! Base pair restraints ! ! Heavy-atom to heavy-atom distances from Saenger p. 123 ! Imino and amino to bonded nitrogen distances (all 1.01) from JPR's ! parameter file ! ! AU pair ! ! AN6-UO4 (2.95) - AN6-AH62 (1.01) = AH62-UO4 (1.94) ! AN1-UN3 (2.82) - UH3-UN3 (1.01) = AN1-UH3 (1.81) ! ! GC pair ! ! GO6-CN4 (2.91) - CH42-CN4 (1.01) = GO6-CH42 (1.90) ! GN1-CN3 (2.95) - GN1-GH1 (1.01) = GH1-CN3 (1.94) ! GN2-CO2 (2.86) - GN2-GH22 (1.01) = GH22-CO2 (1.85) ! GC assign (resid 1 and name O6) (resid 21 and name H42) 1.90 0.1 0.1 assign (resid 1 and name H1) (resid 21 and name N3) 1.94 0.1 0.1 assign (resid 1 and name H22) (resid 21 and name O2) 1.90 0.1 0.1 ! GC assign (resid 2 and name O6) (resid 20 and name H42) 1.90 0.1 0.1 assign (resid 2 and name H1) (resid 20 and name N3) 1.94 0.1 0.1 assign (resid 2 and name H22) (resid 20 and name O2) 1.90 0.1 0.1 ! CG assign (resid 3 and name H42) (resid 19 and name O6) 1.90 0.1 0.1 assign (resid 3 and name N3) (resid 19 and name H1) 1.94 0.1 0.1 assign (resid 3 and name O2) (resid 19 and name H22) 1.90 0.1 0.1 ! AU assign (resid 4 and name H62) (resid 18 and name O4) 1.94 0.1 0.1 assign (resid 4 and name N1) (resid 18 and name H3) 1.81 0.1 0.1 ! GC assign (resid 5 and name O6) (resid 17 and name H42) 1.90 0.1 0.1 assign (resid 5 and name H1) (resid 17 and name N3) 1.94 0.1 0.1 assign (resid 5 and name H22) (resid 17 and name O2) 1.90 0.1 0.1 ! GC assign (resid 6 and name O6) (resid 16 and name H42) 1.90 0.1 0.1 assign (resid 6 and name H1) (resid 16 and name N3) 1.94 0.1 0.1 assign (resid 6 and name H22) (resid 16 and name O2) 1.90 0.1 0.1 ! GC assign (resid 7 and name O6) (resid 15 and name H42) 1.90 0.1 0.1 assign (resid 7 and name H1) (resid 15 and name N3) 1.94 0.1 0.1 assign (resid 7 and name H22) (resid 15 and name O2) 1.90 0.1 0.1