PRO CA Chemical Shift Outliers

___________________________________________________
PRO CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
25563
63.324
4.186
176.828
2.256


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
16068
87
PRO
CA
175.75
1
16068
55
PRO
CA
176.508
1
16068
40
PRO
CA
176.828
1
4848
234
PRO
CA
70.67
.
6836
75
PRO
CA
70.88
.
6528
35
PRO
CA
72.28
1
4232
53
PRO
CA
73.44
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5041
72
PRO
CA
26.447
1
4726
39
PRO
CA
31.6
.
4385
32
PRO
CA
31.8
1
6793
29
PRO
CA
33.2
1
4385
35
PRO
CA
33.8
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
15873
11
PRO
CA
43.576
1
15874
11
PRO
CA
43.576
1
15874
21
PRO
CA
43.649
1
15873
21
PRO
CA
43.649
1
15873
19
PRO
CA
43.719
1
15874
19
PRO
CA
43.719
1
16729
216
PRO
CA
44.854
1
15873
26
PRO
CA
44.876
1
15874
26
PRO
CA
44.876
1
16729
180
PRO
CA
45.676
1
4217
68
PRO
CA
50.12
1
16592
29
PRO
CA
50.614
1
16337
8
PRO
CA
50.9
9
5663
51
PRO
CA
52.11
.
5754
30
PRO
CA
52.255
1
15820
57
PRO
CA
52.47
.
16787
36
PRO
CA
52.721
1
18321
101
PRO
CA
53.3122
1
18333
101
PRO
CA
53.3122
1
4514
39
PRO
CA
53.38
.
16804
112
PRO
CA
53.412
1
5175
38
PRO
CA
53.55
1
4381
86
PRO
CA
53.626
1
7325
5
PRO
CA
53.661
.
18321
201
PRO
CA
53.8931
1
18333
201
PRO
CA
53.8931
1
5507
103
PRO
CA
54.006
1
16729
241
PRO
CA
54.028
1
5797
37
PRO
CA
54.2
1
7286
35
PRO
CA
54.539
1
16549
10
PRO
CA
54.557
1
15960
127
PRO
CA
54.56
.
15531
52
PRO
CA
54.623
.
17678
34
PRO
CA
54.645
1
16472
128
PRO
CA
54.799
1
18730
131
PRO
CA
54.83
1
4514
4
PRO
CA
54.86
.
16804
132
PRO
CA
54.999
1
5840
20
PRO
CA
55.2
1
5062
81
PRO
CA
55.33
1
5062
185
PRO
CA
55.33
1
4997
27
PRO
CA
55.44
1
16729
112
PRO
CA
55.566
1
17940
224
PRO
CA
55.631
1
10052
71
PRO
CA
55.669
1
5507
114
PRO
CA
55.688
1
17640
41
PRO
CA
55.855
1
15949
76
PRO
CA
55.939
.
7256
93
PRO
CA
56
1
19034
16
PRO
CA
56.106
.
4394
82
PRO
CA
56.2
1
5062
1
PRO
CA
56.2
1
19095
102
PRO
CA
56.236
1
16729
66
PRO
CA
56.241
1
4902
3
PRO
CA
56.25
1
5062
44
PRO
CA
56.25
1
5062
148
PRO
CA
56.25
1
16729
67
PRO
CA
56.272
1
16044
194
PRO
CA
56.285
1
10095
89
PRO
CA
56.344
1
6539
24
PRO
CA
56.467
1
5599
109
PRO
CA
56.481
1
17640
155
PRO
CA
56.527
1