VAL C Chemical Shift Outliers

___________________________________________________
VAL C Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
23514
175.671
165.654
183.949
1.903


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
4496
16
VAL
C
181.4
1
5519
41
VAL
C
181.4
1
17685
94
VAL
C
181.424
1
5976
28
VAL
C
181.445
1
16319
2
VAL
C
181.462
1
6014
35
VAL
C
181.49
1
15706
143
VAL
C
181.518
1
16538
118
VAL
C
181.568
1
16542
118
VAL
C
181.578
1
6476
61
VAL
C
181.611
1
7059
147
VAL
C
181.625
1
5800
38
VAL
C
181.72
1
16979
30
VAL
C
181.754
1
15117
23
VAL
C
182.22
1
7122
132
VAL
C
182.3
1
6679
54
VAL
C
183.205
1
17716
18
VAL
C
183.445
1
16372
7
VAL
C
183.688
1
17853
28
VAL
C
183.949
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
6586
40
VAL
C
165.654
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
15578
280
VAL
C
167.743
1
6586
86
VAL
C
167.779
1
18708
5
VAL
C
167.836
1
18509
5
VAL
C
167.836
1
15680
121
VAL
C
167.922
1
19272
119
VAL
C
168.44
1
16884
85
VAL
C
168.6
1
15578
328
VAL
C
168.811
1
16984
236
VAL
C
168.828
1
5514
12
VAL
C
168.92
1
15722
68
VAL
C
169.061
1
15578
240
VAL
C
169.069
1
18389
57
VAL
C
169.082
1
5514
193
VAL
C
169.19
1
18000
172
VAL
C
169.2
1
16984
183
VAL
C
169.253
1
15200
70
VAL
C
169.3
1
15722
96
VAL
C
169.302
1
15578
139
VAL
C
169.317
1
5350
8
VAL
C
169.32
1
15678
57
VAL
C
169.379
1
15722
87
VAL
C
169.457
1
5813
114
VAL
C
169.5
1
5514
224
VAL
C
169.51
1
17799
37
VAL
C
169.552
1
17806
15
VAL
C
169.568
1
17203
24
VAL
C
169.58
1
15046
84
VAL
C
169.6
1
5407
80
VAL
C
169.633
.
15606
3
VAL
C
169.652
1
6111
48
VAL
C
169.67
1
7313
21
VAL
C
169.7
1
16984
17
VAL
C
169.709
1
11125
78
VAL
C
169.785
1
6514
58
VAL
C
169.8
1
16157
33
VAL
C
169.808
1
18389
29
VAL
C
169.809
1
6794
37
VAL
C
169.835
1
15680
255
VAL
C
169.841
1
5844
57
VAL
C
169.848
1
15440
66
VAL
C
169.851
1
18292
43
VAL
C
169.861
1
5305
75
VAL
C
169.869
1
4093
71
VAL
C
169.9
1
6052
73
VAL
C
169.9
1
5886
184
VAL
C
169.9
1
7313
126
VAL
C
169.9
1
4573
112
VAL
C
169.9
1
15128
122
VAL
C
169.94
1
15266
109
VAL
C
169.95
1