NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
616734 | 5m2l | 34054 | cing | 1-original | 4 | AMBER | planarity |
# # # # ## Restraints file 4: planarity.txt #planarity # # quartet: 8-22-38-52 # # 8-22 # planarity restraint: N9 N7 N1 N3 &rst iat=8,8,22,22, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=8,8,22,22, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=8,8,22,22, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # 22-38 # planarity restraints: N9 N7 N1 N3 &rst iat=22,22,38,38, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=22,22,38,38, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=22,22,38,38, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # 38-52 # planarity restraint: N9 N7 N1 N3 &rst iat=38,38,52,52, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=38,38,52,52, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=38,38,52,52, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # 52-8 # planarity restraints: N9 N7 N1 N3 &rst iat=52,52,8,8, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=52,52,8,8, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=52,52,8,8, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # quartet 7,23,37,53# # # # 7-23 # planarity restraints: N9 N7 N1 N3 &rst iat=7,7,23,23, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=7,7,23,23, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=7,7,23,23, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 23-37 # planarity restraints: N9 N7 N1 N3 &rst iat=23,23,37,37, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=23,23,37,37, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=23,23,37,37, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 37-53 # planarity restraints: N9 N7 N1 N3 &rst iat=37,37,53,53, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=37,37,53,53, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=37,37,53,53, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 53-7 # planarity restraints: N9 N7 N1 N3 &rst iat=53,53,7,7, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=53,53,7,7, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=53,53,7,7, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2= 50.0, rk3= 50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # # quartet 49-41-19-11 # # 49-41 # planarity restraint: N9 N7 N1 N3 &rst iat=49,49,41,41, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=49,49,41,41, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=49,49,41,41, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # 41-19 # planarity restraints: N9 N7 N1 N3 &rst iat=41,41,19,19, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=41,41,19,19, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=41,41,19,19, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # 19-11 # planarity restraint: N9 N7 N1 N3 &rst iat=19,19,11,11, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=19,19,11,11, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=19,19,11,11, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # 11-49 # planarity restraints: N9 N7 N1 N3 &rst iat=11,11,49,49, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=11,11,49,49, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=11,11,49,49, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # quartet 48,42,18,12# # # #48-42 # planarity restraints: N9 N7 N1 N3 &rst iat=48,48,42,42, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=48,48,42,42, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=48,48,42,42, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 42-18 # planarity restraints: N9 N7 N1 N3 &rst iat=42,42,18,18, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=42,42,18,18, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=42,42,18,18, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 18-12 # planarity restraints: N9 N7 N1 N3 &rst iat=18,18,12,12, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=18,18,12,12, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=18,18,12,12, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 12-48 # planarity restraints: N9 N7 N1 N3 &rst iat=12,12,48,48, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=12,12,48,48, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=12,12,48,48, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # quartet 57-33-27-3 # # 57-33 # planarity restraint: N9 N7 N1 N3 &rst iat=57,57,33,33, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=57,57,33,33, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=57,57,33,33, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # 33-27 # planarity restraints: N9 N7 N1 N3 &rst iat=33,33,27,27, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=33,33,27,27, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=33,33,27,27, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # 27-3 # planarity restraint: N9 N7 N1 N3 &rst iat=27,27,3,3, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=27,27,3,3, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=27,27,3,3, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # 3-57 # planarity restraints: N9 N7 N1 N3 &rst iat=3,3,57,57, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=3,3,57,57, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=3,3,57,57, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # #quartet 4,56,34,26# # # # # # 4-56 # planarity restraints: N9 N7 N1 N3 &rst iat=4,4,56,56, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=4,4,56,56, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=4,4,56,56, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 56-34 # planarity restraints: N9 N7 N1 N3 &rst iat=56,56,34,34, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=56,56,34,34, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=56,56,34,34, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 34-26 # planarity restraints: N9 N7 N1 N3 &rst iat=34,34,26,26, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=34,34,26,26, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=34,34,26,26, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # # 26-4 # planarity restraints: N9 N7 N1 N3 &rst iat=26,26,4,4, atnam(1)='N9', atnam(2)='N7', atnam(3)='N1', atnam(4)='N3', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=26,26,4,4, atnam(1)='C5', atnam(2)='C2', atnam(3)='N7', atnam(4)='C4', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=26,26,4,4, atnam(1)='C2', atnam(2)='C8', atnam(3)='C2', atnam(4)='C8', r1=350.0, r2=355.0, r3=365.0, r4=370.0, rk2=50.0, rk3=50.0, nstep1=0, nstep2=200000, iresid=1, &end # # # planarity GG base pairs # # # planarity restraints: N9 N1 N1 N9 &rst iat=15,15,45,45, atnam(1)='N9', atnam(2)='N1', atnam(3)='N1', atnam(4)='N9', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N7 N1 N1 N7 &rst iat=15,15,45,45, atnam(1)='N7', atnam(2)='N1', atnam(3)='N1', atnam(4)='N7', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N9 N1 N1 N9 &rst iat=60,60,30,30, atnam(1)='N9', atnam(2)='N1', atnam(3)='N1', atnam(4)='N9', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N7 N1 N1 N7 &rst iat=60,60,30,30, atnam(1)='N7', atnam(2)='N1', atnam(3)='N1', atnam(4)='N7', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N9 N1 N1 N9 &rst iat=16,16,46,46, atnam(1)='N9', atnam(2)='N1', atnam(3)='N1', atnam(4)='N9', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N7 N1 N1 N7 &rst iat=16,16,46,46, atnam(1)='N7', atnam(2)='N1', atnam(3)='N1', atnam(4)='N7', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N9 N1 N1 N9 &rst iat=1,1,31,31, atnam(1)='N9', atnam(2)='N1', atnam(3)='N1', atnam(4)='N9', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N7 N1 N1 N7 &rst iat=1,1,31,31, atnam(1)='N7', atnam(2)='N1', atnam(3)='N1', atnam(4)='N7', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N9 N1 N1 N9 &rst iat=14,14,44,44, atnam(1)='N9', atnam(2)='N1', atnam(3)='N1', atnam(4)='N9', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N7 N1 N1 N7 &rst iat=14,14,44,44, atnam(1)='N7', atnam(2)='N1', atnam(3)='N1', atnam(4)='N7', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N9 N1 N1 N9 &rst iat=29,29,59,59, atnam(1)='N9', atnam(2)='N1', atnam(3)='N1', atnam(4)='N9', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end # planarity restraints: N7 N1 N1 N7 &rst iat=29,29,59,59, atnam(1)='N7', atnam(2)='N1', atnam(3)='N1', atnam(4)='N7', r1=170.0, r2=175.0, r3=180.0, r4=185.0, rk2=300.0, rk3=300.0, nstep1=0, nstep2=130000, iresid=1, &end# Restraints file 5: tVK34.crd
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