VAL CA Chemical Shift Outliers

___________________________________________________
VAL CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
43085
62.533
29.564
91.707
2.918


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4232
65
VAL
CA
73.95
1
4232
45
VAL
CA
77.12
1
4232
83
VAL
CA
78.44
1
15877
16
VAL
CA
91.707
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15873
58
VAL
CA
29.564
1
15874
58
VAL
CA
29.564
1
11035
64
VAL
CA
30.416
1
11037
64
VAL
CA
30.448
1
16937
228
VAL
CA
41.871
1
16937
23
VAL
CA
42.105
1
16937
152
VAL
CA
42.127
1
15873
24
VAL
CA
42.632
1
15874
24
VAL
CA
42.632
1
15083
16
VAL
CA
43
1
15548
59
VAL
CA
44.98
1
17626
56
VAL
CA
45.7
1
5263
57
VAL
CA
50.125
.
7136
109
VAL
CA
50.16
.
4431
38
VAL
CA
51.1
1
16946
113
VAL
CA
51.455
1
16115
57
VAL
CA
51.628
1
6586
86
VAL
CA
51.858
1
447
80
VAL
CA
52
1
19239
171
VAL
CA
52.046
1
18553
72
VAL
CA
52.105
1
19239
19
VAL
CA
52.166
1
4956
132
VAL
CA
52.2
1
16729
202
VAL
CA
52.268
1
6501
102
VAL
CA
52.4
1
5764
104
VAL
CA
52.472
1
5514
55
VAL
CA
52.59
1
16310
90
VAL
CA
52.64
1
15623
148
VAL
CA
52.65
1
16729
213
VAL
CA
52.682
1
4431
39
VAL
CA
52.7
1
7003
3
VAL
CA
52.822
1
17456
77
VAL
CA
52.958
1
5511
182
VAL
CA
52.96
1
4431
70
VAL
CA
53
1
4431
41
VAL
CA
53.3
1
4232
80
VAL
CA
53.51
1
4431
87
VAL
CA
53.6
1
4431
102
VAL
CA
53.6
1
6586
49
VAL
CA
53.702
1
4839
27
VAL
CA
53.76
1