NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13408 | 1uqb | cing | 1-original | 4 | AMBER | dihedral angle |
# sequence: d(CAGCTG)2 # backbone torsion; belta and epsilon (can be determined from HSQC expt.) # the following torsion angles are in the order of: # C4'-C5'-O5'-P (beta); C4'-C3'-O3'-P(n+1) (epsilon); H3'-C3'-O3'-P(n+1) # +/- 2.5 Hz => +/- 2.5 deg. extending 10 deg. at each side. # # from C1 and C7 ================================================= &rst iat=6,23,28,29,r1=-167.1,r2=-157.1,r3=-152.1,r4=-142.1, rk2=50,rk3=50,&end &rst iat=195,212,217,218,r1=-167.1,r2=-157.1,r3=-152.1,r4=-142.1,&end &rst iat=24,23,28,29,r1=-47.9,r2=-37.9,r3=-32.9,r4=-22.9,&end &rst iat=213,212,217,218,r1=-47.9,r2=-37.9,r3=-32.9,r4=-22.9,&end # from A2 and A8 ================================================= &rst iat=29,32,33,36,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8, rk2=50,rk3=50,&end &rst iat=36,55,60,61,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8, rk2=50,rk3=50,&end &rst iat=56,55,60,61,r1=-54.6,r2=-44.6,r3=-39.6,r4=-29.6,&end &rst iat=218,221,222,225,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8, rk2=50,rk3=50,&end &rst iat=225,244,249,250,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8, rk2=50,rk3=50,&end &rst iat=245,244,249,250,r1=-54.6,r2=-44.6,r3=-39.6,r4=-29.6,&end # from G3 and G9 ================================================= &rst iat=61,64,65,68,r1=149.8,r2=159.8,r3=164.8,r4=174.8, rk2=50,rk3=50,&end &rst iat=68,88,93,94,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8, rk2=50,rk3=50,&end &rst iat=89,88,93,94,r1=-54.6,r2=-44.6,r3=-39.6,r4=-29.6,&end &rst iat=250,253,254,257,r1=149.8,r2=159.8,r3=164.8,r4=174.8, rk2=50,rk3=50,&end &rst iat=257,277,282,283,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8, rk2=50,rk3=50,&end &rst iat=278,277,282,283,r1=-54.6,r2=-44.6,r3=-39.6,r4=-29.6,&end # from C4 and C10 ================================================= &rst iat=94,97,98,101,r1=155.1,r2=165.1,r3=170.1,r4=180.1, rk2=50,rk3=50,&end &rst iat=101,118,123,124,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1, rk2=50,rk3=50,&end &rst iat=119,118,123,124,r1=-59.8,r2=-49.8,r3=-44.8,r4=-34.8,&end &rst iat=283,286,287,290,r1=155.1,r2=165.1,r3=170.1,r4=180.1, rk2=50,rk3=50,&end &rst iat=290,307,312,313,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1, rk2=50,rk3=50,&end &rst iat=308,307,312,313,r1=-59.8,r2=-49.8,r3=-44.8,r4=-34.8,&end # from T5 and T11 ================================================= &rst iat=124,127,128,131,r1=151.0,r2=161.0,r3=166.0,r4=176.0, rk2=50,rk3=50,&end &rst iat=131,150,155,156,r1=-176.0,r2=-166.0,r3=-161.0,r4=-151.0, rk2=50,rk3=50,&end &rst iat=151,150,155,156,r1=-54.1,r2=-44.1,r3=-39.1,r4=-29.1,&end &rst iat=313,316,317,320,r1=151.0,r2=161.0,r3=166.0,r4=176.0, rk2=50,rk3=50,&end &rst iat=320,339,344,345,r1=-176.0,r2=-166.0,r3=-161.0,r4=-151.0, rk2=50,rk3=50,&end &rst iat=340,339,344,345,r1=-54.1,r2=-44.1,r3=-39.1,r4=-29.1,&end # from G6 and G12 ================================================== &rst iat=156,159,160,163,r1=147.6,r2=157.6,r3=162.6,r4=172.6, rk2=50,rk3=50,&end &rst iat=345,348,349,352,r1=147.6,r2=157.6,r3=162.6,r4=172.6, rk2=50,rk3=50,&end
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