PRO CD Chemical Shift Outliers

___________________________________________________
PRO CD Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
23843
50.344
1.155
350.648
3.283


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25442
6
PRO
CD
350.145
.
25442
4
PRO
CD
350.648
.
1734
25
PRO
CD
61.5
1
19858
46
PRO
CD
64.547
1
6144
9
PRO
CD
66.221
1
4150
8
PRO
CD
89.499
.
4150
9
PRO
CD
89.795
.
4150
31
PRO
CD
90.027
.
5179
29
PRO
CD
96.78
.
5179
70
PRO
CD
96.88
.
5179
28
PRO
CD
97.58
.
5179
27
PRO
CD
98.08
.
5179
14
PRO
CD
98.18
.
5179
26
PRO
CD
98.28
.
5179
40
PRO
CD
98.38
.
5179
76
PRO
CD
98.58
.


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
CD
1.155
.
5631
37
PRO
CD
13.6
1
5631
55
PRO
CD
14
1
5631
21
PRO
CD
14.5
1
5631
40
PRO
CD
14.5
1
5631
62
PRO
CD
14.8
1
15084
24
PRO
CD
15
1
5631
52
PRO
CD
15.7
1
15084
36
PRO
CD
16.1
1
11175
126
PRO
CD
19.909
1
17103
54
PRO
CD
20.329
1
7121
122
PRO
CD
21.1
1
7178
66
PRO
CD
22
1
15129
15
PRO
CD
23.162
1
15083
24
PRO
CD
26.264
1
6723
108
PRO
CD
26.733
.
16068
55
PRO
CD
26.9
1
25240
96
PRO
CD
26.918
1
4912
52
PRO
CD
26.96
1
16068
87
PRO
CD
27
1
6723
128
PRO
CD
27.099
.
19114
6
PRO
CD
27.181
.
15873
53
PRO
CD
30.98
1
15874
53
PRO
CD
30.98
1
15873
21
PRO
CD
31.235
1
15874
21
PRO
CD
31.235
1
15873
19
PRO
CD
31.561
1
15874
19
PRO
CD
31.561
1
15874
26
PRO
CD
32.291
1
15873
26
PRO
CD
32.291
1
15874
11
PRO
CD
32.315
1
15873
11
PRO
CD
32.315
1
4202
62
PRO
CD
34
1
11495
117
PRO
CD
35.431
1
4078
112
PRO
CD
35.8
1
30133
119
PRO
CD
36.265
9
19087
107
PRO
CD
37.0759
1
16534
27
PRO
CD
37.34
1
4781
31
PRO
CD
4.987
1
5820
29
PRO
CD
40.046
.
6571
34
PRO
CD
40.133
1
4284
66
PRO
CD
40.442
1