ALA H Chemical Shift Outliers

___________________________________________________
ALA H Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
20088
8.188
3.53
11.58
0.608


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7231
87
ALA
H
10.014
1
5513
18
ALA
H
10.054
1
7009
56
ALA
H
10.061
.
5552
90
ALA
H
10.07
1
5000
86
ALA
H
10.07
1
5619
119
ALA
H
10.07
1
7130
245
ALA
H
10.07
1
4782
32
ALA
H
10.07
1
6986
126
ALA
H
10.07
1
5595
114
ALA
H
10.08
1
6826
29
ALA
H
10.089
1
6071
60
ALA
H
10.09
1
7130
164
ALA
H
10.09
1
6434
59
ALA
H
10.118
1
5517
82
ALA
H
10.13
1
4844
139
ALA
H
10.144
1
4918
76
ALA
H
10.15
1
6838
225
ALA
H
10.176
1
6032
60
ALA
H
10.22
.
6932
28
ALA
H
10.23
1
6786
137
ALA
H
10.234
1
15071
80
ALA
H
10.24
1
5721
137
ALA
H
10.24
1
5031
6
ALA
H
10.24
1
15070
80
ALA
H
10.24
1
5898
142
ALA
H
10.24
1
6090
137
ALA
H
10.249
1
6692
66
ALA
H
10.275
1
15199
192
ALA
H
10.289
1
6229
161
ALA
H
10.295
1
6517
36
ALA
H
10.31
1
4731
14
ALA
H
10.34
1
6283
63
ALA
H
10.34
1
4589
54
ALA
H
10.35
.
5244
13
ALA
H
10.375
1
15204
91
ALA
H
10.399
1
6184
164
ALA
H
10.433
1
15247
133
ALA
H
10.44
1
6354
33
ALA
H
10.45
1
4264
100
ALA
H
10.46
1
4264
100
ALA
H
10.46
1
15514
212
ALA
H
10.465
1
4354
168
ALA
H
10.481
1
5819
55
ALA
H
10.52
1
6051
97
ALA
H
10.547
1
7004
64
ALA
H
10.55
1
5511
13
ALA
H
10.57
1
15424
13
ALA
H
10.666
1
5666
37
ALA
H
10.714
1
7300
3
ALA
H
10.73
1
7300
2
ALA
H
10.74
1
4986
168
ALA
H
10.75
1
5514
37
ALA
H
10.79
1
5499
42
ALA
H
10.81
.
6047
166
ALA
H
10.84
1
349
66
ALA
H
10.86
1
6055
166
ALA
H
10.86
1
6429
105
ALA
H
10.88
1
7130
95
ALA
H
10.91
1
6304
75
ALA
H
10.936
1
6514
144
ALA
H
10.94
1
15327
76
ALA
H
10.95
1
7286
144
ALA
H
10.976
1
4331
45
ALA
H
11.05
1
4384
114
ALA
H
11.136
1
15250
167
ALA
H
11.194
1
15219
109
ALA
H
11.2
1
15248
167
ALA
H
11.224
1
5918
67
ALA
H
11.25
1
2224
67
ALA
H
11.35
1
7277
67
ALA
H
11.479
1
4265
23
ALA
H
11.58
1
5843
85
ALA
H
11.58
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6231
94
ALA
H
3.53
1
5628
108
ALA
H
3.8
1
4101
32
ALA
H
3.97
1
5012
50
ALA
H
4.04
1
5171
37
ALA
H
4.36
.
5497
59
ALA
H
4.884
1
4886
150
ALA
H
5.24
1
1580
142
ALA
H
5.29
1
5483
74
ALA
H
5.464
1
15491
61
ALA
H
5.533
1
7265
18
ALA
H
5.609
1
5596
44
ALA
H
5.617
1
6783
80
ALA
H
5.72
1
7264
18
ALA
H
5.772
1
4836
186
ALA
H
5.79
1
3322
5
ALA
H
5.8
1
7285
5
ALA
H
5.8
1
7286
65
ALA
H
5.83
1
6628
247
ALA
H
5.857
1
7264
92
ALA
H
5.874
1
5298
80
ALA
H
5.89
1
7265
92
ALA
H
5.915
1
6640
22
ALA
H
5.93
1
5552
96
ALA
H
5.97
1
5000
92
ALA
H
5.97
1
6495
59
ALA
H
6
1
6494
59
ALA
H
6.01
1
15280
33
ALA
H
6.047
1
7308
118
ALA
H
6.11
1
4987
112
ALA
H
6.12
1
4987
63
ALA
H
6.12
1
7307
118
ALA
H
6.21
1
1663
69
ALA
H
6.22
1
4986
63
ALA
H
6.24
1
15128
119
ALA
H
6.259
1
7070
57
ALA
H
6.283
1
5334
52
ALA
H
6.285
1
7063
48
ALA
H
6.317
1
6956
94
ALA
H
6.318
1
6922
61
ALA
H
6.321
1
5936
29
ALA
H
6.36
1
6183
209
ALA
H
6.361
1