NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
476130 1buf cing 1-original 2 AMBER dihedral angle


# sugar torsion from J-value (modified Karplus Equation) error +-0.5Hz
# JrMM derived sugar torsion, range +-2.5 degrees, ext. 10 degrees
# sugar torsion C1,C7 , rk2, rk3 = 5 x kdist (10) = 50
 &rst  iat=6,8,9,25,r1=-28.4,r2=-18.4,r3=-13.4,r4=-3.4,rk2=50,rk3=50,&end
 &rst  iat=8,9,25,23,r1=17.8,r2=27.8,r3=32.8,r4=42.8,&end
 &rst  iat=9,25,23,6,r1=-44.5,r2=-34.5,r3=-29.5,r4=-19.5,&end
 &rst  iat=25,23,6,8,r1=11.7,r2=21.7,r3=26.7,r4=36.7,&end
 &rst  iat=23,6,8,9,r1=-17.9,r2=-7.9,r3=-2.9,r4=7.1,&end
#
 &rst  iat=196,198,199,215,r1=-28.4,r2=-18.4,r3=-13.4,r4=-3.4,&end
 &rst  iat=198,199,215,213,r1=17.8,r2=27.8,r3=32.8,r4=42.8,&end
 &rst  iat=199,215,213,196,r1=-44.5,r2=-34.5,r3=-29.5,r4=-19.5,&end
 &rst  iat=215,213,196,198,r1=11.7,r2=21.7,r3=26.7,r4=36.7,&end
 &rst  iat=213,196,198,199,r1=-17.9,r2=-7.9,r3=-2.9,r4=7.1,&end

# sugar torsion A2,A8
 &rst  iat=36,38,39,57,r1=-28.6,r2=-18.6,r3=-13.6,r4=-3.6,&end
 &rst  iat=38,39,57,55,r1=18.9,r2=28.9,r3=33.9,r4=43.9,&end
 &rst  iat=39,57,55,36,r1=-45.7,r2=-35.7,r3=-30.7,r4=-20.7,&end
 &rst  iat=57,55,36,38,r1=13.1,r2=23.1,r3=28.1,r4=38.1,&end
 &rst  iat=55,36,38,39,r1=-18.6,r2=-8.6,r3=-3.6,r4=6.4,&end
#
 &rst  iat=226,228,229,247,r1=-28.6,r2=-18.6,r3=-13.6,r4=-3.6,&end
 &rst  iat=228,229,247,245,r1=18.9,r2=28.9,r3=33.9,r4=43.9,&end
 &rst  iat=229,247,245,226,r1=-45.7,r2=-35.7,r3=-30.7,r4=-20.7,&end
 &rst  iat=247,245,226,228,r1=13.1,r2=23.1,r3=28.1,r4=38.1,&end
 &rst  iat=245,226,228,229,r1=-18.6,r2=-8.6,r3=-3.6,r4=6.4,&end

# sugar torsion A3,A9
 &rst  iat=68,70,71,89,r1=-33.9,r2=-23.9,r3=-18.9,r4=-8.9,&end
 &rst  iat=70,71,89,87,r1=22.7,r2=32.7,r3=37.7,r4=47.7,&end
 &rst  iat=71,89,87,68,r1=-46.8,r2=-36.8,r3=-31.8,r4=-21.8,&end
 &rst  iat=89,87,68,70,r1=11.1,r2=21.1,r3=26.1,r4=36.1,&end
 &rst  iat=87,68,70,71,r1=-14.1,r2=-4.1,r3=0.9,r4=10.9,&end
#
 &rst  iat=258,260,261,279,r1=-33.9,r2=-23.9,r3=-18.9,r4=-8.9,&end
 &rst  iat=260,261,279,277,r1=22.7,r2=32.7,r3=37.7,r4=47.7,&end
 &rst  iat=261,279,277,258,r1=-46.8,r2=-36.8,r3=-31.8,r4=-21.8,&end
 &rst  iat=279,277,258,260,r1=11.1,r2=21.1,r3=26.1,r4=36.1,&end
 &rst  iat=277,258,260,261,r1=-14.1,r2=-4.1,r3=0.9,r4=10.9,&end

# sugar torsion T4,T10
 &rst  iat=100,102,103,121,r1=-33.1,r2=-23.1,r3=-18.1,r4=-8.1,&end
 &rst  iat=102,103,121,119,r1=21.1,r2=31.1,r3=36.1,r4=46.1,&end
 &rst  iat=103,121,119,100,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=121,119,100,102,r1=9.7,r2=19.7,r3=24.7,r4=34.7,&end
 &rst  iat=119,100,102,103,r1=-13.7,r2=-3.7,r3=1.3,r4=11.3,&end
#
 &rst  iat=290,292,293,311,r1=-33.1,r2=-23.1,r3=-18.1,r4=-8.1,&end
 &rst  iat=292,293,311,309,r1=21.1,r2=31.1,r3=36.1,r4=46.1,&end
 &rst  iat=293,311,309,290,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=311,309,290,292,r1=9.7,r2=19.7,r3=24.7,r4=34.7,&end
 &rst  iat=309,290,292,293,r1=-13.7,r2=-3.7,r3=1.3,r4=11.3,&end

# sugar torsion T5,T11
 &rst  iat=132,134,135,153,r1=-33.1,r2=-23.1,r3=-18.1,r4=-8.1,&end
 &rst  iat=134,135,153,151,r1=21.1,r2=31.1,r3=36.1,r4=46.1,&end
 &rst  iat=135,153,151,132,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=153,151,132,134,r1=9.7,r2=19.7,r3=24.7,r4=34.7,&end
 &rst  iat=151,132,134,135,r1=-13.7,r2=-3.7,r3=1.3,r4=11.3,&end
#
 &rst  iat=322,324,325,343,r1=-33.1,r2=-23.1,r3=-18.1,r4=-8.1,&end
 &rst  iat=324,325,343,341,r1=21.1,r2=31.1,r3=36.1,r4=46.1,&end
 &rst  iat=325,343,341,322,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=343,341,322,324,r1=9.7,r2=19.7,r3=24.7,r4=34.7,&end
 &rst  iat=341,322,324,325,r1=-13.7,r2=-3.7,r3=1.3,r4=11.3,&end

# sugar torsion G6,G12
 &rst  iat=164,166,167,186,r1=-23.4,r2=-13.4,r3=-8.4,r4=1.6,&end
 &rst  iat=166,167,186,184,r1=15.0,r2=25.0,r3=30.0,r4=40.0,&end
 &rst  iat=167,186,184,164,r1=-44.6,r2=-34.6,r3=-29.6,r4=-19.6,&end
 &rst  iat=186,184,164,166,r1=15.0,r2=25.0,r3=30.0,r4=40.0,&end
 &rst  iat=184,164,166,167,r1=-23.1,r2=-13.1,r3=-8.1,r4=1.9,&end
#
 &rst  iat=354,356,357,376,r1=-23.4,r2=-13.4,r3=-8.4,r4=1.6,&end
 &rst  iat=356,357,376,374,r1=15.0,r2=25.0,r3=30.0,r4=40.0,&end
 &rst  iat=357,376,374,354,r1=-44.6,r2=-34.6,r3=-29.6,r4=-19.6,&end
 &rst  iat=376,374,354,356,r1=15.0,r2=25.0,r3=30.0,r4=40.0,&end
 &rst  iat=374,354,356,357,r1=-23.1,r2=-13.1,r3=-8.1,r4=1.9,&end



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Contact the webmaster for help, if required. Tuesday, January 23, 2018 2:16:04 AM CST (wattos1)