ALA N Chemical Shift Outliers

___________________________________________________
ALA N Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
75972
123.331
.049
766
6.205


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4042
70
ALA
N
142.69
1
5514
110
ALA
N
142.81
1
6026
51
ALA
N
148.4
1
5304
23
ALA
N
155.14
1
5815
10
ALA
N
159.5
1
5877
11
ALA
N
162.8
.
5877
7
ALA
N
171
.
5815
25
ALA
N
175
1
5815
7
ALA
N
179.4
1
5877
29
ALA
N
181.8
.
19430
10
ALA
N
188
.
5815
35
ALA
N
192
1
5877
34
ALA
N
192.1
.
19430
24
ALA
N
197
.
5815
18
ALA
N
200
1
19867
78
ALA
N
200.8
.
5877
46
ALA
N
201.1
.
5815
49
ALA
N
205.4
1
5877
36
ALA
N
208.7
.
5877
21
ALA
N
210.2
.
5815
27
ALA
N
214.6
1
5815
16
ALA
N
217.9
1
5815
9
ALA
N
219.6
1
19867
76
ALA
N
220.9
.
19867
80
ALA
N
228.5
.
6672
44
ALA
N
386
1
25442
33
ALA
N
421.894
.
25442
11
ALA
N
422.649
.
25442
5
ALA
N
424.918
.
6661
8
ALA
N
482
1
6662
8
ALA
N
498
1
6664
8
ALA
N
547
1
6660
8
ALA
N
562
1
6671
44
ALA
N
626
1
6663
8
ALA
N
766
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
18132
72
ALA
N
.049
1
7016
72
ALA
N
.2
.
7016
27
ALA
N
.2
.
7016
13
ALA
N
.2
.
7016
53
ALA
N
.2
.
7016
28
ALA
N
.2
.
27664
46
ALA
N
100.082
.
5547
89
ALA
N
100.1
1
25973
46
ALA
N
100.596
.
18850
90
ALA
N
100.62
1
25972
46
ALA
N
101.024
.
17596
16
ALA
N
101.269
1
26745
111
ALA
N
101.4
1
27314
27
ALA
N
101.478
1
19622
51
ALA
N
102.132
.
16093
40
ALA
N
102.3
1
6685
213
ALA
N
103.117
1
19629
171
ALA
N
103.722
1
6111
105
ALA
N
104.07
1
19150
171
ALA
N
104.193
1
19857
15
ALA
N
104.219
1
16245
38
ALA
N
104.293
1
6362
59
ALA
N
104.488
1
7002
46
ALA
N
104.64
1
27573
84
ALA
N
104.649
1
4236
102
ALA
N
18.28
1
16327
1
ALA
N
39.5
.
1658
1
ALA
N
40.5
1
447
1
ALA
N
40.8
1
16254
1
ALA
N
41.7
1
1673
1
ALA
N
41.8
1
25176
31
ALA
N
47.762
.
25176
16
ALA
N
47.79
.
25176
33
ALA
N
50.066
.
25176
3
ALA
N
50.288
.
19457
12
ALA
N
51.4
1
25176
20
ALA
N
53.952
.
25176
8
ALA
N
54.002
.
25176
22
ALA
N
55.489
.
19456
12
ALA
N
55.6
1
25176
37
ALA
N
56.202
.
25176
13
ALA
N
57.03
.
25176
46
ALA
N
58.654
.
25176
27
ALA
N
58.822
.
25176
18
ALA
N
60.103
.
25176
61
ALA
N
60.103
.
25176
35
ALA
N
60.484
.
25176
39
ALA
N
62.569
.
25176
22
ALA
N
67.068
.
25176
91
ALA
N
67.766
.
6348
1
ALA
N
77.1
.
19855
15
ALA
N
91.016
1
6790
1
ALA
N
98.053
1
119
5
ALA
N
99.44
1
119
3
ALA
N
99.92
1