ASP HB3 Chemical Shift Outliers

___________________________________________________
ASP HB3 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
10809
2.675
.019
4.58
0.282


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6726
57
ASP
HB3
3.528
2
4195
30
ASP
HB3
3.53
2
6766
71
ASP
HB3
3.544
1
4821
79
ASP
HB3
3.548
1
4165
7
ASP
HB3
3.55
2
15058
44
ASP
HB3
3.556
1
4285
71
ASP
HB3
3.56
1
5342
31
ASP
HB3
3.56
1
4589
3
ASP
HB3
3.57
.
4160
7
ASP
HB3
3.57
1
4160
31
ASP
HB3
3.58
1
5833
114
ASP
HB3
3.58
2
2787
57
ASP
HB3
3.59
2
6883
157
ASP
HB3
3.591
2
6514
57
ASP
HB3
3.61
2
4165
31
ASP
HB3
3.61
2
6093
96
ASP
HB3
3.616
1
4959
117
ASP
HB3
3.616
2
5899
54
ASP
HB3
3.619
.
4376
70
ASP
HB3
3.62
1
5218
207
ASP
HB3
3.63
2
6613
55
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
4487
45
ASP
HB3
3.67
2
6297
29
ASP
HB3
3.706
2
6288
63
ASP
HB3
3.71
.
6262
75
ASP
HB3
3.711
1
7243
20
ASP
HB3
3.716
2
6008
81
ASP
HB3
3.73
2
5294
25
ASP
HB3
3.75
2
5606
71
ASP
HB3
3.75
1
7304
17
ASP
HB3
3.753
2
1875
77
ASP
HB3
3.78
1
4052
77
ASP
HB3
3.78
.
5902
72
ASP
HB3
3.803
2
358
49
ASP
HB3
3.82
2
495
77
ASP
HB3
3.83
1
7270
143
ASP
HB3
3.85
2
6334
49
ASP
HB3
3.911
1
6475
108
ASP
HB3
3.978
2
4528
54
ASP
HB3
4.22
2
15385
75
ASP
HB3
4.231
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
15016
37
ASP
HB3
.019
.
15407
57
ASP
HB3
.472
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
5156
33
ASP
HB3
.77
2
15663
127
ASP
HB3
.78
1
15404
58
ASP
HB3
.798
2
7192
38
ASP
HB3
.84
2
4211
2
ASP
HB3
.92
1
15369
31
ASP
HB3
.987
2
4722
30
ASP
HB3
.99
2
4722
100
ASP
HB3
.99
2
6132
12
ASP
HB3
1.08
2
6854
34
ASP
HB3
1.093
2
5163
21
ASP
HB3
1.105
.
15351
36
ASP
HB3
1.112
2
2384
87
ASP
HB3
1.14
2
4340
85
ASP
HB3
1.17
1
4933
36
ASP
HB3
1.18
1
4930
36
ASP
HB3
1.18
1
4284
93
ASP
HB3
1.2
2
5596
28
ASP
HB3
1.213
2
6231
27
ASP
HB3
1.22
2
4010
95
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
6705
52
ASP
HB3
1.25
.
5205
21
ASP
HB3
1.254
.
7324
64
ASP
HB3
1.289
1
4288
57
ASP
HB3
1.3
2
4788
58
ASP
HB3
1.3
1
5324
41
ASP
HB3
1.312
2
15554
58
ASP
HB3
1.319
2
6161
65
ASP
HB3
1.32
2
4407
79
ASP
HB3
1.33
2
5480
93
ASP
HB3
1.335
2
6318
44
ASP
HB3
1.34
2
695
48
ASP
HB3
1.34
2
4914
53
ASP
HB3
1.34
1
4184
53
ASP
HB3
1.34
2
5324
113
ASP
HB3
1.353
2
4878
53
ASP
HB3
1.37
2
4852
56
ASP
HB3
1.37
1
6465
37
ASP
HB3
1.376
2
7202
60
ASP
HB3
1.38
1
15576
72
ASP
HB3
1.392
2
3471
51
ASP
HB3
1.4
2
6104
92
ASP
HB3
1.403
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
4401
30
ASP
HB3
1.44
1
5851
16
ASP
HB3
1.459
.
6023
20
ASP
HB3
1.46
2
4080
30
ASP
HB3
1.46
2
5480
20
ASP
HB3
1.462
2
4080
106
ASP
HB3
1.47
2
5770
93
ASP
HB3
1.47
2
7190
48
ASP
HB3
1.472
1
5071
21
ASP
HB3
1.49
1
4381
23
ASP
HB3
1.516
2
5722
19
ASP
HB3
1.52
2
5992
21
ASP
HB3
1.53
2
7322
51
ASP
HB3
1.534
2
15385
105
ASP
HB3
1.542
2
5931
21
ASP
HB3
1.55
1
5204
54
ASP
HB3
1.55
2
6002
44
ASP
HB3
1.555
2
6199
163
ASP
HB3
1.56
2
6716
125
ASP
HB3
1.578314
.
4994
15
ASP
HB3
1.58
2
4902
46
ASP
HB3
1.58
1
6376
58
ASP
HB3
1.583
2
15100
66
ASP
HB3
1.59
2
6972
72
ASP
HB3
1.59
2
4271
10
ASP
HB3
1.59
1
6344
123
ASP
HB3
1.59
2
5503
31
ASP
HB3
1.6
2
4739
18
ASP
HB3
1.6
2
6051
58
ASP
HB3
1.615
2
4492
105
ASP
HB3
1.63
.
5707
19
ASP
HB3
1.63
2
392
24
ASP
HB3
1.64
1
4177
54
ASP
HB3
1.64
2
4335
146
ASP
HB3
1.65
2
4703
50
ASP
HB3
1.65
2
5770
20
ASP
HB3
1.66
2
6125
14
ASP
HB3
1.67
2
7310
66
ASP
HB3
1.674
2
5224
19
ASP
HB3
1.68
2
5040
4
ASP
HB3
1.69
1
5232
93
ASP
HB3
1.7
2
6901
69
ASP
HB3
1.71
2
6903
34
ASP
HB3
1.715
1
5844
29
ASP
HB3
1.723
2
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
6193
61
ASP
HB3
1.731
1
4335
17
ASP
HB3
1.74
2
15338
36
ASP
HB3
1.74
2
15623
35
ASP
HB3
1.74
2
15197
35
ASP
HB3
1.74
2
6209
47
ASP
HB3
1.741
2
4998
33
ASP
HB3
1.75
2
6022
45
ASP
HB3
1.75
1
5627
100
ASP
HB3
1.75
2
7083
12
ASP
HB3
1.753
1
6134
72
ASP
HB3
1.76
1
7256
76
ASP
HB3
1.76
2
15197
112
ASP
HB3
1.77
2
5570
16
ASP
HB3
1.77
2
4284
2
ASP
HB3
1.78
2
6073
90
ASP
HB3
1.78
.
15382
46
ASP
HB3
1.79
.
4284
122
ASP
HB3
1.79
2
6454
40
ASP
HB3
1.79
2
6648
26
ASP
HB3
1.795
1
4271
85
ASP
HB3
1.8
1
4082
18
ASP
HB3
1.81
1
10028
32
ASP
HB3
1.815
2
5156
33
ASP
HB3
1.82
2
6159
102
ASP
HB3
1.821
2
7326
4
ASP
HB3
1.823
.
6179
9
ASP
HB3
1.825
2