## NMR Restraints Grid |

Result table

image |
mrblock_id |
pdb_id |
bmrb_id |
cing |
stage |
position |
program |
type |

2439 | 1bx5 | 4244 | cing | 1-original | 2 | AMBER | dihedral angle |

# furanose ring nu angle restraints (based on pseudorotation data).....90: # G1 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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # G1 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 = 28, r2 = 30, r3 = 34, r4 = 36, rk2 = 60.0, rk3 = 60.0, &end # G1 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 = -35, r2 = -30.5, r3 = -21.5, r4 = -17, rk2 = 60.0, rk3 = 60.0, &end # G1 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 = -2, r2 = 3.5, r3 = 14.5, r4 = 20, rk2 = 60.0, rk3 = 60.0, &end # G1 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 = 1.0, r2 = 5.5, r3 = 14.5, r4 = 19, rk2 = 60.0, rk3 = 60.0, &end # C2 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 = -30, r2 = -27.5, r3 = -22.5, r4 = -20, rk2 = 60.0, rk3 = 60.0, &end # C2 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 = 25, r2 = 26, r3 = 28, r4 = 29, rk2 = 60.0, rk3 = 60.0, &end # C2 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 = -35, r2 = -31.5, r3 = -24.5, r4 = -21, rk2 = 60.0, rk3 = 60.0, &end # C2 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, r2 = -1.5, r3 = 7.5, r4 = 12, rk2 = 60.0, rk3 = 60.0, &end # C2 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 = 6, r2 = 10, r3 = 18, r4 = 22, rk2 = 60.0, rk3 = 60.0, &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 = -35, r2 = -32, r3 = -26, r4 = -23, rk2 = 60.0, rk3 = 60.0, &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 = 31, r2 = 32.5, r3 = 35.5, r4 = 37, rk2 = 60.0, rk3 = 60.0, &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 = -34, r2 = -30, r3 = -22, r4 = -18, rk2 = 60.0, rk3 = 60.0, &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 = -2, r2 = 3, r3 = 13, r4 = 18, rk2 = 60.0, rk3 = 60.0, &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 = 5, r2 = 9, r3 = 17, r4 = 21, rk2 = 60.0, rk3 = 60.0, &end # A4 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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # A4 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 = 29, r2 = 31, r3 = 35, r4 = 37, rk2 = 60.0, rk3 = 60.0, &end # A4 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, r2 = -31, r3 = -23, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # A4 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, r2 = 6, r3 = 16, r4 = 21, rk2 = 60.0, rk3 = 60.0, &end # A4 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 = 2, r2 = 6, r3 = 14, r4 = 18, rk2 = 60.0, rk3 = 60.0, &end # A5 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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # A5 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 = 29, r2 = 31, r3 = 35, r4 = 37, rk2 = 60.0, rk3 = 60.0, &end # A5 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 = -35, r2 = -31, r3 = -23, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # A5 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 = 1, r2 = 6, r3 = 16, r4 = 21, rk2 = 60.0, rk3 = 60.0, &end # A5 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 = 2, r2 = 6, r3 = 14, r4 = 18, rk2 = 60.0, rk3 = 60.0, &end # T6 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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # T6 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 = 27, r2 = 29.5, r3 = 34.5, r4 = 37, rk2 = 60.0, rk3 = 60.0, &end # T6 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 = -35, r2 = -30.5, r3 = -21.5, r4 = -17, rk2 = 60.0, rk3 = 60.0, &end # T6 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 = -1, r2 = 4.5, r3 = 15.5, r4 = 21, rk2 = 60.0, rk3 = 60.0, &end # T6 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 = 1, r2 = 5.5, r3 = 14.5, r4 = 19, rk2 = 60.0, rk3 = 60.0, &end # T7 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 = 2, r2 = 5.5, r3 = 12.5, r4 = 16, rk2 = 60.0, rk3 = 60.0, &end # T7 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 = -3, r2 = 2.5, r3 = 13.5, r4 = 19, rk2 = 60.0, rk3 = 60.0, &end # T7 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 = -31, r2 = -26, r3 = -16, r4 = -11, rk2 = 60.0, rk3 = 60.0, &end # T7 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 = 20, r2 = 23.5, r3 = 30.5, r4 = 34, rk2 = 60.0, rk3 = 60.0, &end # T7 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 = -30, r2 = -26, r3 = -18, r4 = -14, rk2 = 60.0, rk3 = 60.0, &end # C8 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 = -24, r2 = -19.5, r3 = -10.5, r4 = -6, rk2 = 60.0, rk3 = 60.0, &end # C8 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 = 4, r2 = 5.5, r3 = 8.5, r4 = 10, rk2 = 60.0, rk3 = 60.0, &end # C8 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 = -8, r2 = -2.5, r3 = 8.5, r4 = 14, rk2 = 60.0, rk3 = 60.0, &end # C8 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 = -27, r2 = -19.5, r3 = -4.5, r4 = 3, rk2 = 60.0, rk3 = 60.0, &end # C8 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 = 3, r2 = 9.5, r3 = 22.5, r4 = 29, rk2 = 60.0, rk3 = 60.0, &end # G9 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 = -30, r2 = -27, r3 = -21, r4 = -18, rk2 = 60.0, rk3 = 60.0, &end # G9 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 = 26, r2 = 27.5, r3 = 30.5, r4 = 32, rk2 = 60.0, rk3 = 60.0, &end # G9 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 = -30, r2 = -26.5, r3 = -19.5, r4 = -16, rk2 = 60.0, rk3 = 60.0, &end # G9 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 = -1, r2 = 3.5, r3 = 12.5, r4 = 17, rk2 = 60.0, rk3 = 60.0, &end # G9 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 = 2, r2 = 6, r3 = 14, r4 = 18, rk2 = 60.0, rk3 = 60.0, &end # G11 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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # G11 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 = 28, r2 = 30, r3 = 34, r4 = 36, rk2 = 60.0, rk3 = 60.0, &end # G11 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 = -35, r2 = -30.5, r3 = -21.5, r4 = -17, rk2 = 60.0, rk3 = 60.0, &end # G11 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 = -2, r2 = 3.5, r3 = 14.5, r4 = 20, rk2 = 60.0, rk3 = 60.0, &end # G11 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 = 1.0, r2 = 5.5, r3 = 14.5, r4 = 19, rk2 = 60.0, rk3 = 60.0, &end # C12 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 = -30, r2 = -27.5, r3 = -22.5, r4 = -20, rk2 = 60.0, rk3 = 60.0, &end # C12 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 = 25, r2 = 26, r3 = 28, r4 = 29, rk2 = 60.0, rk3 = 60.0, &end # C12 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 = -35, r2 = -31.5, r3 = -24.5, r4 = -21, rk2 = 60.0, rk3 = 60.0, &end # C12 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, r2 = -1.5, r3 = 7.5, r4 = 12, rk2 = 60.0, rk3 = 60.0, &end # C12 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 = 6, r2 = 10, r3 = 18, r4 = 22, rk2 = 60.0, rk3 = 60.0, &end # G13 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 = -35, r2 = -32, r3 = -26, r4 = -23, rk2 = 60.0, rk3 = 60.0, &end # G13 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 = 31, r2 = 32.5, r3 = 35.5, r4 = 37, rk2 = 60.0, rk3 = 60.0, &end # G13 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 = -34, r2 = -30, r3 = -22, r4 = -18, rk2 = 60.0, rk3 = 60.0, &end # G13 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 = -2, r2 = 3, r3 = 13, r4 = 18, rk2 = 60.0, rk3 = 60.0, &end # G13 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 = 5, r2 = 9, r3 = 17, r4 = 21, rk2 = 60.0, rk3 = 60.0, &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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &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 = 29, r2 = 31, r3 = 35, r4 = 37, rk2 = 60.0, rk3 = 60.0, &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 = -35, r2 = -31, r3 = -23, r4 = -19, rk2 = 60.0, rk3 = 60.0, &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 = 1, r2 = 6, r3 = 16, r4 = 21, rk2 = 60.0, rk3 = 60.0, &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 = 2, r2 = 6, r3 = 14, r4 = 18, rk2 = 60.0, rk3 = 60.0, &end # A15 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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # A15 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 = 29, r2 = 31, r3 = 35, r4 = 37, rk2 = 60.0, rk3 = 60.0, &end # A15 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 = -35, r2 = -31, r3 = -23, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # A15 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 = 1, r2 = 6, r3 = 16, r4 = 21, rk2 = 60.0, rk3 = 60.0, &end # A15 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 = 2, r2 = 6, r3 = 14, r4 = 18, rk2 = 60.0, rk3 = 60.0, &end # T16 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 = -33, r2 = -29.5, r3 = -22.5, r4 = -19, rk2 = 60.0, rk3 = 60.0, &end # T16 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 = 27, r2 = 29.5, r3 = 34.5, r4 = 37, rk2 = 60.0, rk3 = 60.0, &end # T16 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 = -35, r2 = -30.5, r3 = -21.5, r4 = -17, rk2 = 60.0, rk3 = 60.0, &end # T16 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 = -1, r2 = 4.5, r3 = 15.5, r4 = 21, rk2 = 60.0, rk3 = 60.0, &end # T16 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 = 1, r2 = 5.5, r3 = 14.5, r4 = 19, rk2 = 60.0, rk3 = 60.0, &end # T17 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 = 2, r2 = 5.5, r3 = 12.5, r4 = 16, rk2 = 60.0, rk3 = 60.0, &end # T17 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 = -3, r2 = 2.5, r3 = 13.5, r4 = 19, rk2 = 60.0, rk3 = 60.0, &end # T17 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 = -31, r2 = -26, r3 = -16, r4 = -11, rk2 = 60.0, rk3 = 60.0, &end # T17 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 = 20, r2 = 23.5, r3 = 30.5, r4 = 34, rk2 = 60.0, rk3 = 60.0, &end # T17 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 = -30, r2 = -26, r3 = -18, r4 = -14, rk2 = 60.0, rk3 = 60.0, &end # C18 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 = -24, r2 = -19.5, r3 = -10.5, r4 = -6, rk2 = 60.0, rk3 = 60.0, &end # C18 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 = 4, r2 = 5.5, r3 = 8.5, r4 = 10, rk2 = 60.0, rk3 = 60.0, &end # C18 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 = -8, r2 = -2.5, r3 = 8.5, r4 = 14, rk2 = 60.0, rk3 = 60.0, &end # C18 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 = -27, r2 = -19.5, r3 = -4.5, r4 = 3, rk2 = 60.0, rk3 = 60.0, &end # C18 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 = 3, r2 = 9.5, r3 = 22.5, r4 = 29, rk2 = 60.0, rk3 = 60.0, &end # G19 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 = -30, r2 = -27, r3 = -21, r4 = -18, rk2 = 60.0, rk3 = 60.0, &end # G19 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 = 26, r2 = 27.5, r3 = 30.5, r4 = 32, rk2 = 60.0, rk3 = 60.0, &end # G19 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 = -30, r2 = -26.5, r3 = -19.5, r4 = -16, rk2 = 60.0, rk3 = 60.0, &end # G19 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 = -1, r2 = 3.5, r3 = 12.5, r4 = 17, rk2 = 60.0, rk3 = 60.0, &end # G19 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 = 2, r2 = 6, r3 = 14, r4 = 18, rk2 = 60.0, rk3 = 60.0, &end # broad torsion restraint for gamma of T7 & 17 (trans).........2 # 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 = 135, r2 = 150, r3 = 210, r4 = 225, rk2 = 10.0, rk3 = 10.0, &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 = 135, r2 = 150, r3 = 210, r4 = 225, rk2 = 10.0, rk3 = 10.0, &end

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