NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	21107	2h3q	5960	cing	1-original	2	DYANA/DIANA	distance	general distance	simple

############# PIPB NOEs and Restraints #######################

# Intramolecular PIPB NOEs
300 PIPB H2' 300 PIPB H81 2.7 1.00E+00
300 PIPB H2' 300 PIPB H82 2.7 1.00E+00

#300 PIPB H3'1 300 PIPB H1'1 2.7 1.00E+00

# Intermolecular PIPB NOEs
300 PIPB C10 21 LEU QD2 3.8 1.00E+00
300 PIPB C10 29 TYR HE1 3.8 1.00E+00
300 PIPB C10 77 SER QB 5.5 1.00E+00
300 PIPB H2' 36 TRP HD1 5.0 1.00E+00
300 PIPB H2' 36 TRP HE1 5.0 1.00E+00
300 PIPB H2' 33 HISB HD2 5.0 1.00E+00
300 PIPB C1' 36 TRP HD1 5.5 1.00E+00
300 PIPB H1'1 33 HISB HD2 3.3 1.00E+00
300 PIPB H1'2 33 HISB HD2 3.3 1.00E+00

300 PIPB C8 29 TYR HE1 5.5 1.00E+00
300 PIPB C8 36 TRP HE3 5.5 1.00E+00
300 PIPB C8 36 TRP HZ3 5.5 1.00E+00

300 PIPB H1 21 LEU QD1 3.3 1.00E+00
300 PIPB H1 21 LEU QD2 5.0 1.00E+00
300 PIPB H2 21 LEU QD1 5.0 1.00E+00
300 PIPB H2 27 LYS QE 3.3 1.00E+00
300 PIPB H2 27 LYS QD 3.3 1.00E+00
300 PIPB H3 21 LEU QD1 3.3 1.00E+00
300 PIPB H3 21 LEU QD2 5.0 1.00E+00
300 PIPB H5 21 LEU QD1 5.0 1.00E+00
300 PIPB H5 21 LEU QD2 5.0 1.00E+00 #stronger than QD1

300 PIPB H1 27 LYS QD 5.0 1.00E+00
300 PIPB H1 27 LYS QE 5.0 1.00E+00
300 PIPB H2 27 LYS QD 5.0 1.00E+00
300 PIPB H2 27 LYS QD 5.0 1.00E+00

# Intermolecular H-bonds and salt bridges
#300 PIPB OP2 33 HISB HE2 3.0 1.00E+00
300 PIPB OP2 27 LYS HZ1 3.0 1.00E+00
300 PIPB OP3 27 LYS HZ1 3.0 1.00E+00
300 PIPB O41 22 ARG HE 3.0 1.00E+00
300 PIPB O51 76 ARG HH22 3.0 1.00E+00

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