB3
1.46
2
4080
30
ASP
HB3
1.46
2
5480
20
ASP
HB3
1.462
2
19771
24
ASP
HB3
1.468
1
15935
86
ASP
HB3
1.468
2
5770
93
ASP
HB3
1.47
2
34189
13
ASP
HB3
1.47
.
19817
16
ASP
HB3
1.47
1
4080
106
ASP
HB3
1.47
2
7190
48
ASP
HB3
1.472
1
5071
21
ASP
HB3
1.49
1
18082
20
ASP
HB3
1.501
2
26723
59
ASP
HB3
1.505
2
30156
20
ASP
HB3
1.506
2
16266
102
ASP
HB3
1.507
2
34262
20
ASP
HB3
1.51
2
11121
65
ASP
HB3
1.51
2
18976
23
ASP
HB3
1.512
2
30063
20
ASP
HB3
1.513
2
36005
20
ASP
HB3
1.515
.
26022
82
ASP
HB3
1.515
.
4381
23
ASP
HB3
1.516
2
17741
9
ASP
HB3
1.518
2
5722
19
ASP
HB3
1.52
2
26775
68
ASP
HB3
1.525
2
36011
68
ASP
HB3
1.525
2
5992
21
ASP
HB3
1.53
2
19319
52
ASP
HB3
1.535
2
36175
21
ASP
HB3
1.539
.
16216
24
ASP
HB3
1.54
2
19061
62
ASP
HB3
1.541
.
18613
146
ASP
HB3
1.541
2
15385
105
ASP
HB3
1.542
2
10254
70
ASP
HB3
1.544
2
30070
42
ASP
HB3
1.547
2
15028
76
ASP
HB3
1.548
2
27353
81
ASP
HB3
1.55
1
5204
54
ASP
HB3
1.55
2
18573
12
ASP
HB3
1.55
.
11095
27
ASP
HB3
1.552
1
19293
62
ASP
HB3
1.554
.
6002
44
ASP
HB3
1.555
2
5711
62
ASP
HB3
1.556
2
6199
163
ASP
HB3
1.56
2
34009
38
ASP
HB3
1.565
.
11486
13
ASP
HB3
1.566
2
16032
53
ASP
HB3
1.575
2
6716
125
ASP
HB3
1.578314
.
11488
68
ASP
HB3
1.579
2
4994
15
ASP
HB3
1.58
2
4902
46
ASP
HB3
1.58
1
18677
46
ASP
HB3
1.581
.
6376
58
ASP
HB3
1.583
2
6972
77
ASP
HB3
1.59
2
30188
8
ASP
HB3
1.59
1
15100
66
ASP
HB3
1.59
2
4271
10
ASP
HB3
1.59
1
19193
10
ASP
HB3
1.59
2
4739
18
ASP
HB3
1.6
2
5503
31
ASP
HB3
1.6
2
15755
21
ASP
HB3
1.6
2
15644
84
ASP
HB3
1.604
1
17853
49
ASP
HB3
1.611
1
6051
58
ASP
HB3
1.615
2
19067
88
ASP
HB3
1.618
2
18249
132
ASP
HB3
1.619
2
16002
70
ASP
HB3
1.62
2
16039
81
ASP
HB3
1.625
2
4492
105
ASP
HB3
1.63
.
5707
19
ASP
HB3
1.63
2
392
24
ASP
HB3
1.64
1
16675
153
ASP
HB3
1.65
2
4335
146
ASP
HB3
1.65
2
4703
50
ASP
HB3
1.65
2
5770
20
ASP
HB3
1.66
2
30047
73
ASP
HB3
1.66
2
7298
33
ASP
HB3
1.663
2
17315
40
ASP
HB3
1.667
2
6125
14
ASP
HB3
1.67
2
7310
66
ASP
HB3
1.674
2
15851
44
ASP
HB3
1.676
2
25832
84
ASP
HB3
1.678
2
10219
15
ASP
HB3
1.679
2
5224
19
ASP
HB3
1.68
2
27062
30
ASP
HB3
1.681
1
25221
18
ASP
HB3
1.683
2
25239
178
ASP
HB3
1.686
1
18917
39
ASP
HB3
1.686
2
18620
86
ASP
HB3
1.686
2
26011
107
ASP
HB3
1.688
2
5040
4
ASP
HB3
1.69
1
16929
96
ASP
HB3
1.69
2
17289
25
ASP
HB3
1.69
2
17289
85
ASP
HB3
1.693
2
11169
17
ASP
HB3
1.696
2
17405
77
ASP
HB3
1.697
2
5232
93
ASP
HB3
1.7
2
34095
44
ASP
HB3
1.701
2
27048
16
ASP
HB3
1.702
2
19955
31
ASP
HB3
1.704
1
6901
69
ASP
HB3
1.71
2
19987
32
ASP
HB3
1.71
2
18133
124
ASP
HB3
1.711
2
6903
34
ASP
HB3
1.715
1
6759
142
ASP
HB3
1.724
.
4381
57
ASP
HB3
1.726
2
7181
75
ASP
HB3
1.73
2
15623
112
ASP
HB3
1.73
2
17809
22
ASP
HB3
1.73
2
6193
61
ASP
HB3
1.731
1
18621
91
ASP
HB3
1.734
2
4335
17
ASP
HB3
1.74
2
15338
36
ASP
HB3
1.74
2
15623
35
ASP
HB3
1.74
2
11289
46
ASP
HB3
1.74
2
15197
35
ASP
HB3
1.74
2
6209
47
ASP
HB3
1.741
2
25852
78
ASP
HB3
1.741
1
27159
76
ASP
HB3
1.743
1
30515
37
ASP
HB3
1.743
1
10153
17
ASP
HB3
1.745
2
11149
25
ASP
HB3
1.749
2
6022
45
ASP
HB3
1.75
1
4998
33
ASP
HB3
1.75
2
5627
100
ASP
HB3
1.75
2
25031
27
ASP
HB3
1.751
2
11108
105
ASP
HB3
1.753
2
17368
55
ASP
HB3
1.756
2
26687
50
ASP
HB3
1.759
2
6134
72
ASP
HB3
1.76
1
7256
76
ASP
HB3
1.76
2
4486
103
ASP
HB3
1.76
2
19256
140
ASP
HB3
1.76063
.
15012
73
ASP
HB3
1.761
2
17300
13
ASP
HB3
1.763
2
16175
1
ASP
HB3
1.768
2
18621
19
ASP
HB3
1.769
2
5570
16
ASP
HB3
1.77
2
15197
112
ASP
HB3
1.77
2
10070
59
ASP
HB3
1.77
2
19206
123
ASP
HB3
1.776
2
11352
33
ASP
HB3
1.776
2
11354
33
ASP
HB3
1.779
2
6073
90
ASP
HB3
1.78
.
4284
2
ASP
HB3
1.78
2
25716
17
ASP
HB3
1.783
.
19633
62
ASP
HB3
1.785
2
25451
46
ASP
HB3
1.786
2
34015
90
ASP
HB3
1.787
1
25411
91
ASP
HB3
1.787
1
4284
122
ASP
HB3
1.79
2
15382
46
ASP
HB3
1.79
.
16811
5
ASP
HB3
1.79
2
6454
40
ASP
HB3
1.79
2
11219
30
ASP
HB3
1.791
2
6648
26
ASP
HB3
1.795
1
4271
85
ASP
HB3
1.8
1
17833
59
ASP
HB3
1.808
2
17490
61
ASP
HB3
1.809
2
19197
85
ASP
HB3
1.81
2
4127
6
ASP
HB3
1.81
2
26919
15
ASP
HB3
1.81
2
4082
18
ASP
HB3
1.81
1
15606
17
ASP
HB3
1.812
2
10028
32
ASP
HB3
1.815
2
19380
57
ASP
HB3
1.817
2
26901
62
ASP
HB3
1.817
2
5156
33
ASP
HB3
1.82
2
34262
93
ASP
HB3
1.82
2
18577
35
ASP
HB3
1.82
2
6159
102
ASP
HB3
1.821
2
16862
35
ASP
HB3
1.822
.
17532
35
ASP
HB3
1.822
2
7326
4
ASP
HB3
1.823
.
6179
9
ASP
HB3
1.825
2
30397
87
ASP
HB3
1.827
1
11591
75
ASP
HB3
1.829
2
4117
78
ASP
HB3
1.83
2
17491
61
ASP
HB3
1.831
2
6759
49
ASP
HB3
1.832
.
10265
82
ASP
HB3
1.832
2
7059
110
ASP
HB3
1.832
2
5686
52
ASP
HB3
1.834
2
19220
74
ASP
HB3
1.834
2
18587
32
ASP
HB3
1.835
2
34301
83
ASP
HB3
1.838
2
15312
42
ASP
HB3
1.839
.
4045
78
ASP
HB3
1.84
2
15716
53
ASP
HB3
1.84
2
11171
17
ASP
HB3
1.842
2
16572
21
ASP
HB3
1.842
2
25832
103
ASP
HB3
1.845
2
10316
53
ASP
HB3
1.845
2
36179
17
ASP
HB3
1.846
.