If you want to use structures and shifts from a CCPN
    project specify the file name here. The project should
    tarred and gzipped (.tar.gz).

    In this field you type the title of the simulated structure.

    This is the literature source of the structure.

The first selection is whether the configuration is alpha or beta.
The Residue column determines the kind of residue.
Linkage is where the link from the previous residue attaches to
this one.
Reducing end determines which residue this residue is linking to.
If none is selected it will be the last residue in the chain.
If self is selected it will be the only element in the polysaccharide.

Each row corresponds to one residue in the polysaccharide
or the repeating unit of it.

The ¹³C- and ¹H- chemical shifts are entered with a space character or a line break separating the values.
The chemical shifts are not needed to simulate a structure, but can be provided if they are available.

If there is a known systematic error in the chemical shifts it can
be corrected by subtracting a specified value.

CLEAR - empties the current chemical shift list

Search ECODAB - Searches ECODAB for the currently input shift list.
Since all fields in ECODAB are searched the results will not be good unless at least a few
shift values are provided.
Both ¹³C and ¹H input are used as the search criteria.

Substituent	Position	Residue
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12
none Methyl O-Ac Phosphate PEtn PCho Sulphate (R)-1-carboxyethyl (S)-1-carboxyethyl	(->1) (->2) (->3) (->4) (->5) (->6)	residue 1 residue 2 residue 3 residue 4 residue 5 residue 6 residue 7 residue 8 residue 9 residue 10 residue 11 residue 12