ASP HB2 Chemical Shift Outliers

___________________________________________________
ASP HB2 Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
11427
2.724
-.39
4.58
0.272


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5247
76
ASP
HB2
3.543
2
11018
45
ASP
HB2
3.55
2
4001
70
ASP
HB2
3.55
2
4145
34
ASP
HB2
3.554
2
6875
67
ASP
HB2
3.56
1
5009
33
ASP
HB2
3.56
.
5342
31
ASP
HB2
3.56
1
15232
83
ASP
HB2
3.57
1
4099
69
ASP
HB2
3.57
2
4099
69
ASP
HB2
3.57
2
6613
55
ASP
HB2
3.576
2
15097
27
ASP
HB2
3.58
2
5998
56
ASP
HB2
3.59
2
6759
34
ASP
HB2
3.59
.
5127
76
ASP
HB2
3.594
2
6976
30
ASP
HB2
3.595
2
5391
53
ASP
HB2
3.6
.
4077
37
ASP
HB2
3.61
2
6826
32
ASP
HB2
3.61
2
5232
112
ASP
HB2
3.61
2
5232
51
ASP
HB2
3.61
2
4472
38
ASP
HB2
3.62
2
5206
70
ASP
HB2
3.62
1
4376
70
ASP
HB2
3.62
1
6125
152
ASP
HB2
3.62
2
6847
118
ASP
HB2
3.627
2
15276
95
ASP
HB2
3.63
2
5565
17
ASP
HB2
3.64
2
6603
118
ASP
HB2
3.64
2
5482
25
ASP
HB2
3.65
2
15037
20
ASP
HB2
3.654
2
5275
21
ASP
HB2
3.685
2
4892
71
ASP
HB2
3.69
.
15079
34
ASP
HB2
3.697
2
5961
32
ASP
HB2
3.7
2
15036
23
ASP
HB2
3.702
2
5194
40
ASP
HB2
3.71
2
6378
41
ASP
HB2
3.71
2
6746
7
ASP
HB2
3.711
2
4083
63
ASP
HB2
3.72
2
4463
42
ASP
HB2
3.72
2
15039
43
ASP
HB2
3.729
1
4938
43
ASP
HB2
3.73
2
6826
11
ASP
HB2
3.748
2
5303
54
ASP
HB2
3.751
2
4589
3
ASP
HB2
3.76
.
4472
57
ASP
HB2
3.76
2
1875
77
ASP
HB2
3.78
1
4101
175
ASP
HB2
3.8
2
4472
64
ASP
HB2
3.82
2
495
77
ASP
HB2
3.83
1
4487
45
ASP
HB2
3.84
2
6152
73
ASP
HB2
3.846
.
15232
77
ASP
HB2
3.875
1
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
6903
76
ASP
HB2
4.12
1
6604
65
ASP
HB2
4.335
2
4782
2
ASP
HB2
4.47
2
4890
2
ASP
HB2
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
10028
32
ASP
HB2
-.023
2
6008
72
ASP
HB2
-.39
2
6901
69
ASP
HB2
.578
2
5224
19
ASP
HB2
.65
2
6391
100
ASP
HB2
.81
2
15407
57
ASP
HB2
.848
2
5156
33
ASP
HB2
.85
2
6120
52
ASP
HB2
.88
2
6344
123
ASP
HB2
1.03
2
5602
17
ASP
HB2
1.045
2
15100
66
ASP
HB2
1.09
2
6199
163
ASP
HB2
1.1
2
6869
24
ASP
HB2
1.12
1
15295
85
ASP
HB2
1.137
2
15338
36
ASP
HB2
1.15
2
15350
60
ASP
HB2
1.18
2
5820
98
ASP
HB2
1.2
.
4930
36
ASP
HB2
1.3
1
4933
36
ASP
HB2
1.3
1
4918
113
ASP
HB2
1.32
2
2384
87
ASP
HB2
1.33
2
5077
63
ASP
HB2
1.34
2
4310
93
ASP
HB2
1.34
2
5627
100
ASP
HB2
1.35
2
6541
93
ASP
HB2
1.356
1
4045
78
ASP
HB2
1.37
2
4159
9
ASP
HB2
1.421
1
5347
21
ASP
HB2
1.429
1
15320
54
ASP
HB2
1.43
2
5738
30
ASP
HB2
1.439
2
5294
31
ASP
HB2
1.46
2
4211
2
ASP
HB2
1.47
1
6541
20
ASP
HB2
1.477
1
6103
33
ASP
HB2
1.478
2
6045
28
ASP
HB2
1.48
2
6104
20
ASP
HB2
1.487
2
6134
72
ASP
HB2
1.5
1
4310
20
ASP
HB2
1.51
2
5931
21
ASP
HB2
1.55
1
6716
125
ASP
HB2
1.578314
.
4491
61
ASP
HB2
1.58
2
4902
46
ASP
HB2
1.58
1
4318
64
ASP
HB2
1.58
2
4140
61
ASP
HB2
1.58
2
5073
53
ASP
HB2
1.595
.
5821
95
ASP
HB2
1.6
2
15427
105
ASP
HB2
1.6
2
5823
95
ASP
HB2
1.6
2
7256
36
ASP
HB2
1.61
2
6918
40
ASP
HB2
1.61
1
325
55
ASP
HB2
1.61
2
6081
103
ASP
HB2
1.614
1
6820
40
ASP
HB2
1.615
1
4798
109
ASP
HB2
1.63
2
392
24
ASP
HB2
1.64
1
6181
57
ASP
HB2
1.65
1
6932
126
ASP
HB2
1.66
2
4378
109
ASP
HB2
1.66
2
6161
65
ASP
HB2
1.66
2
6333
120
ASP
HB2
1.68
2
15197
149
ASP
HB2
1.69
2
6366
110
ASP
HB2
1.69
1
5049
104
ASP
HB2
1.7
2
7210
27
ASP
HB2
1.711
2
5807
16
ASP
HB2
1.72
2
6705
52
ASP
HB2
1.725
.
15623
39
ASP
HB2
1.73
2
6365
79
ASP
HB2
1.73
1
15197
39
ASP
HB2
1.73
2
5275
150
ASP
HB2
1.733
2
15058
14
ASP
HB2
1.737
1
4879
102
ASP
HB2
1.74
1
4798
73
ASP
HB2
1.74
2
6972
72
ASP
HB2
1.74
2
4648
31
ASP
HB2
1.75
.
6022
45
ASP
HB2
1.75
1
4092
130
ASP
HB2
1.76
2
6613
51
ASP
HB2
1.779
2
5040
4
ASP
HB2
1.79
1
5156
33
ASP
HB2
1.79
2
5205
21
ASP
HB2
1.792
.
6517
23
ASP
HB2
1.8
2
6332
15
ASP
HB2
1.801
2
5323
56
ASP
HB2
1.817
2
349
63
ASP
HB2
1.82
2
1918
3
ASP
HB2
1.82
2
9
5
ASP
HB2
1.82
2
1917
4
ASP
HB2
1.82
2
6332
105
ASP
HB2
1.822
2
5027
55
ASP
HB2
1.83
2
6725
41
ASP
HB2
1.83
2
4878
53
ASP
HB2
1.84
2
4798
47
ASP
HB2
1.84
2
5820
194
ASP
HB2
1.846
.
6536
36
ASP
HB2
1.847
2
15197
116
ASP
HB2
1.85
2
6454
40
ASP
HB2
1.85
2
1663
75
ASP
HB2
1.85
2
15281
31
ASP
HB2
1.854
2
15242
67
ASP
HB2
1.856
.
6829
18
ASP
HB2
1.86
2
7115
96
ASP
HB2
1.87
1
15063
37
ASP
HB2
1.873
2
15591
24
ASP
HB2
1.873
2
6376
58
ASP
HB2
1.876
2
5821
111
ASP
HB2
1.89
2
5823
111
ASP
HB2
1.89
2
15351
36
ASP
HB2
1.897
2
6447
76
ASP
HB2
1.9
2
6854
34
ASP
HB2
1.9
2
5683
73
ASP
HB2
1.9
.
5755
83
ASP
HB2
1.901
1
7204
123
ASP
HB2
1.901
2