PRO CA Chemical Shift Outliers

___________________________________________________
PRO CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
38201
63.327
0
363.087
3.720


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16068
63
PRO
CA
175.25
1
19335
54
PRO
CA
175.567
.
16068
87
PRO
CA
175.75
1
16068
55
PRO
CA
176.508
1
19335
38
PRO
CA
176.559
.
19335
19
PRO
CA
176.664
.
16068
40
PRO
CA
176.828
1
19335
21
PRO
CA
177.787
.
25442
6
PRO
CA
362.665
.
25442
14
PRO
CA
362.816
.
25442
4
PRO
CA
363.087
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25679
33
PRO
CA
.834
.
19055
76
PRO
CA
0
1
19055
89
PRO
CA
0
1
19055
72
PRO
CA
0
1
25681
33
PRO
CA
1.807
.
34042
130
PRO
CA
21.88
.
34042
94
PRO
CA
22.11
.
34042
12
PRO
CA
22.294
.
34042
109
PRO
CA
22.641
.
34042
132
PRO
CA
23.652
.
34042
35
PRO
CA
23.875
.
34042
18
PRO
CA
24.181
.
5041
72
PRO
CA
26.447
1
34022
108
PRO
CA
30.0513
.
26552
133
PRO
CA
30.0513
.
34022
40
PRO
CA
30.9663
.
26552
65
PRO
CA
30.9663
.
34022
35
PRO
CA
31.0843
.
26552
152
PRO
CA
31.0843
.
34022
127
PRO
CA
31.0843
.
26552
60
PRO
CA
31.0843
.
34022
114
PRO
CA
31.2603
.
26552
139
PRO
CA
31.2603
.
4726
39
PRO
CA
31.6
.
4385
32
PRO
CA
31.8
1
11562
8
PRO
CA
32.026
1
6793
29
PRO
CA
33.2
1
34022
93
PRO
CA
33.2913
.
26552
118
PRO
CA
33.2913
.
4385
35
PRO
CA
33.8
1
19716
18
PRO
CA
35.8773
1
18951
29
PRO
CA
37.125
1
18951
2
PRO
CA
37.135
1
6723
107
PRO
CA
37.529
.
7178
55
PRO
CA
37.6
1
6723
121
PRO
CA
39.359
.
6723
128
PRO
CA
39.908
.
18901
7
PRO
CA
4.186
.
6723
46
PRO
CA
40.365
.
6723
39
PRO
CA
40.494
.
16937
59
PRO
CA
41.343
1
16937
264
PRO
CA
41.414
1
16937
188
PRO
CA
42.083
1
15874
53
PRO
CA
43.181
1
15873
53
PRO
CA
43.181
1
15874
11
PRO
CA
43.576
1
15873
11
PRO
CA
43.576
1
15873
21
PRO
CA
43.649
1
15874
21
PRO
CA
43.649
1
15873
19
PRO
CA
43.719
1
15874
19
PRO
CA
43.719
1
11453
7
PRO
CA
44.669
1
27108
61
PRO
CA
44.794
.
16729
216
PRO
CA
44.854
1
15874
26
PRO
CA
44.876
1
15873
26
PRO
CA
44.876
1
16729
180
PRO
CA
45.676
1
19458
72
PRO
CA
46.8942
.
25972
38
PRO
CA
48.557
.
4217
68
PRO
CA
50.12
1
16592
29
PRO
CA
50.614
1
16337
8
PRO
CA
50.9
9
25836
3
PRO
CA
51.149
.
5663
51
PRO
CA
52.11
.
19063
98
PRO
CA
52.156
.