GLU CA Chemical Shift Outliers

___________________________________________________
GLU CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
48453
57.335
3.77
87.152
2.180


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18526
147
GLU
CA
63.885
1
17848
61
GLU
CA
63.91
1
4911
35
GLU
CA
63.93
1
4931
35
GLU
CA
63.93
1
16361
68
GLU
CA
63.946
1
5827
61
GLU
CA
63.96
1
17579
106
GLU
CA
64.025
1
6987
151
GLU
CA
64.19
1
6148
60
GLU
CA
64.254
1
5736
101
GLU
CA
64.6
.
19145
55
GLU
CA
64.887
1
19144
55
GLU
CA
64.887
1
17822
13
GLU
CA
65.061
1
4232
41
GLU
CA
65.64
1
16729
299
GLU
CA
66.211
1
15091
135
GLU
CA
66.555
1
4215
46
GLU
CA
66.6
1
15388
40
GLU
CA
66.7
1
15882
31
GLU
CA
67.39
1
4232
88
GLU
CA
67.75
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
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
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
11037
63
GLU
CA
21.289
1
11035
63
GLU
CA
21.512
1
5805
50
GLU
CA
28.8
1
18495
98
GLU
CA
3.77
1
15380
42
GLU
CA
31.53
1
15873
22
GLU
CA
39.044
1
15874
22
GLU
CA
39.044
1
15873
30
GLU
CA
39.629
1
15874
30
GLU
CA
39.629
1
15874
39
GLU
CA
40.14
1
15873
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
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
4431
86
GLU
CA
46.8
1
4431
71
GLU
CA
46.8
1
17948
15
GLU
CA
48.017
1
4431
128
GLU
CA
48.3
1
4431
34
GLU
CA
48.6
1
4431
54
GLU
CA
49.2
1
4431
28
GLU
CA
49.2
1
6586
58
GLU
CA
49.309
1
19145
129
GLU
CA
49.325
1
15540
90
GLU
CA
49.41
1
17529
13
GLU
CA
49.419
1
15315
131
GLU
CA
49.573
1
16002
81
GLU
CA
49.6
1
15315
54
GLU
CA
49.669
1
5886
101
GLU
CA
49.69
1
18373
136
GLU
CA
49.704
1
15796
40
GLU
CA
49.793
1
5584
17
GLU
CA
49.8
1
6725
82
GLU
CA
49.84
1
11145
86
GLU
CA
49.888
1
5752
15
GLU
CA
49.938
1
5886
284
GLU
CA
49.97
1
17425
1
GLU
CA
50.1064
1
19033
58
GLU
CA
50.156
.
15796
73
GLU
CA
50.182
1
11001
58
GLU
CA
50.2
1
17782
28
GLU
CA
50.292
1
7359
24
GLU
CA
50.297
1
16884
7
GLU
CA
50.3
1
15912
67
GLU
CA
50.33
1
16809
65
GLU
CA
50.33
1
15912
67
GLU
CA
50.33
1
16809
65
GLU
CA
50.33
1
7360
24
GLU
CA
50.386
1
5584
75
GLU
CA
50.4
1
15120
97
GLU
CA
50.4
.
5514
32
GLU
CA
50.45
1
7414
61
GLU
CA
50.57
1
17781
30
GLU
CA
50.578
1
17660
234
GLU
CA
50.592
1
5222
63
GLU
CA
50.6
1
18245
4
GLU
CA
50.618
1
18246
4
GLU
CA
50.618
1
18905
16
GLU
CA
50.628
.
17529
35
GLU
CA
50.654
1
6586
59
GLU
CA
50.654
1
17443
115
GLU
CA
50.672
1
7241
6
GLU
CA
50.7
1
11142
94
GLU
CA
50.738
1
6911
40
GLU
CA
50.749
1
18373
29
GLU
CA
50.759
1
15315
60
GLU
CA
50.761
1
17806
5
GLU
CA
50.777
1