GLU CA Chemical Shift Outliers

___________________________________________________
GLU CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
72803
57.331
1.056
360.826
3.344


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25442
7
GLU
CA
356.365
.
25442
40
GLU
CA
356.784
.
25442
37
GLU
CA
357.358
.
25442
29
GLU
CA
359.963
.
25442
28
GLU
CA
360.826
.
15882
31
GLU
CA
67.39
1
4232
88
GLU
CA
67.75
1
19852
113
GLU
CA
69.219
1
19854
113
GLU
CA
69.219
1
25554
113
GLU
CA
69.219
1
4232
64
GLU
CA
69.64
1
4232
76
GLU
CA
69.81
1
4232
63
GLU
CA
69.89
1
4232
57
GLU
CA
69.9
1
4232
9
GLU
CA
69.91
1
4232
77
GLU
CA
69.92
1
4232
67
GLU
CA
70.25
1
34040
1
GLU
CA
70.384
1
4232
21
GLU
CA
70.59
1
4232
16
GLU
CA
70.99
1
4232
17
GLU
CA
71.12
1
4232
56
GLU
CA
71.52
1
25554
158
GLU
CA
72.147
1
19854
158
GLU
CA
72.147
1
19852
158
GLU
CA
72.147
1
25554
175
GLU
CA
76.247
1
19854
175
GLU
CA
76.247
1
19852
175
GLU
CA
76.247
1
4214
26
GLU
CA
82.045
.
4214
83
GLU
CA
82.045
.
15877
15
GLU
CA
87.152
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
25681
35
GLU
CA
1.056
.
25681
31
GLU
CA
1.155
.
25679
31
GLU
CA
1.498
.
25679
35
GLU
CA
1.78
.
25679
27
GLU
CA
1.924
.
11037
63
GLU
CA
21.289
1
11035
63
GLU
CA
21.512
1
26552
52
GLU
CA
25.9883
.
34022
27
GLU
CA
25.9883
.
34022
1
GLU
CA
26.0763
.
26552
26
GLU
CA
26.0763
.
26552
77
GLU
CA
26.3393
.
34022
52
GLU
CA
26.3393
.
34022
41
GLU
CA
26.7823
.
26552
66
GLU
CA
26.7823
.
34022
74
GLU
CA
27.4343
.
26552
99
GLU
CA
27.4343
.
5805
50
GLU
CA
28.8
1
18495
98
GLU
CA
3.77
1
18951
46
GLU
CA
32.245
1
18951
38
GLU
CA
33.094
1
15874
22
GLU
CA
39.044
1
15873
22
GLU
CA
39.044
1
15873
30
GLU
CA
39.629
1
15874
30
GLU
CA
39.629
1
15873
39
GLU
CA
40.14
1
15874
39
GLU
CA
40.14
1
15873
48
GLU
CA
40.418
1
15874
48
GLU
CA
40.418
1
15874
36
GLU
CA
41.388
1
15873
36
GLU
CA
41.388
1
30437
41
GLU
CA
41.955
.
6697
65
GLU
CA
43.4
1
6141
134
GLU
CA
44.348
1
15130
20
GLU
CA
44.963
1
15548
62
GLU
CA
44.97
1
17640
144
GLU
CA
45.166
1
5076
60
GLU
CA
45.46
1
19063
27
GLU
CA
46.212
.
4431
71
GLU
CA
46.8
1
4431
86
GLU
CA
46.8
1
27198
8
GLU
CA
47.161
1