XEASY Atom List

Atom List

The XEASY atom list is simply a formatted text file containing the following columns: atom number, chemical shift, chemical shift error, atom name, and a residue or spin system number (an example is shown below). The atom list is one of the most important files and should be backed up regularly.

• Example of XEASY atom list
  

... 
190 113.905   0.000 N      3 
191   8.295   0.000 HN     3 
192  58.246   0.000 CA     3 
193   4.376   0.000 HA     3 
194  63.386   0.000 CB     3 
195   3.979   0.000 HB2    3 
196   3.893   0.004 HB3    3 
197 999.000   0.000 QB     3 
199 999.000   0.000 HG     3 
200 999.000   0.000 C      3  
...

-- Main.GaohuaLiu - 14 Jun 2007