VAL CA Chemical Shift Outliers

___________________________________________________
VAL CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
64783
62.494
20.668
362.057
3.217


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25442
21
VAL
CA
362.057
.
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
34042
88
VAL
CA
20.668
.
34042
44
VAL
CA
20.803
.
34042
101
VAL
CA
20.979
.
34042
75
VAL
CA
21.162
.
34042
105
VAL
CA
21.372
.
34042
100
VAL
CA
21.437
.
25394
42
VAL
CA
24.08885
1
26552
64
VAL
CA
26.8523
.
34022
39
VAL
CA
26.8523
.
34022
96
VAL
CA
26.9543
.
26552
121
VAL
CA
26.9543
.
34022
135
VAL
CA
27.3063
.
26552
160
VAL
CA
27.3063
.
34022
125
VAL
CA
28.1933
.
26552
150
VAL
CA
28.1933
.
26552
45
VAL
CA
28.2923
.
34022
20
VAL
CA
28.2923
.
34022
26
VAL
CA
28.8873
.
26552
51
VAL
CA
28.8873
.
26552
33
VAL
CA
29.0593
.
34022
8
VAL
CA
29.0593
.
19838
90
VAL
CA
29.266
1
15874
58
VAL
CA
29.564
1
15873
58
VAL
CA
29.564
1
34022
117
VAL
CA
29.7663
.
26552
142
VAL
CA
29.7663
.
11035
64
VAL
CA
30.416
1
11037
64
VAL
CA
30.448
1
26552
131
VAL
CA
30.6363
.
34022
106
VAL
CA
30.6363
.
26552
141
VAL
CA
31.6113
.
34022
116
VAL
CA
31.6113
.
34022
45
VAL
CA
31.9383
.
26552
70
VAL
CA
31.9383
.
26552
169
VAL
CA
33.4203
.
34022
144
VAL
CA
33.4203
.
19716
3
VAL
CA
33.8377
1
26552
97
VAL
CA
35.1263
.
34022
72
VAL
CA
35.1263
.
18951
6
VAL
CA
36.145
1
36136
44
VAL
CA
38.73
.
18951
39
VAL
CA
40.331
1
18951
23
VAL
CA
40.891
1
16937
228
VAL
CA
41.871
1
16937
23
VAL
CA
42.105
1
16937
152
VAL
CA
42.127
1
15874
24
VAL
CA
42.632
1
15873
24
VAL
CA
42.632
1
15083
16
VAL
CA
43
1
19458
93
VAL
CA
43.6151
.
15548
59
VAL
CA
44.98
1
17626
56
VAL
CA
45.7
1
25930
25
VAL
CA
46.871
1
30069
14
VAL
CA
48.8
1
19063
21
VAL
CA
49.184
.
5263
57
VAL
CA
50.125
.
7136
109
VAL
CA
50.16
.
27080
174
VAL
CA
50.24
1
27080
218
VAL
CA
50.774
1
19063
63
VAL
CA
50.981
.
4431
38
VAL
CA
51.1
1
16946
113
VAL
CA
51.455
1
27631
76
VAL
CA
51.557
.
16115
57
VAL
CA
51.628
1
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
.
447
80
VAL
CA
52
1
19239
171
VAL
CA
52.046
1
27425
142
VAL
CA
52.05
1
18553
72
VAL
CA
52.105
1
19443
34
VAL
CA
52.126
.
25379
34
VAL
CA
52.13
1
27631
165
VAL
CA
52.133
.
19239
19
VAL
CA
52.166
1
27121
144
VAL
CA
52.192
.
27122
144
VAL
CA
52.192
.
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
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
16729
213
VAL
CA
52.682
1
27497
44
VAL
CA
52.7
1
4431
39
VAL
CA
52.7
1
19063
48
VAL
CA
52.709
.
7003
3
VAL
CA
52.822
1