BMRB format conventer

In case of some formatting problems, you can easily change formats on bmrb website:

http://www.bmrb.wisc.edu/software/starch/

Usually it's easy even to "make" Sparky format in excel (if you don't know how to do it in terminal), use "Concatenate" command to add text together, for example: Q1N-HN-CA-CB-C, then Sparky format looks like:

Assignment	w1	w2	w3	w4	w5
Q1N-HN-CA-CB-C	123.046	8.298	53.18113	26.51555	175.4883
G2N-HN-CA-CB-C	103.031	5.632	41.25012	80.24249	176.281

BMRB asks for:

Input file must contain column names in the first line. First column must contain residue sequence numbers, second column: residue labels (pref. PDB Ligand Expo Component Identifiers).

Names of the first two columns are ignored, names of subsequent columns are used for atom names.

Data lines (starting from the 2nd line) must contain residue sequence number, label, followed by shift values.

Which gives what I wanted.

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