# Input file for the assignment program MARS

fragSize: 	5   			# Maximum length of pseudoresidue fragments
cutoffCO: 	0.25			# Connectivity cutoff (ppm) of CO [0.25]
cutoffCA: 	0.5			# Connectivity cutoff (ppm) of CA [0.5]
cutoffCB: 	0.5			# Connectivity cutoff (ppm) of CB [0.5]
cutoffHA: 	0.25			# Connectivity cutoff (ppm) of HA [0.25]


fixConn: 	NO			# Table for fixing sequential connectivity
fixAss: 	NO	 		# Table for fixing residue type and(or) assignment


pdb: 		1   			# 3D structure available [0/1] 
resolution: 	1.8			# Resolution of 3D structure [Angstrom]
pdbName: 	1dmb.pdb		# Name of PDB file (protons required!)
tensor: 	3	   		# Method for obtaining alignment tensor [0/1/2/3/4]
nIter: 		2  			# Number of iterations [2/3/4]

dObsExh: 	NO			# Name of RDC table for exhaustive SVD (PALES format)
dcTab: 		1dmb_dc.tab		# Name of RDC table (PALES format)

deuterated: 	0 	  		# Protonated proteins [0]; perdeuterated proteins [1]
sequence: 	1dmb_fasta.tab 		# Primary sequence (FASTA format)
secondary: 	1dmb_psipred.tab	# Secondary structure (PSIPRED format)
csTab: 		1dmb_cs.tab        	# Chemical shift table