NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
13420 1uqd cing 1-original 4 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=-27.6,r2=-17.6,r3=-12.6,r4=-2.6,rk2=50,rk3=50,&end
 &rst  iat=8,9,25,23,r1=17.3,r2=27.3,r3=32.3,r4=42.3,&end
 &rst  iat=9,25,23,6,r1=-44.3,r2=-34.3,r3=-29.3,r4=-19.3,&end
 &rst  iat=25,23,6,8,r1=12.0,r2=22.0,r3=27.0,r4=37.0,&end
 &rst  iat=23,6,8,9,r1=-18.9,r2=-8.9,r3=-3.9,r4=6.1,&end
#
 &rst  iat=195,197,198,214,r1=-27.6,r2=-17.6,r3=-12.6,r4=-2.6,&end
 &rst  iat=197,198,214,212,r1=17.3,r2=27.3,r3=32.3,r4=42.3,&end
 &rst  iat=198,214,212,195,r1=-44.3,r2=-34.3,r3=-29.3,r4=-19.3,&end
 &rst  iat=214,212,195,197,r1=12.0,r2=22.0,r3=27.0,r4=37.0,&end
 &rst  iat=212,195,197,198,r1=-18.9,r2=-8.9,r3=-3.9,r4=6.1,&end

# sugar torsion G2,G8
 &rst  iat=36,38,39,58,r1=-37.7,r2=-27.7,r3=-22.7,r4=-12.7,&end
 &rst  iat=38,39,58,56,r1=25.1,r2=35.1,r3=40.1,r4=50.1,&end
 &rst  iat=39,58,56,36,r1=-46.9,r2=-36.9,r3=-31.9,r4=-21.9,&end
 &rst  iat=58,56,36,38,r1=9.0,r2=19.0,r3=24.0,r4=34.0,&end
 &rst  iat=56,36,38,39,r1=-10.4,r2=-0.4,r3=4.6,r4=14.6,&end
#
 &rst  iat=225,227,228,247,r1=-37.7,r2=-27.7,r3=-22.7,r4=-12.7,&end
 &rst  iat=227,228,247,245,r1=25.1,r2=35.1,r3=40.1,r4=50.1,&end
 &rst  iat=228,247,245,225,r1=-46.9,r2=-36.9,r3=-31.9,r4=-21.9,&end
 &rst  iat=247,245,225,227,r1=9.0,r2=19.0,r3=24.0,r4=34.0,&end
 &rst  iat=245,225,227,228,r1=-10.4,r2=-0.4,r3=4.6,r4=14.6,&end

# sugar torsion A3,A9
 &rst  iat=69,71,72,90,r1=-32.3,r2=-22.3,r3=-17.3,r4=-7.3,&end
 &rst  iat=71,72,90,88,r1=21.5,r2=31.5,r3=36.5,r4=46.5,&end
 &rst  iat=72,90,88,69,r1=-46.4,r2=-36.4,r3=-31.4,r4=-21.4,&end
 &rst  iat=90,88,69,71,r1=11.7,r2=21.7,r3=26.7,r4=36.7,&end
 &rst  iat=88,69,71,72,r1=-15.4,r2=-5.4,r3=-0.4,r4=9.6,&end
#
 &rst  iat=258,260,261,279,r1=-32.3,r2=-22.3,r3=-17.3,r4=-7.3,&end
 &rst  iat=260,261,279,277,r1=21.5,r2=31.5,r3=36.5,r4=46.5,&end
 &rst  iat=261,279,277,258,r1=-46.4,r2=-36.4,r3=-31.4,r4=-21.4,&end
 &rst  iat=279,277,258,260,r1=11.7,r2=21.7,r3=26.7,r4=36.7,&end
 &rst  iat=277,258,260,261,r1=-15.4,r2=-5.4,r3=-0.4,r4=9.6,&end

# sugar torsion T4,T10
 &rst  iat=101,103,104,122,r1=-33.7,r2=-23.7,r3=-18.7,r4=-8.7,&end
 &rst  iat=103,104,122,120,r1=21.5,r2=31.5,r3=36.5,r4=46.5,&end
 &rst  iat=104,122,120,101,r1=-45.3,r2=-35.3,r3=-30.3,r4=-20.3,&end
 &rst  iat=122,120,101,103,r1=9.5,r2=19.5,r3=24.5,r4=34.5,&end
 &rst  iat=120,101,103,104,r1=-13.2,r2=-3.2,r3=1.8,r4=11.8,&end
#
 &rst  iat=290,292,293,311,r1=-33.7,r2=-23.7,r3=-18.7,r4=-8.7,&end
 &rst  iat=292,293,311,309,r1=21.5,r2=31.5,r3=36.5,r4=46.5,&end
 &rst  iat=293,311,309,290,r1=-45.3,r2=-35.3,r3=-30.3,r4=-20.3,&end
 &rst  iat=311,309,290,292,r1=9.5,r2=19.5,r3=24.5,r4=34.5,&end
 &rst  iat=309,290,292,293,r1=-13.2,r2=-3.2,r3=1.8,r4=11.8,&end

# sugar torsion C5,C11
 &rst  iat=133,135,136,152,r1=-26.9,r2=-16.9,r3=-11.9,r4=-1.9,&end
 &rst  iat=135,136,152,150,r1=16.8,r2=26.8,r3=31.8,r4=41.8,&end
 &rst  iat=136,152,150,133,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=152,150,133,135,r1=14.1,r2=24.1,r3=29.1,r4=39.1,&end
 &rst  iat=150,133,135,136,r1=-21.1,r2=-11.1,r3=-6.1,r4=3.9,&end
#
 &rst  iat=322,324,325,341,r1=-26.9,r2=-16.9,r3=-11.9,r4=-1.9,&end
 &rst  iat=324,325,341,339,r1=16.8,r2=26.8,r3=31.8,r4=41.8,&end
 &rst  iat=325,341,339,322,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=341,339,322,324,r1=14.1,r2=24.1,r3=29.1,r4=39.1,&end
 &rst  iat=339,322,324,325,r1=-21.1,r2=-11.1,r3=-6.1,r4=3.9,&end

# sugar torsion G6,G12
 &rst  iat=163,165,166,185,r1=-25.7,r2=-15.7,r3=-10.7,r4=-0.7,&end
 &rst  iat=165,166,185,183,r1=16.7,r2=26.7,r3=31.7,r4=41.7,&end
 &rst  iat=166,185,183,163,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=185,183,163,165,r1=14.1,r2=24.1,r3=29.1,r4=39.1,&end
 &rst  iat=183,163,165,166,r1=-21.1,r2=-11.1,r3=-6.1,r4=3.9,&end
#
 &rst  iat=352,354,355,374,r1=-25.7,r2=-15.7,r3=-10.7,r4=-0.7,&end
 &rst  iat=354,355,374,372,r1=16.7,r2=26.7,r3=31.7,r4=41.7,&end
 &rst  iat=355,374,372,352,r1=-45.1,r2=-35.1,r3=-30.1,r4=-20.1,&end
 &rst  iat=374,372,352,354,r1=14.1,r2=24.1,r3=29.1,r4=39.1,&end
 &rst  iat=372,352,354,355,r1=-21.1,r2=-11.1,r3=-6.1,r4=3.9,&end




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