NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype

27793 2rpk cing 1-original 3 AMBER stereochemistry chirality
# chirality constraints for simulated annealing
 &rst iat=  5, 5, 5, 5, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', 
     iresid=1, r1=  -90.0, r2=  -80.0, r3=  -60.0, r4=  -50.0, rk2= 150.0, rk3= 150.0, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  1, 1, 1, 1, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
#
 &rst iat=  1, 1, 1, 1, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', 
     iresid=1, r1=  -90.0, r2=  -80.0, r3=  -60.0, r4=  -50.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
#
 &rst iat=  1, 1, 1, 1, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', 
     iresid=1, r1=   50.0, r2=   60.0, r3=   80.0, r4=   90.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
#
 &rst iat=  1, 1, 1, 1, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', 
     iresid=1, r1=  -90.0, r2=  -80.0, r3=  -60.0, r4=  -50.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 14,14,14,14, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 16,16,16,16, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
#
 &rst &end
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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype
	27793	2rpk	cing	1-original	3	AMBER	stereochemistry	chirality