NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627915 | 5o4d | 34145 | cing | 1-original | 1 | AMBER | planarity |
# Restraints file 1: ang.rst ###### PLANARITY RESTRAINTS ########### # 1st QUARTET: 2-6-20-12 # # 2-6 # planarity restraint: N9 N7 N1 N3 &rst iat=2,2,6,6, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=2,2,6,6, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=2,2,6,6, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 6-20 # planarity restraints: N9 N7 N1 N3 &rst iat=6,6,20,20, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=6,6,20,20, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=6,6,20,20, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 20-12 # planarity restraint: N9 N7 N1 N3 &rst iat=20,20,12,12, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=20,20,12,12, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=20,20,12,12, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 12-2 # planarity restraints: N9 N7 N1 N3 &rst iat=12,12,2,2, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=12,12,2,2, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=12,12,2,2, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # # # # 2nd QUARTET: 1-13-21-7 # 1-13 # planarity restraint: N9 N7 N1 N3 &rst iat=1,1,13,13, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=1,1,13,13, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=1,1,13,13, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 13-21 # planarity restraints: N9 N7 N1 N3 &rst iat=13,13,21,21, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=13,13,21,21, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=13,13,21,21, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 21-7 # planarity restraints: N9 N7 N1 N3 &rst iat=21,21,7,7, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=21,21,7,7, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=21,21,7,7, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 7-1 # planarity restraints: N9 N7 N1 N3 &rst iat=7,7,1,1, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=7,7,1,1, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=7,7,1,1, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # # # # # 3rd QUARTET: 11-14-22-8 # 11-14 # planarity restraint: N9 N7 N1 N3 &rst iat=11,11,14,14, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=11,11,14,14, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=11,11,14,14, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 14-22 # planarity restraints: N9 N7 N1 N3 &rst iat=14,14,22,22, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=14,14,22,22, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=14,14,22,22, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 22-8 # planarity restraints: N9 N7 N1 N3 &rst iat=22,22,8,8, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=22,22,8,8, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=22,22,8,8, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # 8-11 # planarity restraints: N9 N7 N1 N3 &rst iat=8,8,11,11, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C5 C2 N7 C4 &rst iat=8,8,11,11, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # planarity restraint: C2 C8 C2 C8 &rst iat=8,8,11,11, 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=20.0, rk3=20.0, nstep1=50000, nstep2=290000, iresid=1, &end # # #
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