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
2552 1c2q 4547 cing 1-original 2 AMBER dihedral angle


# Endocyclic torsion angle restraints for the ribose sugars in the
# alphaT DNA/RNA nonamer hybrid.  Limits:  Pn =  -45 to 45; phi = 38;  
# (see van Wijk et al., 1993; also see makeANG_RST script (uses phi = 38.5))
# k = 50; 5 degree parabolic windows.


#       A1   NU0     C4'-O4'-C1'-C2'
 &rst   iat = 1, 1, 1, 1, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
        r1 =  -25.3, r2 =  -20.55, r3 =   -11.05, r4 =   -6.3,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       A1  NU1     O4'-C1'-C2'-C3'
 &rst   iat = 1, 1, 1, 1, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
        r1 =  8.1, r2 =  10.7, r3 =   15.9, r4 =    18.5,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       A1   NU2     C1'-C2'-C3'-C4'
 &rst   iat = 1, 1, 1, 1, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
        r1 =   -14.9, r2 =  -10.25, r3 =   -0.95, r4 =   3.7,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       A1   NU3     C2'-C3'-C4'-O4' 
 &rst   iat = 1, 1, 1, 1, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
        r1 =  -17.4, r2 =  -10.8, r3 =   2.4, r4 =    9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       A1   NU4     C3'-C4'-O4'-C1' 
 &rst   iat = 1, 1, 1, 1, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
        r1 =  0.3, r2 =  6.35, r3 =   18.45, r4 =   24.5,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       T2   NU0     C4'-O4'-C1'-C2'
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
        r1 =  -32, r2 =  -28.75, r3 =   -22.25, r4 =   -19,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       T2  NU1     O4'-C1'-C2'-C3'
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
        r1 =  23.8, r2 =  25.9, r3 =   30.1, r4 =    32.2,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       T2   NU2     C1'-C2'-C3'-C4'
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
        r1 =   -29, r2 =   -24.4, r3 =  -15.2, r4 =   -10.6,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       T2   NU3     C2'-C3'-C4'-O4' 
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
        r1 =  -6.6, r2 =  -1.3, r3 =   9.3, r4 =    14.6,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       T2   NU4     C3'-C4'-O4'-C1' 
 &rst   iat = 2, 2, 2, 2, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
        r1 =   5.3, r2 =  9.3, r3 =   17.3, r4 =   21.3,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       G3   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 =  -30.2, r2 =  -25.9, r3 =   -17.3, r4 =   -13,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       G3  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 =   22.8, r2 =  25.7, r3 =   31.5, r4 =    34.4,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G3   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 =   -33.3, r2 =   -28.95, r3 =  -20.25, r4 =  -15.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G3   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 =  -0.6, r2 =  5.35, r3 =   17.25, r4 =    23.2,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G3   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 =  -4.1, r2 =  1.15, r3 =   11.65, r4 =   16.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       G4   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 =  -31, r2 =  -26.75, r3 =   -18.25, r4 =   -14,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       G4  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 =  25, r2 =  27.75, r3 =   33.25, r4 =    36,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G4   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 =   -35.2, r2 =   -31.05, r3 =  -22.75, r4 =   -18.6,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G4   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 =  1.5, r2 =  7.3, r3 =   18.9, r4 =    24.7,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G4   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 =  -4.6, r2 =  0.6, r3 =   11, r4 =   16.2,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       aT5   NU0     C4'-O4'-C1'-C2'
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
        r1 =  1.3, r2 =  4.95, r3 =   12.25, r4 =   15.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       aT5  NU1     O4'-C1'-C2'-C3'
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
        r1 =   -3, r2 =  2.45, r3 =   13.35, r4 =    18.8,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       aT5   NU2     C1'-C2'-C3'-C4'
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
        r1 =   -31.7, r2 =   -26.5, r3 =   -16.1, r4 =   -10.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       aT5   NU3     C2'-C3'-C4'-O4' 
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
        r1 =  20, r2 =  23.35, r3 =   30.05, r4 =    33.4,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       aT5   NU4     C3'-C4'-O4'-C1' 
 &rst   iat = 5, 5, 5, 5, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
        r1 =  -30.1, r2 =  -25.95, r3 =   -17.65, r4 =   -13.5,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       G6   NU0     C4'-O4'-C1'-C2'
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
        r1 =  -18.5, r2 =  -10.6, r3 =   5.2, r4 =   13.1,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       G6  NU1     O4'-C1'-C2'-C3'
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
        r1 =  -21.6, r2 =  -14.9, r3 =   -1.5, r4 =    5.2,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G6   NU2     C1'-C2'-C3'-C4'
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
        r1 =   10.1, r2 =   13.05, r3 =   18.95, r4 =   21.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G6   NU3     C2'-C3'-C4'-O4' 
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
        r1 =  -27.3, r2 =  -22.5, r3 =   -12.9, r4 =    -8.1,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       G6   NU4     C3'-C4'-O4'-C1' 
 &rst   iat = 6, 6, 6, 6, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
        r1 =  -0.8, r2 =  5.9, r3 =   19.3, r4 =   26,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       C7   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 =  -15.5, r2 =  -7.2, r3 =   9.4, r4 =   17.7,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       C7  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 =  -30.4, r2 =  -23.2, r3 =   -8.8, r4 =    -1.6,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       C7   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 =   18, r2 =   21.4, r3 =   28.2, r4 =   31.6,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       C7   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 =  -34.5, r2 =  -29.3, r3 =   -18.9, r4 =   -13.7,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       C7   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 =  0.4, r2 =   7.3, r3 =   21.1, r4 =   28,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       T8   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 =  -21.7, r2 =  -18.65, r3 =   -12.55, r4 =   -9.5,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       T8  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 =  5.1, r2 =  6.65, r3 =   9.75, r4 =   11.3,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       T8   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 =   -5.8, r2 =   -1.75, r3 =   6.35, r4 =   10.4,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       T8   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 =  -21.9, r2 =  -16.9, r3 =   -6.9, r4 =    -1.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       T8   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 =   8.9, r2 =   12.95, r3 =   21.05, r4 =    25.1,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       C9   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 =  -23.2, r2 =  -20.7, r3 =   -15.7, r4 =   -13.2,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       C9  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 =   4.2, r2 =   6.5, r3 =   11.1, r4 =    13.4,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       C9   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 =   -5.9, r2 =   -1, r3 =   8.8, r4 =   13.7,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       C9   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 =   -26.4, r2 =  -20.8, r3 =   -9.6, r4 =    -4,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       C9   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 =   12.3, r2 =  16.45, r3 =   24.75, r4 =   28.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end


# Endocyclic torsion angle restraints for the ribose sugars in the
# alphaT DNA/RNA nonamer hybrid.  Limits:  Pn =  -45 to 45; phi = 38;  
# (see van Wijk et al., 1993; also see makeANG_RST script (uses phi = 38.5))
# k = 50; 5 degree parabolic windows.


#       g10   NU0     C4'-O4'-C1'-C2'
 &rst   iat = 10, 10, 10, 10, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
        r1 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       g10  NU1     O4'-C1'-C2'-C3'
 &rst   iat = 10, 10, 10, 10, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
        r1 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       g10   NU2     C1'-C2'-C3'-C4'
 &rst   iat = 10, 10, 10, 10, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
        r1 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       g10   NU3     C2'-C3'-C4'-O4' 
 &rst   iat = 10, 10, 10, 10, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
        r1 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       g10   NU4     C3'-C4'-O4'-C1' 
 &rst   iat = 10, 10, 10, 10, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
        r1 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       a11   NU0     C4'-O4'-C1'-C2'
 &rst   iat = 11, 11, 11, 11, iresid = 1,
        atnam(1)='C4'' ',atnam(2)='O4'' ',atnam(3)='C1'' ',atnam(4)='C2'' ',
        r1 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       a11  NU1     O4'-C1'-C2'-C3'
 &rst   iat = 11, 11, 11, 11, iresid = 1,
        atnam(1)='O4'' ',atnam(2)='C1'' ',atnam(3)='C2'' ',atnam(4)='C3'' ',
        r1 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a11   NU2     C1'-C2'-C3'-C4'
 &rst   iat = 11, 11, 11, 11, iresid = 1,
        atnam(1)='C1'' ',atnam(2)='C2'' ',atnam(3)='C3'' ',atnam(4)='C4'' ',
        r1 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a11   NU3     C2'-C3'-C4'-O4' 
 &rst   iat = 11, 11, 11, 11, iresid = 1,
        atnam(1)='C2'' ',atnam(2)='C3'' ',atnam(3)='C4'' ',atnam(4)='O4'' ',
        r1 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a11   NU4     C3'-C4'-O4'-C1' 
 &rst   iat = 11, 11, 11, 11, iresid = 1,
        atnam(1)='C3'' ',atnam(2)='C4'' ',atnam(3)='O4'' ',atnam(4)='C1'' ',
        r1 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       g12   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       g12  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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       g12   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 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       g12   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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       g12   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       c13   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       c13  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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c13   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 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c13   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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c13   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       a14   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       a14  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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a14   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 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a14   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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a14   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       c15   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       c15  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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c15   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 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c15   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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c15   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       c16   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       c16  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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c16   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 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c16   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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       c16   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       a17   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       a17  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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a17   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 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a17   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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       a17   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end

#       u18   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 = 50.0, rk3 =  50.0,                                  &end
#       u18  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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       u18   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 =   21.8, r2 =   26.8, r3 =   38, r4 =   43,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       u18   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 =  -42.5, r2 =  -37.5, r3 =   -5.9, r4 =    -0.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end
#       u18   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 =  -22.3, r2 =  -17.3, r3 =   33.9, r4 =   38.9,
        rk2 =  50.0, rk3 =  50.0,                                  &end




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