Determine Glycan Structure

Project		?
If you want to use structures and shifts from a CCPN project specify the file name here. The project should be tarred and gzipped (.tar.gz).
Title		?
In this field you type the title of the project or the name of the glycan.
Source		?
This is the literature source of the structure.

Residue	Linkage position
	1	2	3	4	5	6	*
								?
Residues are selected from the pull-down menus. Some residues are only available from the first menu. After that the possible linkage positions are checked. The available linkage positions depend on the kind of residue. The types of residues and the linkage positions are obtained from sugar (component) analysis and methylation (linkage) analysis. If the linkage of a residue is unknown select the * column. This checks all possible linkage positions and this will also make it possible to take them all into account when determining the structure. Unchecking the * column will erase the linkage positions of that residue.

Chemical shifts 1D 2D ?

¹³C	¹H
C chemical shifts 101.85 79.61 70.83 73.31 70.04 17.48 101.58 79.05 70.94 73.20 69.95 17.56 101.85 71.47 78.28 72.45 69.88 17.36 103.03 56.39 82.24 69.40 75.21 66.97 23.20 174.88 99.07 72.45 74.11 70.66 72.84 61.65 Correct by subtracting ppm	H chemical shifts Correct by subtracting ppm ?
If there is a known systematic error in the chemical shifts a correction can be applied.
Number of chemical shifts - Anticipated: Actual:	Number of chemical shifts - Anticipated: Actual:

Minimum number of coupling constants of different magnitudes ?
If the numbers of coupling constants within different magnitudes are known they can be provided here. The numbers given are the minimum numbers and therefore it is not essential to fill in these fields but it can improve the results.
	small	medium	large
³J_HH	(<2 Hz)	(2-7 Hz)	(>7 Hz)
¹J_CH	(<169 Hz)		(>169 Hz)

Bioorganic Chemistry