ASP H Chemical Shift Outliers

___________________________________________________
ASP H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
15888
8.316
4.16
12.612
0.576


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15065
225
ASP
H
10.05
1
6542
83
ASP
H
10.07
1
7000
23
ASP
H
10.07
1
15248
41
ASP
H
10.073
1
6189
26
ASP
H
10.082
1
4102
81
ASP
H
10.09
1
6468
315
ASP
H
10.091
1
4681
79
ASP
H
10.1
.
6821
125
ASP
H
10.103
.
5792
30
ASP
H
10.11
1
4887
92
ASP
H
10.118
1
5222
70
ASP
H
10.12
1
5659
32
ASP
H
10.125
1
15250
41
ASP
H
10.13
1
6821
124
ASP
H
10.135
.
15242
95
ASP
H
10.143
.
4447
161
ASP
H
10.143
1
15315
39
ASP
H
10.158
1
15067
225
ASP
H
10.16
1
6995
18
ASP
H
10.16
1
15064
225
ASP
H
10.16
1
15162
9
ASP
H
10.16
1
5961
76
ASP
H
10.17
1
15066
225
ASP
H
10.17
1
4876
92
ASP
H
10.19
1
5961
29
ASP
H
10.19
1
15244
29
ASP
H
10.191
1
6838
141
ASP
H
10.215
1
6460
2
ASP
H
10.217
1
7059
136
ASP
H
10.235
1
15237
29
ASP
H
10.235
1
6914
154
ASP
H
10.24
.
4171
107
ASP
H
10.26
1
4528
12
ASP
H
10.26
1
6733
128
ASP
H
10.264
.
5961
70
ASP
H
10.27
1
6735
128
ASP
H
10.278
.
4944
65
ASP
H
10.28
1
6734
128
ASP
H
10.29
.
5899
11
ASP
H
10.293
.
6310
89
ASP
H
10.317
.
5303
12
ASP
H
10.359
1
5124
67
ASP
H
10.373
.
4821
101
ASP
H
10.38
1
5961
35
ASP
H
10.38
1
5123
67
ASP
H
10.386
.
7263
32
ASP
H
10.39
1
15243
165
ASP
H
10.4
1
7321
38
ASP
H
10.41
1
15170
42
ASP
H
10.429
1
6118
76
ASP
H
10.43
1
5244
14
ASP
H
10.439
1
4332
89
ASP
H
10.44
1
6693
120
ASP
H
10.447
1
6075
65
ASP
H
10.45
1
6449
141
ASP
H
10.48
1
7321
32
ASP
H
10.5
1
15219
145
ASP
H
10.5
1
6312
118
ASP
H
10.518
1
6925
81
ASP
H
10.519
1
6563
65
ASP
H
10.521
1
4403
44
ASP
H
10.54
1
6265
20
ASP
H
10.54
1
6429
141
ASP
H
10.56
1
4102
148
ASP
H
10.57
1
7130
266
ASP
H
10.573
1
6125
14
ASP
H
10.63
1
5210
36
ASP
H
10.649
1
5567
41
ASP
H
10.65
1
2442
21
ASP
H
10.74
1
7316
56
ASP
H
10.753
1
5697
22
ASP
H
10.77
1
5696
22
ASP
H
10.77
1
5884
134
ASP
H
11.012
1
15303
168
ASP
H
11.03
1
4716
148
ASP
H
11.05
1
1323
80
ASP
H
11.06
1
4388
161
ASP
H
11.1
1
1324
80
ASP
H
11.12
1
1208
80
ASP
H
11.12
1
11000
2
ASP
H
11.13
1
7191
75
ASP
H
11.133
1
932
29
ASP
H
11.24
1
2030
30
ASP
H
11.27
1
6267
62
ASP
H
11.36
1
6254
30
ASP
H
11.388
1
7078
10
ASP
H
11.48
1
7078
36
ASP
H
11.49
1
15046
62
ASP
H
11.52
1
5617
10
ASP
H
11.53
1
1495
10
ASP
H
11.54
1
6590
42
ASP
H
11.55
1
5315
68
ASP
H
11.74
1
5389
69
ASP
H
11.9
1
4981
58
ASP
H
12.4
1
5666
210
ASP
H
12.612
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5628
40
ASP
H
4.16
1
6695
81
ASP
H
4.34
1
4697
94
ASP
H
5.43
.
7088
222
ASP
H
5.481
1
6901
87
ASP
H
5.588
1
6644
155
ASP
H
5.66
1
5484
115
ASP
H
5.788
1
6700
33
ASP
H
5.8
.
5826
115
ASP
H
5.857
.
5456
20
ASP
H
5.89
1
5407
98
ASP
H
6.031
.
4352
115
ASP
H
6.12
1
10010
132
ASP
H
6.14
1
6416
80
ASP
H
6.16
.
6972
18
ASP
H
6.17
1
4293
115
ASP
H
6.18
1
6758
185
ASP
H
6.19
1
4166
93
ASP
H
6.198
1
6821
52
ASP
H
6.214
.
6229
382
ASP
H
6.218
1
4167
93
ASP
H
6.24
1
6226
34
ASP
H
6.25
1
7138
147
ASP
H
6.256
.
15101
17
ASP
H
6.341
1
6136
235
ASP
H
6.359
1
5224
19
ASP
H
6.36
1
6783
181
ASP
H
6.37
1
4574
80
ASP
H
6.38
1
1766
51
ASP
H
6.39
1
6888
60
ASP
H
6.396
1
6434
131
ASP
H
6.415
1
5070
68
ASP
H
6.43
1
5116
31
ASP
H
6.45
1
15595
108
ASP
H
6.466
1
5115
31
ASP
H
6.47
1
6047
99
ASP
H
6.49
1
6229
217
ASP
H
6.498
1
6324
74
ASP
H
6.516
1
5666
82
ASP
H
6.53
1
5225
48
ASP
H
6.53
1
2030
10
ASP
H
6.54
1
5100
15
ASP
H
6.54
1
4848
163
ASP
H
6.55
.
695
51
ASP
H
6.55
1
5100
15
ASP
H
6.56
1