VAL N Chemical Shift Outliers

___________________________________________________
VAL N Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
69706
121.154
.2
529
7.538


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15877
16
VAL
N
146.718
1
6697
61
VAL
N
153.202
1
5877
2
VAL
N
164.1
.
19867
50
VAL
N
171.3
.
15602
94
VAL
N
174.7
1
5815
29
VAL
N
185.3
1
5877
27
VAL
N
191
.
5815
33
VAL
N
193.2
1
5877
8
VAL
N
203.1
.
5877
31
VAL
N
205.2
.
5815
31
VAL
N
210
1
19867
34
VAL
N
211.5
.
5877
35
VAL
N
215
.
5815
30
VAL
N
217
1
19867
31
VAL
N
221.3
.
4066
44
VAL
N
228.4
1
6661
44
VAL
N
243
1
6664
44
VAL
N
248
1
6670
44
VAL
N
256
1
6669
44
VAL
N
256
1
4137
44
VAL
N
256.4
1
4137
44
VAL
N
262.8
1
6668
44
VAL
N
267
1
6662
44
VAL
N
270
1
6663
44
VAL
N
327
1
4066
44
VAL
N
336.6
1
6667
44
VAL
N
343
1
6659
44
VAL
N
346
1
6660
44
VAL
N
368
1
25442
21
VAL
N
422.053
.
6674
8
VAL
N
450
1
6677
8
VAL
N
451
1
4137
8
VAL
N
465.2
1
4137
8
VAL
N
477.7
1
6672
8
VAL
N
484
1
6678
8
VAL
N
493
1
4066
8
VAL
N
494.5
1
6673
8
VAL
N
497
1
4066
8
VAL
N
508.99
1
6676
8
VAL
N
511
1
6671
8
VAL
N
517
1
6659
8
VAL
N
525
1
6675
8
VAL
N
529
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
7016
33
VAL
N
.2
.
7016
46
VAL
N
.2
.
7016
61
VAL
N
.2
.
7016
16
VAL
N
.2
.
7016
67
VAL
N
.2
.
5684
73
VAL
N
16.77
1
7184
82
VAL
N
20.4
1
25176
63
VAL
N
41.088
.
19457
10
VAL
N
44.2
1
19456
10
VAL
N
44.6
1
19455
20
VAL
N
47.1
1
19454
12
VAL
N
47.6
1
25176
64
VAL
N
47.906
.
25176
40
VAL
N
48.205
.
19454
20
VAL
N
48.4
1
19455
12
VAL
N
49.4
1
25176
20
VAL
N
51.022
.
25176
6
VAL
N
51.951
.
19454
10
VAL
N
54
1
25176
60
VAL
N
54.21
.
25176
74
VAL
N
54.869
.
25176
87
VAL
N
55.133
.
19455
10
VAL
N
56
1
25176
90
VAL
N
57.869
.
25176
72
VAL
N
66.603
.
25176
88
VAL
N
68.795
.
5757
85
VAL
N
93.4
1
27844
83
VAL
N
93.758
.
19855
67
VAL
N
94.922
1
19855
66
VAL
N
95.117
1
19855
57
VAL
N
96.094
1
119
7
VAL
N
96.29
1
17231
105
VAL
N
97.22
1
27244
205
VAL
N
97.614
1
6748
43
VAL
N
97.95
.