NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
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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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