NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

27595 2ro2 cing 1-original 3 AMBER dihedral angle
# DIHEDRAL CONSTRAINTS
# delta:
 &rst iat=  1, 1, 1, 1, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  190.0, r4=  220.0, rk2= 90.0, rk3= 90.0, /   
 &rst iat=  2, 2, 2, 2, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''',               
     iresid=1, r1=  20.0, r2=   50.0, r3=  110.0, r4=  140.0, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  7, 7, 7, 7, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1= 100.0, r2=  130.0, r3=  190.0, r4=  220.0,  /   
 &rst iat= 11,11,11,11, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1= 100.0, r2=  130.0, r3=  190.0, r4=  220.0,  /                                         
 &rst iat= 12,12,12,12, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1= 100.0, r2=  130.0, r3=  190.0, r4=  220.0,  /
 &rst iat= 13,13,13,13, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''',               
     iresid=1, r1= 100.0, r2=  130.0, r3=  190.0, r4=  220.0,  /                                        
 &rst iat= 14,14,14,14, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1= 100.0, r2=  130.0, r3=  190.0, r4=  220.0,  /   
 &rst iat= 15,15,15,15, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''',    
     iresid=1, r1=  20.0, r2=   50.0, r3=  110.0, r4=  140.0, /   
 &rst iat= 16,16,16,16, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 17,17,17,17, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 21,21,21,21, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 22,22,22,22, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', iresid=1, /   
 &rst iat= 23,23,23,23, atnam(1)='C5''', atnam(2)='C4''', atnam(3)='C3''', atnam(4)='O3''', 
     iresid=1, r1=  20.0, r2=   50.0, r3=  190.0, r4=  220.0, /   
# beta:
 &rst iat=  2, 2, 2, 2, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', 
     iresid=1, r1= 110.0, r2=  140.0, r3=  220.0, r4=  250.0, rk2= 90.0, rk3= 90.0, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat=  5, 5, 5, 5, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /
 &rst iat=  7, 7, 7, 7, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 10,10,10,10, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 11,11,11,11, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 12,12,12,12, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 13,13,13,13, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', 
      iresid=1, r1=  70.0, r2=  100.0, r3=  260.0, r4=  290.0, /        # wide t: larger PH5*, PC4' ovlp  
 &rst iat= 14,14,14,14, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''',    
     iresid=1, r1= 110.0, r2=  140.0, r3=  220.0, r4=  250.0,  /   
 &rst iat= 16,16,16,16, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /  
 &rst iat= 17,17,17,17, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 18,18,18,18, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 20,20,20,20, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 21,21,21,21, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /   
 &rst iat= 22,22,22,22, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /  
 &rst iat= 23,23,23,23, atnam(1)='P   ', atnam(2)='O5''', atnam(3)='C5''', atnam(4)='C4''', iresid=1, /
# gamma:
 &rst iat= 2, 2, 2, 2, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', 
      iresid=1, r1=  -10.0, r2=  20.0, r3=  100.0, r4=  130.0,  rk2= 90.0, rk3= 90.0, /   
 &rst iat=  3, 3, 3, 3, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /   
 &rst iat=  4, 4, 4, 4, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', 
      iresid=1, r1=  -10.0, r2=  20.0, r3=  100.0, r4=  130.0, /                                            
 &rst iat=  7, 7, 7, 7, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /   
 &rst iat=  8, 8, 8, 8, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /   
 &rst iat=  9, 9, 9, 9, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 10,10,10,10, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /
 &rst iat= 11,11,11,11, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 12,12,12,12, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 13,13,13,13, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /    
 &rst iat= 14,14,14,14, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /   
 &rst iat= 15,15,15,15, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', 
      iresid=1, r1=  90.0, r2=  120.0, r3=  360.0, r4=  390.0, /                        
 &rst iat= 16,16,16,16, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', 
      iresid=1, r1=  -10.0, r2=  20.0, r3=  100.0, r4=  130.0, /                                            
 &rst iat= 17,17,17,17, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 18,18,18,18, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /   
 &rst iat= 19,19,19,19, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 20,20,20,20, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /  
 &rst iat= 21,21,21,21, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /     
 &rst iat= 22,22,22,22, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, / 
 &rst iat= 23,23,23,23, atnam(1)='O5''', atnam(2)='C5''', atnam(3)='C4''', atnam(4)='C3''', iresid=1, /
# epsilon:
 &rst iat=  3, 3, 3, 4, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0, rk2= 90.0, rk3= 90.0, /   
 &rst iat=  4, 4, 4, 5, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat=  5, 5, 5, 6, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat=  6, 6, 6, 7, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat=  7, 7, 7, 8, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat=  8, 8, 8, 9, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat=  9, 9, 9,10, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 10,10,10,11, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1= -190.0, r2= -160.0, r3=  -40.0, r4= -10.0, /                     
 &rst iat= 11,11,11,12, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1= -180.0, r2= -150.0, r3=  -50.0, r4= -20.0, /                     
 &rst iat= 12,12,12,13, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, / 
 &rst iat= 13,13,13,14, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1= -190.0, r2= -160.0, r3=  -40.0, r4= -10.0, /                     
 &rst iat= 14,14,14,15, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /  
 &rst iat= 15,15,15,16, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', 
     iresid=1, r1=  140.0, r2=  170.0, r3=  250.0, r4=  280.0, /   
 &rst iat= 16,16,16,17, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 18,18,18,19, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 19,19,19,20, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 20,20,20,21, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
 &rst iat= 21,21,21,22, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, / 
 &rst iat= 22,22,22,23, atnam(1)='C4''', atnam(2)='C3''', atnam(3)='O3''', atnam(4)='P   ', iresid=1, /   
# chirality 
 &rst iat=  7, 7, 7, 7, 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=  8, 8, 8, 8, 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= 14,14,14,14, 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= 21,21,21,21, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 22,22,22,22, atnam(1)='O4''', atnam(2)='N1  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 23,23,23,23, 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=  5, 5, 5, 5, atnam(1)='O4''', atnam(2)='N9  ', atnam(3)='H1''', atnam(4)='C2''', iresid=1, /   
 &rst iat=  6, 6, 6, 6, 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= 12,12,12,12, 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= 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= 17,17,17,17, 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= 21,21,21,21, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 22,22,22,22, atnam(1)='O2''', atnam(2)='C1''', atnam(3)='H2''1', atnam(4)='C3''', iresid=1, /   
 &rst iat= 23,23,23,23, 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= 21,21,21,21, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 22,22,22,22, atnam(1)='O3''', atnam(2)='C4''', atnam(3)='H3''', atnam(4)='C2''', iresid=1, /   
 &rst iat= 23,23,23,23, 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 iat= 21,21,21,21, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 22,22,22,22, atnam(1)='O4''', atnam(2)='C3''', atnam(3)='H4''', atnam(4)='C5''', iresid=1, /   
 &rst iat= 23,23,23,23, 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
	27595	2ro2	cing	1-original	3	AMBER	dihedral angle