PRO CB Chemical Shift Outliers

___________________________________________________
PRO CB Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
24158
31.877
6.11
81.08
1.776


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
5062
1
PRO
CB
37.23
1
5696
12
PRO
CB
37.3
1
16549
10
PRO
CB
37.401
1
10058
72
PRO
CB
37.425
1
15440
88
PRO
CB
37.446
1
17320
14
PRO
CB
37.489
1
5505
38
PRO
CB
37.5
1
5462
110
PRO
CB
37.6
1
5736
68
PRO
CB
37.61
.
18485
72
PRO
CB
37.656
1
4514
39
PRO
CB
37.73
.
17327
184
PRO
CB
37.863
1
17640
15
PRO
CB
37.895
1
15162
92
PRO
CB
38.17
1
18046
68
PRO
CB
38.36
1
16729
125
PRO
CB
38.377
1
5032
107
PRO
CB
38.4
1
19046
73
PRO
CB
38.518
1
7325
5
PRO
CB
38.786
.
6051
110
PRO
CB
39.082
1
6446
24
PRO
CB
39.183
1
5402
58
PRO
CB
39.52
1
15820
57
PRO
CB
39.634
.
5062
105
PRO
CB
39.83
1
16925
78
PRO
CB
39.84
1
16729
112
PRO
CB
40.655
1
7286
35
PRO
CB
41.187
1
4897
141
PRO
CB
41.5
1
16729
241
PRO
CB
41.653
1
15016
20
PRO
CB
41.686
.
4232
53
PRO
CB
42.43
1
16472
128
PRO
CB
42.752
1
4313
135
PRO
CB
43
1
5062
183
PRO
CB
43.11
1
5062
79
PRO
CB
43.11
1
17626
48
PRO
CB
43.49
1
17838
131
PRO
CB
43.56
1
5797
25
PRO
CB
43.7
1
17540
5
PRO
CB
44.125
1
16141
2
PRO
CB
45.16
.
6528
35
PRO
CB
50.25
1
4356
9
PRO
CB
56.76
1
4356
113
PRO
CB
56.76
1
16729
274
PRO
CB
62.021
1
16068
40
PRO
CB
62.215
1
6629
5
PRO
CB
62.3
1
16068
55
PRO
CB
62.325
1
16068
87
PRO
CB
62.414
1
4726
39
PRO
CB
62.6
.
17626
57
PRO
CB
63.17
1
16068
63
PRO
CB
63.642
1
7302
71
PRO
CB
63.734
1
4150
8
PRO
CB
69.478
.
15473
70
PRO
CB
70
1
4150
6
PRO
CB
71.365
.
4150
57
PRO
CB
71.587
.
4150
58
PRO
CB
71.934
.
4150
9
PRO
CB
72.276
.
4150
31
PRO
CB
72.495
.
4150
75
PRO
CB
73.269
.
5179
28
PRO
CB
77.68
.
5179
27
PRO
CB
78.08
.
5179
70
PRO
CB
78.28
.
5179
40
PRO
CB
79.08
.
5179
29
PRO
CB
79.38
.
5179
76
PRO
CB
79.88
.
5179
14
PRO
CB
80.18
.
5179
26
PRO
CB
81.08
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17443
67
PRO
CB
23.334
1
17660
146
PRO
CB
23.822
1
15785
48
PRO
CB
24.08
.
17529
37
PRO
CB
24.381
1
16709
3
PRO
CB
24.549
1
15578
134
PRO
CB
24.689
1
16205
104
PRO
CB
24.982
1
16204
104
PRO
CB
25.155
1
11086
99
PRO
CB
25.168
1
17806
92
PRO
CB
25.241
1
16884
34
PRO
CB
25.4
1
6645
22
PRO
CB
25.44
1
5305
90
PRO
CB
25.483
1
5182
89
PRO
CB
25.54
1
17529
18
PRO
CB
25.737
1
16923
11
PRO
CB
25.87
1
4313
139
PRO
CB
25.9
9
17529
10
PRO
CB
25.92
1
16205
12
PRO
CB
25.996
1
16884
96
PRO
CB
26
1
17456
78
PRO
CB
26.119
1
16592
29
PRO
CB
26.144
1
17471
227
PRO
CB
26.157
1
4829
5
PRO
CB
26.167
1
17090
58
PRO
CB
26.197
1
16204
12
PRO
CB
26.237
1
16923
10
PRO
CB
26.245
1
11132
35
PRO
CB
26.266
1
4786
59
PRO
CB
26.3
1
11117
62
PRO
CB
26.315
1
4821
88
PRO
CB
26.321
1
17327
73
PRO
CB
26.334
1
16272
53
PRO
CB
26.362
1
16283
53
PRO
CB
26.362
1
6344
92
PRO
CB
26.4
1
11146
60
PRO
CB
26.536
1
17404
84
PRO
CB
6.11
1