ALA CA Chemical Shift Outliers

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ALA CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
34669
53.198
44.22
65.516
1.964


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6380
106
ALA
CA
59.2
1
4902
68
ALA
CA
59.51
1
6878
28
ALA
CA
59.6
.
17471
175
ALA
CA
59.665
1
6812
62
ALA
CA
59.78
1
17143
77
ALA
CA
60.147
1
5511
146
ALA
CA
60.25
1
18228
97
ALA
CA
60.52
1
4259
15
ALA
CA
60.7
1
4486
4
ALA
CA
61.46
1
16919
102
ALA
CA
61.535
1
6433
64
ALA
CA
62.06
1
5219
260
ALA
CA
63
1
4097
21
ALA
CA
63.5
1
6878
26
ALA
CA
65.33
.
5997
101
ALA
CA
65.516
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4901
109
ALA
CA
44.22
1
16984
64
ALA
CA
44.784
1
17493
88
ALA
CA
45.305
1
6555
82
ALA
CA
45.36
1
16884
12
ALA
CA
45.4
1
6586
2
ALA
CA
45.491
1
15315
90
ALA
CA
45.532
1
6586
90
ALA
CA
45.555
1
6586
132
ALA
CA
45.555
1
5300
130
ALA
CA
45.8
1
16884
41
ALA
CA
45.9
1
6073
108
ALA
CA
45.95
.
6586
102
ALA
CA
45.98
1
5514
110
ALA
CA
46.04
1
17777
5
ALA
CA
46.141
1
18708
55
ALA
CA
46.155
1
18509
55
ALA
CA
46.155
1
5819
55
ALA
CA
46.2
1
16984
5
ALA
CA
46.216
1
17781
260
ALA
CA
46.253
1
18081
45
ALA
CA
46.283
1
17782
177
ALA
CA
46.317
1
18708
89
ALA
CA
46.369
1
18509
89
ALA
CA
46.369
1
6193
94
ALA
CA
46.467
1
17477
99
ALA
CA
46.497
1
17707
92
ALA
CA
46.535
1
16713
48
ALA
CA
46.586
1
15820
91
ALA
CA
46.605
.
6080
101
ALA
CA
46.678
1
18373
21
ALA
CA
46.683
1
6080
74
ALA
CA
46.685
1
16205
82
ALA
CA
46.708
1
17706
92
ALA
CA
46.72
1
5514
163
ALA
CA
46.74
1
18509
152
ALA
CA
46.772
1
18708
152
ALA
CA
46.772
1
18118
16
ALA
CA
46.775
1
11140
33
ALA
CA
46.778
1
5514
179
ALA
CA
46.79
1
5998
113
ALA
CA
46.8
1
4863
21
ALA
CA
46.8
1
15046
85
ALA
CA
46.81
1
16712
48
ALA
CA
46.811
1
18389
90
ALA
CA
46.821
1
17806
34
ALA
CA
46.843
1
4978
37
ALA
CA
46.87
1
16204
82
ALA
CA
46.873
1
15578
53
ALA
CA
46.873
1
6986
118
ALA
CA
46.9
1
15200
8
ALA
CA
46.9
1
5547
196
ALA
CA
46.9
1
15120
53
ALA
CA
46.9
.
18509
95
ALA
CA
46.914
1
18708
95
ALA
CA
46.914
1
11236
83
ALA
CA
46.974
1
17806
72
ALA
CA
46.988
1
11018
53
ALA
CA
47
1
6972
29
ALA
CA
47
1
6073
128
ALA
CA
47.03
.
5752
144
ALA
CA
47.033
1
18796
10
ALA
CA
47.04
1
5407
112
ALA
CA
47.073
.
10273
56
ALA
CA
47.088
1
7033
13
ALA
CA
47.099
1
4863
56
ALA
CA
47.1
1
17781
201
ALA
CA
47.123
1
1642
23
ALA
CA
47.15
1
18905
70
ALA
CA
47.155
.
17705
92
ALA
CA
47.169
1
17799
56
ALA
CA
47.183
1
16114
14
ALA
CA
47.183
1
5547
247
ALA
CA
47.2
1
17799
94
ALA
CA
47.206
1
16984
275
ALA
CA
47.224
1
16205
158
ALA
CA
47.256
1
5886
355
ALA
CA
47.28
1
5514
206
ALA
CA
47.29
1
5888
91
ALA
CA
47.3
1