PRO CA Chemical Shift Outliers

___________________________________________________
PRO CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
18984
63.360
50.12
70.67
1.511


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6922
20
PRO
CA
67.95
1
11061
143
PRO
CA
67.957
1
6705
27
PRO
CA
67.969
.
15077
52
PRO
CA
68.03
1
15078
52
PRO
CA
68.03
1
4735
151
PRO
CA
68.1
1
6353
26
PRO
CA
68.2
1
16033
4
PRO
CA
68.211
1
10024
14
PRO
CA
68.3
1
7072
39
PRO
CA
68.535
1
17653
60
PRO
CA
68.54
1
18242
56
PRO
CA
68.546
1
18204
21
PRO
CA
68.622
1
6047
104
PRO
CA
68.9
1
4848
234
PRO
CA
70.67
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4217
68
PRO
CA
50.12
1
5754
30
PRO
CA
52.255
1
15820
57
PRO
CA
52.47
.
4514
39
PRO
CA
53.38
.
5175
38
PRO
CA
53.55
1
4381
86
PRO
CA
53.626
1
7325
5
PRO
CA
53.661
.
5507
103
PRO
CA
54.006
1
5797
37
PRO
CA
54.2
1
7286
35
PRO
CA
54.539
1
16549
10
PRO
CA
54.557
1
15531
52
PRO
CA
54.623
.
16472
128
PRO
CA
54.799
1
4514
4
PRO
CA
54.86
.
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
17940
224
PRO
CA
55.631
1
10052
71
PRO
CA
55.669
1
5507
114
PRO
CA
55.688
1
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
4902
3
PRO
CA
56.25
1
5062
44
PRO
CA
56.25
1
5062
148
PRO
CA
56.25
1
16044
194
PRO
CA
56.285
1
10095
89
PRO
CA
56.344
1
5599
109
PRO
CA
56.481
1
16884
9
PRO
CA
56.7
1
6356
63
PRO
CA
56.808
.
18760
164
PRO
CA
56.831
.
6093
70
PRO
CA
56.844
1
2208
4
PRO
CA
56.9
1
5062
105
PRO
CA
56.91
1
6234
29
PRO
CA
56.959
1
16884
20
PRO
CA
57.2
1
15770
82
PRO
CA
57.2
1
15609
17
PRO
CA
57.3
1
5504
11
PRO
CA
57.323
.
7019
109
PRO
CA
57.356
1
5059
64
PRO
CA
57.383
1
6468
268
PRO
CA
57.464
1
4902
95
PRO
CA
57.49
1
17799
114
PRO
CA
57.494
1
5508
103
PRO
CA
57.5
1
17736
88
PRO
CA
57.5
1
15746
77
PRO
CA
57.52
1
4979
32
PRO
CA
57.7
1
6058
87
PRO
CA
57.8
1
16884
96
PRO
CA
57.8
1
5931
115
PRO
CA
57.821
1
10260
103
PRO
CA
57.843
1
5752
40
PRO
CA
57.862
1
17804
367
PRO
CA
58.024
1
17804
367
PRO
CA
58.049
1
15130
49
PRO
CA
58.124
1
4698
69
PRO
CA
58.167
1
5288
52
PRO
CA
58.2
1
15130
53
PRO
CA
58.239
1
16940
202
PRO
CA
58.28
1
5797
25
PRO
CA
58.3
1
7307
55
PRO
CA
58.3
1
19203
3
PRO
CA
58.309
1
17974
32
PRO
CA
58.335
1
15578
261
PRO
CA
58.349
1
5752
54
PRO
CA
58.363
1
15578
311
PRO
CA
58.367
1
17707
40
PRO
CA
58.394
1
17777
52
PRO
CA
58.397
1
6055
148
PRO
CA
58.41
1
5594
10
PRO
CA
58.47
1
6093
42
PRO
CA
58.48
1
7307
14
PRO
CA
58.5
1
5547
183
PRO
CA
58.5
1
16536
39
PRO
CA
58.5
1
5254
12
PRO
CA
58.57
1
17707
41
PRO
CA
58.572
1
11222
63
PRO
CA
58.612
1
16902
29
PRO
CA
58.626
1
17443
68
PRO
CA
58.664
1
16984
67
PRO
CA
58.72
1
11181
21
PRO
CA
58.727
1
16279
198
PRO
CA
58.76
1
10240
65
PRO
CA
58.764
1
7360
99
PRO
CA
58.787
1
5104
46
PRO
CA
58.8
1
19203
9
PRO
CA
58.8
1
15120
134
PRO
CA
58.8
.
18471
48
PRO
CA
58.816
1