VAL CA Chemical Shift Outliers

___________________________________________________
VAL CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
50008
62.546
44.98
70.336
2.844


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15548
59
VAL
CA
44.98
1
25930
25
VAL
CA
46.871
1
19063
21
VAL
CA
49.184
.
7136
109
VAL
CA
50.16
.
19063
63
VAL
CA
50.981
.
16946
113
VAL
CA
51.455
1
27631
76
VAL
CA
51.557
.
27631
152
VAL
CA
51.768
.
6586
86
VAL
CA
51.858
1
19063
19
VAL
CA
51.879
.
27631
67
VAL
CA
51.962
.
27425
142
VAL
CA
52.05
1
19443
34
VAL
CA
52.126
.
27631
165
VAL
CA
52.133
.
27122
144
VAL
CA
52.192
.
4956
132
VAL
CA
52.2
1
5764
104
VAL
CA
52.472
1
5514
55
VAL
CA
52.59
1
19443
22
VAL
CA
52.61
.
16310
90
VAL
CA
52.64
1
19443
127
VAL
CA
52.646
.
27089
40
VAL
CA
52.648
1
15623
148
VAL
CA
52.65
1
27497
44
VAL
CA
52.7
1
19063
48
VAL
CA
52.709
.
7003
3
VAL
CA
52.822
1
5511
182
VAL
CA
52.96
1
27122
122
VAL
CA
53.328
.
27078
102
VAL
CA
53.35
1
6586
49
VAL
CA
53.702
1
4839
27
VAL
CA
53.76
1
25674
44
VAL
CA
53.83
1
25701
199
VAL
CA
53.86
1
19063
49
VAL
CA
53.884
.
27640
57
VAL
CA
53.896
1
6187
33
VAL
CA
53.97
1