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How I made a simulated HSQC from BioMagResBank data:

I wanted lines of this form (x,y,string):

          7.71  118.5  "52 GLU"

• I removed header and tailer from bmrb file #4581
• I pulled out the right lines into two files, e.g.:
  

   grep "N    N" bmrbfile > Nshifts
   grep "H    H" bmrbfile > Nshifts 

• I opened those in spreadsheet (openoffice) and
  

   (actually, opened into writer, copied & pasted into spreadsheet as text)
   cut out columns, reordered, adjusted widths, saved as text

• I added a column between residue number and name in nedit
• put quotes around last field (last 6 characters) in vi:

   :% s/\(......$\)/"\1"/

• I opened it in xmgrace:

   data -> import ascii -> block data (if it doesn't show up as
   3 columns, try resaving as fixed-width or tab separated again)

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