ALA CA Chemical Shift Outliers

___________________________________________________
ALA CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
55121
53.182
39.922
68.494
1.950


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
27425
174
ALA
CA
59.21
1
30211
10
ALA
CA
59.213
.
27300
153
ALA
CA
59.305
.
4902
68
ALA
CA
59.51
1
30211
18
ALA
CA
59.579
.
27210
12
ALA
CA
59.59
1
6878
28
ALA
CA
59.6
.
17471
175
ALA
CA
59.665
1
6812
62
ALA
CA
59.78
1
25573
12
ALA
CA
59.7987
1
27631
49
ALA
CA
59.954
.
19224
278
ALA
CA
60.04
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
7280
36
ALA
CA
61.79
1
27631
153
ALA
CA
61.843
.
6433
64
ALA
CA
62.06
1
25761
17
ALA
CA
62.36
.
27631
69
ALA
CA
62.817
.
25572
130
ALA
CA
62.836
1
27631
139
ALA
CA
62.853
.
27631
158
ALA
CA
63.167
.
27631
149
ALA
CA
63.181
.
27631
136
ALA
CA
63.211
.
27631
211
ALA
CA
63.247
.
4097
21
ALA
CA
63.5
1
27631
41
ALA
CA
63.532
.
16750
77
ALA
CA
63.54
1
16750
77
ALA
CA
63.55
1
16750
77
ALA
CA
63.56
1
16750
77
ALA
CA
63.56
1
16750
77
ALA
CA
63.61
1
16750
77
ALA
CA
63.62
1
27631
140
ALA
CA
63.991
.
27631
236
ALA
CA
64.233
.
27631
90
ALA
CA
64.64
.
27631
193
ALA
CA
64.804
.
6878
26
ALA
CA
65.33
.
5997
101
ALA
CA
65.516
1
27631
125
ALA
CA
66.053
.
27631
40
ALA
CA
66.132
.
27631
150
ALA
CA
66.348
.
27631
117
ALA
CA
66.815
.
27631
246
ALA
CA
66.903
.
27631
205
ALA
CA
66.934
.
26716
24
ALA
CA
67.022
1
27631
245
ALA
CA
67.103
.
27631
199
ALA
CA
67.178
.
27631
135
ALA
CA
67.28
.
27631
184
ALA
CA
67.762
.
27631
24
ALA
CA
68.494
.


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
19063
99
ALA
CA
39.922
.
19063
46
ALA
CA
41.235
.
25453
26
ALA
CA
41.722
1
19063
93
ALA
CA
42.064
.
19616
203
ALA
CA
42.855
1
19063
36
ALA
CA
43.723
.
19063
53
ALA
CA
44
.
19063
71
ALA
CA
44.069
.
4901
109
ALA
CA
44.22
1
19063
74
ALA
CA
44.414
.
26793
67
ALA
CA
44.6
1
16984
64
ALA
CA
44.784
1
19063
38
ALA
CA
45.244
.
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
26792
28
ALA
CA
46
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
27122
106
ALA
CA
46.279
.
18081
45
ALA
CA
46.283
1
27859
258
ALA
CA
46.3
.
17782
177
ALA
CA
46.317
1
18708
89
ALA
CA
46.369
1
18509
89
ALA
CA
46.369
1
26792
57
ALA
CA
46.4
1
26793
13
ALA
CA
46.4
1
6193
94
ALA
CA
46.467
1
17477
99
ALA
CA
46.497
1
26851
180
ALA
CA
46.531
1
30375
227
ALA
CA
46.535
.
17707
92
ALA
CA
46.535
1
30375
150
ALA
CA
46.535
.
16713
48
ALA
CA
46.586
1
15820
91
ALA
CA
46.605
.
30290
59
ALA
CA
46.639
.
27089
34
ALA
CA
46.665
1
6080
101
ALA
CA
46.678
1
26848
180
ALA
CA
46.679
1
25792
75
ALA
CA
46.68
.
18373
21
ALA
CA
46.683
1
6080
74
ALA
CA
46.685
1
26792
51
ALA
CA
46.7
1
16205
82
ALA
CA
46.708
1
17706
92
ALA
CA
46.72
1
5514
163
ALA
CA
46.74
1
18708
152
ALA
CA
46.772
1
18509
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
36185
70
ALA
CA
46.791
.
4863
21
ALA
CA
46.8
1
5998
113
ALA
CA
46.8
1
15046
85
ALA
CA
46.81
1
16712
48
ALA
CA
46.811
1
30375
58
ALA
CA
46.839
.
17806
34
ALA
CA
46.843
1
27499
65
ALA
CA
46.845
1
25924
46
ALA
CA
46.865
.
4978
37
ALA
CA
46.87
1
16204
82
ALA
CA
46.873
1
25481
6
ALA
CA
46.88
1
19807
90
ALA
CA
46.881
1
30518
31
ALA
CA
46.89
1
4127
32
ALA
CA
46.9
1
15120
53
ALA
CA
46.9
.
6986
118
ALA
CA
46.9
1
5547
196
ALA
CA
46.9
1
26792
67
ALA
CA
46.9
1
15200
8
ALA
CA
46.9
1
18509
95
ALA
CA
46.914
1
18708
95
ALA
CA
46.914
1
26851
188
ALA
CA
46.953
1
17806
72
ALA
CA
46.988
1
26619
46
ALA
CA
46.992
.
25752
87
ALA
CA
47
1
11018
53
ALA
CA
47
1
6972
34
ALA
CA
47
1
27834
90
ALA
CA
47.012
1
6073
128
ALA
CA
47.03
.
26848
188
ALA
CA
47.03
1
5752
144
ALA
CA
47.033
1
18796
10
ALA
CA
47.04
1
26851
222
ALA
CA
47.045
1
19792
54
ALA
CA
47.049
.
26848
222
ALA
CA
47.064
1
27246
74
ALA
CA
47.066
.
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
19807
54
ALA
CA
47.138
1
25701
87
ALA
CA
47.14
1
19560
54
ALA
CA
47.15
1
1642
23
ALA
CA
47.15
1
18905
70
ALA
CA
47.155
.
27338
52
ALA
CA
47.159
1
17705
92
ALA
CA
47.169
1
16114
14
ALA
CA
47.183
1
17799
56
ALA
CA
47.183
1
5547
247
ALA
CA
47.2
1
17799
94
ALA
CA
47.206
1
30290
88
ALA
CA
47.208
.
36185
81
ALA
CA
47.214
.
19776
59
ALA
CA
47.22
.
16984
275
ALA
CA
47.224
1
26985
143
ALA
CA
47.23
.
26985
72
ALA
CA
47.23
.
16205
158
ALA
CA
47.256
1
17704
14
ALA
CA
47.26
1
5886
355
ALA
CA
47.28
1
5514
206
ALA
CA
47.29
1
19601
46
ALA
CA
47.3
1
5888
91
ALA
CA
47.3
1
25004
16
ALA
CA
47.3
.
27055
50
ALA
CA
47.3
.
16982
66
ALA
CA
47.305
1
19777
59
ALA
CA
47.309
.
36185
44
ALA
CA
47.315
.
7241
8
ALA
CA
47.32
1