VAL C Chemical Shift Outliers

___________________________________________________
VAL C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
31286
175.634
1
185.044
2.401


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15949
12
VAL
C
182.976
.
15949
105
VAL
C
183.109
.
6679
54
VAL
C
183.205
1
17716
18
VAL
C
183.445
1
15949
46
VAL
C
183.549
.
16372
7
VAL
C
183.688
1
15949
48
VAL
C
183.839
.
15949
10
VAL
C
183.861
.
17853
28
VAL
C
183.949
1
15152
28
VAL
C
185.044
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
17404
83
VAL
C
1
1
6730
30
VAL
C
130.506
.
6730
64
VAL
C
130.584
.
6730
21
VAL
C
130.751
.
6730
22
VAL
C
131.077
.
6730
69
VAL
C
131.215
.
6730
10
VAL
C
131.529
.
6730
5
VAL
C
131.87
.
6730
94
VAL
C
133.296
.
7349
21
VAL
C
148.258
.
6586
40
VAL
C
165.654
1
16809
46
VAL
C
166.3
1
6904
6
VAL
C
167.12
1
16884
58
VAL
C
167.2
1
6903
6
VAL
C
167.419
1
6912
2
VAL
C
167.5
1
15796
37
VAL
C
167.519
1
7414
108
VAL
C
167.729
1
15578
280
VAL
C
167.743
1
6586
86
VAL
C
167.779
1
18509
5
VAL
C
167.836
1
18708
5
VAL
C
167.836
1
15680
121
VAL
C
167.922
1
16809
33
VAL
C
168.03
1
15728
32
VAL
C
44.775
1