NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	13414	1uqc	cing	1-original	4	AMBER	dihedral angle

# sequence: d(CACGTG)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=-163.1,r2=-153.1,r3=-148.1,r4=-138.1,
       rk2=50,rk3=50,&end
 &rst  iat=195,212,217,218,r1=-163.1,r2=-153.1,r3=-148.1,r4=-138.1,&end
 &rst  iat=24,23,28,29,r1=-41.3,r2=-31.3,r3=-26.3,r4=-16.3,&end
 &rst  iat=213,212,217,218,r1=-41.3,r2=-31.3,r3=-26.3,r4=-16.3,&end
# from A2 and A8   =================================================
 &rst  iat=29,32,33,36,r1=155.1,r2=165.1,r3=170.1,r4=180.1,
       rk2=50,rk3=50,&end
 &rst  iat=36,55,60,61,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1,
       rk2=50,rk3=50,&end
 &rst  iat=56,55,60,61,r1=-59.8,r2=-49.8,r3=-44.8,r4=-34.8,&end
 &rst  iat=218,221,222,225,r1=155.1,r2=165.1,r3=170.1,r4=180.1,
       rk2=50,rk3=50,&end
 &rst  iat=225,244,249,250,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1,
       rk2=50,rk3=50,&end
 &rst  iat=245,244,249,250,r1=-59.8,r2=-49.8,r3=-44.8,r4=-34.8,&end
# from C3 and C9   =================================================
 &rst  iat=61,64,65,68,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=68,85,90,91,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=86,85,90,91,r1=-53.6,r2=-43.6,r3=-38.6,r4=-28.6,&end
 &rst  iat=250,253,254,257,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=257,274,279,280,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=275,274,279,280,r1=-53.6,r2=-43.6,r3=-38.6,r4=-28.6,&end
# from G4 and G10   =================================================
 &rst  iat=91,94,95,98,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=98,118,123,124,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=119,118,123,124,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
 &rst  iat=280,283,284,287,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=287,307,312,313,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=308,307,312,313,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
# from T5 and T11   =================================================
 &rst  iat=124,127,128,131,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=131,150,155,156,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=151,150,155,156,r1=-58.2,r2=-48.2,r3=-43.2,r4=-33.2,&end
 &rst  iat=313,316,317,320,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=320,339,344,345,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=340,339,344,345,r1=-58.2,r2=-48.2,r3=-43.2,r4=-33.2,&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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