PRO CA Chemical Shift Outliers

___________________________________________________
PRO CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
29390
63.343
48.557
72.28
1.515


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
25422
71
PRO
CA
67.965
1
6705
27
PRO
CA
67.969
.
15077
52
PRO
CA
68.03
1
15078
52
PRO
CA
68.03
1
19320
67
PRO
CA
68.031
1
34334
53
PRO
CA
68.06
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
11582
7
PRO
CA
68.323
1
30412
6
PRO
CA
68.479
1
17653
60
PRO
CA
68.54
1
18242
56
PRO
CA
68.546
1
18204
21
PRO
CA
68.622
1
19875
50
PRO
CA
68.629
.
19156
70
PRO
CA
68.712
1
6047
104
PRO
CA
68.9
1
26889
49
PRO
CA
69.42
1
4848
234
PRO
CA
70.67
.
6528
35
PRO
CA
72.28
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25972
38
PRO
CA
48.557
.
4217
68
PRO
CA
50.12
1
25836
3
PRO
CA
51.149
.
5663
51
PRO
CA
52.11
.
19063
98
PRO
CA
52.156
.
27631
57
PRO
CA
52.199
.
5754
30
PRO
CA
52.255
1
15820
57
PRO
CA
52.47
.
19955
123
PRO
CA
52.798
1
19063
100
PRO
CA
52.847
.
12009
69
PRO
CA
53.092
1
4514
39
PRO
CA
53.38
.
27631
267
PRO
CA
53.396
.
25763
2
PRO
CA
53.5
1
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
27631
20
PRO
CA
54.431
.
7286
35
PRO
CA
54.539
1
16549
10
PRO
CA
54.557
1
15960
127
PRO
CA
54.56
.
27631
269
PRO
CA
54.564
.
15531
52
PRO
CA
54.623
.
26985
87
PRO
CA
54.71
.
19063
39
PRO
CA
54.782
.
16472
128
PRO
CA
54.799
1
4514
4
PRO
CA
54.86
.
34078
58
PRO
CA
54.943
1
19063
26
PRO
CA
55.197
.
5840
20
PRO
CA
55.2
1
5062
81
PRO
CA
55.33
1
5062
185
PRO
CA
55.33
1
19134
110
PRO
CA
55.39
1
4997
27
PRO
CA
55.44
1
26806
95
PRO
CA
55.45
1
25460
33
PRO
CA
55.52
1
27631
210
PRO
CA
55.533
.
27078
221
PRO
CA
55.55
1
27631
185
PRO
CA
55.57
.
17704
47
PRO
CA
55.573
1
17940
224
PRO
CA
55.631
1
10052
71
PRO
CA
55.669
1
5507
114
PRO
CA
55.688
1
25930
13
PRO
CA
55.764
1
25930
15
PRO
CA
55.801
1
25956
30
PRO
CA
55.86
1
19225
12
PRO
CA
55.902
1
7256
93
PRO
CA
56
1
30469
49
PRO
CA
56.05
.
19034
16
PRO
CA
56.106
1
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
148
PRO
CA
56.25
1
5062
44
PRO
CA
56.25
1
27631
250
PRO
CA
56.254
.
16044
194
PRO
CA
56.285
1
27078
149
PRO
CA
56.3
1
19223
193
PRO
CA
56.305
1
30397
61
PRO
CA
56.315
1
10095
89
PRO
CA
56.344
1
25356
164
PRO
CA
56.379
1
6539
24
PRO
CA
56.467
1
5599
109
PRO
CA
56.481
1
27631
235
PRO
CA
56.514
.
25375
193
PRO
CA
56.567
.
26836
193
PRO
CA
56.601
1
25836
37
PRO
CA
56.645
.
26832
193
PRO
CA
56.693
1
16884
9
PRO
CA
56.7
1
26814
193
PRO
CA
56.727
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
19223
185
PRO
CA
56.926
1
6234
29
PRO
CA
56.959
1
16748
120
PRO
CA
57.123
1
26792
8
PRO
CA
57.2
1
15770
82
PRO
CA
57.2
1
16884
20
PRO
CA
57.2
1
25830
26
PRO
CA
57.292
1
15609
17
PRO
CA
57.3
1
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
19403
20
PRO
CA
57.71
.
26751
10
PRO
CA
57.7111
1
6058
87
PRO
CA
57.8
1
16884
96
PRO
CA
57.8
1
27576
102
PRO
CA
57.812
.
10260
103
PRO
CA
57.843
1
19915
24
PRO
CA
57.854
.
5752
40
PRO
CA
57.862
1
26792
89
PRO
CA
57.9
1
19641
58
PRO
CA
57.9
1
15813
50
PRO
CA
57.967
1
26756
3
PRO
CA
57.989
.
17804
367
PRO
CA
58.024
1
17804
367
PRO
CA
58.049
1
19671
58
PRO
CA
58.1
1
7308
55
PRO
CA
58.1
1
11214
64
PRO
CA
58.12
1
15130
49
PRO
CA
58.124
1
4698
69
PRO
CA
58.167
1
5288
52
PRO
CA
58.2
1
11490
38
PRO
CA
58.218
1
15130
53
PRO
CA
58.239
1
16940
202
PRO
CA
58.28
1
5797
25
PRO
CA
58.3
1
19601
24
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
16750
72
PRO
CA
58.36
1
5752
54
PRO
CA
58.363
1
16750
72
PRO
CA
58.37
1
16750
72
PRO
CA
58.38
1
17707
40
PRO
CA
58.394
1
17777
52
PRO
CA
58.397
1
16750
72
PRO
CA
58.4
1
6055
148
PRO
CA
58.41
1
16750
72
PRO
CA
58.42
1
15548
79
PRO
CA
58.43
1
16750
72
PRO
CA
58.44
1
5594
10
PRO
CA
58.47
1
6093
42
PRO
CA
58.48
1
16536
39
PRO
CA
58.5
1
7308
14
PRO
CA
58.5
1
25830
27
PRO
CA
58.5
1
5547
183
PRO
CA
58.5
1
36083
2
PRO
CA
58.5
1
26647
29
PRO
CA
58.5
1
7307
14
PRO
CA
58.5
1
26721
65
PRO
CA
58.504
.
27691
11
PRO
CA
58.506
1
27078
149
PRO
CA
58.55
1
5254
12
PRO
CA
58.57
1
17707
41
PRO
CA
58.572
1
27859
215
PRO
CA
58.6
.
27859
195
PRO
CA
58.6
.
27508
98
PRO
CA
58.61
.
11222
63
PRO
CA
58.612
1
16902
29
PRO
CA
58.626
1
17443
68
PRO
CA
58.664
1
27585
22
PRO
CA
58.666
1
27246
41
PRO
CA
58.668
.
27859
247
PRO
CA
58.7
.
11147
87
PRO
CA
58.716
1
16984
67
PRO
CA
58.72
1
27863
4
PRO
CA
58.723
1
11147
105
PRO
CA
58.724
1
11181
21
PRO
CA
58.727
1
27392
284
PRO
CA
58.738
1
27584
20
PRO
CA
58.749
1
25375
306
PRO
CA
58.759
.
16279
198
PRO
CA
58.76
1
10240
65
PRO
CA
58.764
1
25355
238
PRO
CA
58.764
1
7360
99
PRO
CA
58.787
1