NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
11888 1s74 cing 1-original 3 AMBER dihedral angle



# G-C and A-T base pair angle restraints
 
 &rst  iat =  1, 20, 20, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  1,  1, 20, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  1,  1, 20, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  18,  3, 3, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  18, 18, 3, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  18, 18, 3, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  17,  4, 4, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  17, 17, 4, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  17, 17, 4, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  15,  6, 6, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  15, 15, 6, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  15, 15, 6, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  7, 14, 14, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  7,  7, 14, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  7,  7, 14, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  12,  9, 9, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  12, 12, 9, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  12, 12, 9, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat = 10, 11, 11, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat = 10, 10, 11, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat = 10, 10, 11, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end

 &rst  iat =  19,  2, 2, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =  19,  19, 2, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =   8, 13, 13, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end
 &rst  iat =   8,  8, 13, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, &end


# endocyclic torsion angle restraints generated by my torsionrestraints program
# for non-terminal beta's except C6, P=130 to 180, fs = 100% (Altona equations)

#            NU0     C4'-O4'-C1'-C2'   -24.6 +/- 11.5
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    35.3 +/- 3.0 
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   -32.6 +/- 6.6 
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'    17.5 +/- 13.7 
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'    4.4 +/- 15.6 
&rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'    
 &rst   iat = 3, 3, 3, 3, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'     
 &rst   iat = 3, 3, 3, 3, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'    
 &rst   iat = 3, 3, 3, 3, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'     
 &rst   iat = 3, 3, 3, 3, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'    
&rst   iat = 3, 3, 3, 3, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end


#            NU0     C4'-O4'-C1'-C2'    
 &rst   iat = 4, 4, 4, 4, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    
 &rst   iat = 4, 4, 4, 4, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 4, 4, 4, 4, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'    
 &rst   iat = 4, 4, 4, 4, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'  
&rst   iat = 4, 4, 4, 4, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'    
 &rst   iat = 7, 7, 7, 7, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'     
 &rst   iat = 7, 7, 7, 7, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'    
 &rst   iat = 7, 7, 7, 7, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'     
 &rst   iat = 7, 7, 7, 7, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'   
&rst   iat = 7, 7, 7, 7, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'   
 &rst   iat = 8, 8, 8, 8, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    
 &rst   iat = 8, 8, 8, 8, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 8, 8, 8, 8, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'     
 &rst   iat = 8, 8, 8, 8, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'   
&rst   iat = 8, 8, 8, 8, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'   
 &rst   iat = 9, 9, 9, 9, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    
 &rst   iat = 9, 9, 9, 9, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 9, 9, 9, 9, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'   
 &rst   iat = 9, 9, 9, 9, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'  
&rst   iat = 9, 9, 9, 9, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'   
 &rst   iat = 12, 12, 12, 12, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'   
 &rst   iat = 12, 12, 12, 12, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 12, 12, 12, 12, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'    
 &rst   iat = 12, 12, 12, 12, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'   
&rst   iat = 12, 12, 12, 12, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'   
 &rst   iat = 13, 13, 13, 13, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    
 &rst   iat = 13, 13, 13, 13, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 13, 13, 13, 13, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'   
 &rst   iat = 13, 13, 13, 13, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'   
&rst   iat = 13, 13, 13, 13, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'   
 &rst   iat = 14, 14, 14, 14, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'   
 &rst   iat = 14, 14, 14, 14, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 14, 14, 14, 14, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'   
 &rst   iat = 14, 14, 14, 14, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'    
&rst   iat = 14, 14, 14, 14, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'   
 &rst   iat = 15, 15, 15, 15, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'   
 &rst   iat = 15, 15, 15, 15, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 15, 15, 15, 15, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'    
 &rst   iat = 15, 15, 15, 15, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'   
&rst   iat = 15, 15, 15, 15, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'  
 &rst   iat = 16, 16, 16, 16, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'   
 &rst   iat = 16, 16, 16, 16, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   
 &rst   iat = 16, 16, 16, 16, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'    
 &rst   iat = 16, 16, 16, 16, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'  
&rst   iat = 16, 16, 16, 16, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'  
 &rst   iat = 17, 17, 17, 17, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    
 &rst   iat = 17, 17, 17, 17, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'  
 &rst   iat = 17, 17, 17, 17, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'   
 &rst   iat = 17, 17, 17, 17, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'  
&rst   iat = 17, 17, 17, 17, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'   
 &rst   iat = 18, 18, 18, 18, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'   
 &rst   iat = 18, 18, 18, 18, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'  
 &rst   iat = 18, 18, 18, 18, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'   
 &rst   iat = 18, 18, 18, 18, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'  
&rst   iat = 18, 18, 18, 18, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

#            NU0     C4'-O4'-C1'-C2'  
 &rst   iat = 19, 19, 19, 19, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -46.1, r2 =  -36.1, r3 =  -13.1, r4 =   -3.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'  
 &rst   iat = 19, 19, 19, 19, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   22.3, r2 =   32.3, r3 =  38.3, r4 = 48.3,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'  
 &rst   iat = 19, 19, 19, 19, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -49.2, r2 =  -39.2, r3 =  -26.0, r4 =  -16.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4' 
 &rst   iat = 19, 19, 19, 19, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   -6.2, r2 =   3.8, r3 =  31.2, r4 = 41.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'  
&rst   iat = 19, 19, 19, 19, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -21.2, r2 =  -11.2, r3 =  20.0, r4 =   30.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end



# nu's for alphaA....phi =30; P = 155 to 205; fs = 1.00
#            NU0     C4'-O4'-C1'-C2'   -9.3 +/- 12.4 
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -31.7, r2 =  -21.7, r3 =  3.1, r4 =   13.1,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    24.3 +/- 7.7 
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =   6.6, r2 =   16.6, r3 =  32.0, r4 = 42.0,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   -30.0 +/- 3.0 
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -43.0, r2 =  -33.0, r3 =  -27.0, r4 =  -17.0,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'    24.3 +/- 7.7 
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =   6.6, r2 =   16.6, r3 =  32.0, r4 = 42.0, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'   -9.3 +/- 12.4 
&rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  -31.7, r2 =  -21.7, r3 =  3.1, r4 =   13.1, 
           rk2 = 50.0, rk3 =  50.0,                                  &end

# nu's for C6....phi =37; P = 135 +/- 15; fs = 0.57 +/- 0.06
#            NU0     C4'-O4'-C1'-C2'   -18.8 +/- 6.4
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
           r1 =  -35.2, r2 =  -25.2, r3 = -12.4, r4 =  -2.4,   
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU1     O4'-C1'-C2'-C3'    11.5 +/- 5.0
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
           r1 =  -3.5, r2 =   6.5, r3 =  16.5, r4 = 26.5,
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU2     C1'-C2'-C3'-C4'   0.2 +/- 10.5 
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
           r1 =  -20.3, r2 =  -10.3, r3 =  10.7, r4 =  20.7,  
           rk2 = 50.0, rk3 =  50.0,                                  &end 
#            NU3     C2'-C3'-C4'-O4'    -11.8 +/- 12.0
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
           r1 =  -33.8, r2 =  -23.8, r3 = 0.2, r4 = 10.2, 
           rk2 = 50.0, rk3 =  50.0,                                  &end
#            NU4     C3'-C4'-O4'-C1'   18.9 +/- 8.9
&rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
           r1 =  0.0, r2 =  10.0, r3 =  27.8, r4 =   37.8, 
           rk2 = 50.0, rk3 =  50.0,                                  &end



## the following are B-backbone torsion angle restraints 
## broad right-handed (Mujeeb et al 1993!!!)
## except for z C4; a,z aA5; a C6

# 1st strand (with alphaA at position 5)
# torsion angle constraint number   t gamma
 &rst  iat =  1,  1,  1,  1, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  1,  1,  1,  2, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  1,  1,  2,  2, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  1,  2,  2,  2, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  2,  2,  2,  2, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  2,  2,  2,  2, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end
 
# torsion angle constraint number   1 epsilon
 &rst  iat =  2,  2,  2,  3, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  2,  2,  3,  3, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  2,  3,  3,  3, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  3,  3,  3,  4, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  3,  3,  4,  4, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  3,  4,  4,  4, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end


# torsion angle constraint number   1 epsilon
 &rst  iat =  4,  4,  4,  5, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number    4 beta
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end
# torsion angle constraint number   1 epsilon
 &rst  iat =  5,  5,  5,  6, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number    4 beta
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end


# torsion angle constraint number   1 epsilon
 &rst  iat =  6,  6,  6,  7, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  6,  6,  7,  7, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  6,  7,  7,  7, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  7,  7,  8,  8, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  7,  8,  8,  8, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  8,  8,  8,  9, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  8,  8,  9,  9, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  8,  9,  9,  9, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  9,  9,  9,  10, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  9,  9,  10,  10, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  9,  10,  10,  10, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  10,  10,  10,  10, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  10,  10,  10,  10, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# 2nd strand
# torsion angle constraint number   t gamma
 &rst  iat =  11,  11,  11,  11, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  11,  11,  11,  12, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  11,  11,  12,  12, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  11, 12,  12,  12, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  12,  12,  12,  12, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat = 12, 12,  12,  12, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end
 
# torsion angle constraint number   1 epsilon
 &rst  iat =  12,  12,  12,  13, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  12,  12,  13,  13, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  12,  13,  13,  13, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat = 13,  13,  13,  13, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  13,  13,  13,  13, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end


# torsion angle constraint number   1 epsilon
 &rst  iat =  13,  13,  13,  14, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  13,  13,  14,  14, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  13,  14,  14,  14, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  14,  14,  14,  15, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  14,  14,  15,  15, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat =  14,  15,  15,  15, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  15,  15,  15,  16, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  15, 15, 16, 16, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat = 15, 16, 16, 16, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  16,  16,  16,  17, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  16, 16, 17, 17, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat = 16, 17, 17, 17, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  17,  17,  17,  18, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  17, 17, 18, 18, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat = 17, 18, 18, 18, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat = 18, 18, 18, 18, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat = 18, 18, 18, 18, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  18,  18,  18,  19, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  18, 18, 19, 19, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat = 18, 19, 19, 19, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat = 19, 19, 19, 19, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat = 19, 19, 19, 19, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# torsion angle constraint number   1 epsilon
 &rst  iat =  19,  19,  19,  20, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 130.1, r2 = 140.1, r3 = 300.1, r4 = 310.1,
       rk2 = 10.0001, rk3 = 10.0001, &end
# torsion angle constraint number   2 zeta
 &rst  iat =  19, 19, 20, 20, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 10.0002, rk3 = 10.0002, &end
# torsion angle constraint number   3 alpha
 &rst  iat = 19, 20, 20, 20, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 10.0003, rk3 = 10.0003, &end
# torsion angle constraint number    4 beta
 &rst  iat = 20, 20, 20, 20, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 10.0004, rk3 = 10.0004, &end
# torsion angle constraint number    5 gamma
 &rst  iat = 20, 20, 20, 20, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 10.0005, rk3 = 10.0005, &end

# rdc restraint file for AMBER

 &align
   ndip=25, dcut=-1.0, fj=1.0, dfac_al=25*-0.46623,
   s11=1.872, s22=5.282, s12=4.105, s13=-3.478, s23=7.336,
   id(1)=26,   jd(1)=27,  dobs(1)= -1.34,
   id(2)=39,   jd(2)=40,  dobs(2)= -2.79,
   id(3)=45,   jd(3)=46,  dobs(3)=  2.51,
   id(4)=104,   jd(4)=105,  dobs(4)= -0.12,
   id(5)=134,   jd(5)=135,  dobs(5)=  3.99,
   id(6)=131,   jd(6)=132,  dobs(6)=  1.32,
   id(7)=146,   jd(7)=147,  dobs(7)=  6.50,
   id(8)=163,   jd(8)=164,  dobs(8)= -0.57,
   id(9)=232,   jd(9)=233,  dobs(9)=  5.00,
   id(10)=261,   jd(10)=262,  dobs(10)=  2.78,
   id(11)=275,   jd(11)=276,  dobs(11)=  2.16,
   id(12)=264,   jd(12)=265,  dobs(12)=  0.51,
   id(13)=291,   jd(13)=292,  dobs(13)=  3.01,
   id(14)=288,   jd(14)=289,  dobs(14)=  5.11,
   id(15)=323,   jd(15)=324,  dobs(15)= -0.42,
   id(16)=320,   jd(16)=321,  dobs(16)= -0.62,
   id(17)=386,   jd(17)=387,  dobs(17)= -1.14,
   id(18)=389,   jd(18)=390,  dobs(18)=  4.50,
   id(19)=415,   jd(19)=416,  dobs(19)= -1.39,
   id(20)=421,   jd(20)=422,  dobs(20)=  4.99,
   id(21)=451,   jd(21)=452,  dobs(21)=  2.50,
   id(22)=481,   jd(22)=482,  dobs(22)=  4.17,
   id(23)=513,   jd(23)=514,  dobs(23)=  1.39,
   id(24)=625,   jd(24)=626,  dobs(24)=  2.27,
   id(25)=608,   jd(25)=609,  dobs(25)=  0.00,
 &end


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