ALA CA Chemical Shift Outliers

___________________________________________________
ALA CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
16257
53.153
43
65.516
2.012


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6380
106
ALA
CA
59.2
1
4902
68
ALA
CA
59.51
1
6878
28
ALA
CA
59.6
.
6812
62
ALA
CA
59.78
1
5511
146
ALA
CA
60.25
1
4259
15
ALA
CA
60.7
1
6433
64
ALA
CA
62.06
1
5219
260
ALA
CA
63
1
4097
21
ALA
CA
63.5
1
6878
26
ALA
CA
65.33
.
5997
101
ALA
CA
65.516
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4431
81
ALA
CA
43
1
4901
109
ALA
CA
44.22
1
6555
82
ALA
CA
45.36
1
6586
2
ALA
CA
45.491
1
4431
7
ALA
CA
45.5
1
4431
10
ALA
CA
45.5
1
15315
90
ALA
CA
45.532
1
6586
132
ALA
CA
45.555
1
6586
90
ALA
CA
45.555
1
4431
74
ALA
CA
45.8
1
4431
141
ALA
CA
45.8
1
4431
21
ALA
CA
45.8
1
5300
130
ALA
CA
45.8
1
6073
108
ALA
CA
45.95
.
6586
102
ALA
CA
45.98
1
5514
110
ALA
CA
46.04
1
5819
55
ALA
CA
46.2
1
7083
41
ALA
CA
46.335
1
6193
94
ALA
CA
46.467
1
6080
101
ALA
CA
46.678
1
6080
74
ALA
CA
46.685
1
5514
163
ALA
CA
46.74
1
5514
179
ALA
CA
46.79
1
4863
21
ALA
CA
46.8
1
5998
113
ALA
CA
46.8
1
15046
85
ALA
CA
46.81
1
4978
37
ALA
CA
46.87
1
5547
196
ALA
CA
46.9
1
4478
70
ALA
CA
46.9
1
15200
8
ALA
CA
46.9
1
15120
53
ALA
CA
46.9
.
6986
118
ALA
CA
46.9
1
5742
38
ALA
CA
46.906
.
6972
29
ALA
CA
47
1
11018
53
ALA
CA
47
1
6073
128
ALA
CA
47.03
.
5752
144
ALA
CA
47.033
1
5407
112
ALA
CA
47.073
.
4863
56
ALA
CA
47.1
1