NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

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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