NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	13431	1uqf	cing	1-original	3	AMBER	dihedral angle

# 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.
## sequence: d(CGGCCG)2
# from C1 and C7   =================================================
 &rst  iat=6,23,28,29,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,
       rk2=50,rk3=50,&end
 &rst  iat=194,211,216,217,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,&end
 &rst  iat=24,23,28,29,r1=-50.5,r2=-40.5,r3=-35.5,r4=-25.5,&end
 &rst  iat=212,211,216,217,r1=-50.5,r2=-40.5,r3=-35.5,r4=-25.5,&end
# from G2 and G8   =================================================
 &rst  iat=29,32,33,36,r1=144.7,r2=154.7,r3=159.7,r4=169.7,
       rk2=50,rk3=50,&end
 &rst  iat=36,56,61,62,r1=-169.7,r2=-159.7,r3=-154.7,r4=-144.7,
       rk2=50,rk3=50,&end
 &rst  iat=57,56,61,62,r1=-49.7,r2=-39.7,r3=-34.7,r4=-24.7,&end
 &rst  iat=217,220,221,224,r1=144.7,r2=154.7,r3=159.7,r4=169.7,
       rk2=50,rk3=50,&end
 &rst  iat=224,244,249,250,r1=-169.7,r2=-159.7,r3=-154.7,r4=-144.7,
       rk2=50,rk3=50,&end
 &rst  iat=245,244,249,250,r1=-49.7,r2=-39.7,r3=-34.7,r4=-24.7,&end
# from G3 and G9   =================================================
 &rst  iat=62,65,66,69,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=69,89,94,95,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=90,89,94,95,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
 &rst  iat=250,253,254,257,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=257,277,282,283,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=278,277,282,283,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
# from C4 and C10   =================================================
 &rst  iat=95,98,99,102,r1=156.8,r2=166.8,r3=171.8,r4=181.8,
       rk2=50,rk3=50,&end
 &rst  iat=102,119,124,125,r1=-181.8,r2=-171.8,r3=-166.8,r4=-156.8,
       rk2=50,rk3=50,&end
 &rst  iat=120,119,124,125,r1=-61.4,r2=-51.4,r3=-46.4,r4=-36.4,&end
 &rst  iat=283,286,287,290,r1=156.8,r2=166.8,r3=171.8,r4=181.8,
       rk2=50,rk3=50,&end
 &rst  iat=290,307,312,313,r1=-181.8,r2=-171.8,r3=-166.8,r4=-156.8,
       rk2=50,rk3=50,&end
 &rst  iat=308,307,312,313,r1=-61.4,r2=-51.4,r3=-46.4,r4=-36.4,&end
# from C5 and C11   =================================================
 &rst  iat=125,128,129,132,r1=142.9,r2=152.9,r3=157.9,r4=167.9,
       rk2=50,rk3=50,&end
 &rst  iat=132,149,154,155,r1=-167.9,r2=-157.9,r3=-152.9,r4=-142.9,
       rk2=50,rk3=50,&end
 &rst  iat=150,149,154,155,r1=-46.8,r2=-36.8,r3=-31.8,r4=-21.8,&end
 &rst  iat=313,316,317,320,r1=142.9,r2=152.9,r3=157.9,r4=167.9,
       rk2=50,rk3=50,&end
 &rst  iat=320,337,342,343,r1=-167.9,r2=-157.9,r3=-152.9,r4=-142.9,
       rk2=50,rk3=50,&end
 &rst  iat=338,337,342,343,r1=-46.8,r2=-36.8,r3=-31.8,r4=-21.8,&end
# from G6 and G12  ==================================================
 &rst  iat=155,158,159,162,r1=-160.9,r2=-150.9,r3=-145.9,r4=-135.9,
       rk2=50,rk3=50,&end
 &rst  iat=343,346,347,350,r1=-160.9,r2=-150.9,r3=-145.9,r4=-135.9,
       rk2=50,rk3=50,&end

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