OUTLINE


	SIMULATION

gpq7x
ppg - dynamics, rmsd, rama
ppg --> pqg
pqg - minimization, dynamics, rmsd, rama
pqg --> 3xpqg parallel
3xpqg - dynamics, rmsd, rama
comparison of rama


	SAMPLE ANALYSIS

1st sample preparation
1st NMR - analysis
AAA preparation --> AAA

2nd sample preparation
2nd NMR
AAA preparation --> AAA
peak characterization - NMR + AAA + kosuke printout