NMR Restraints Grid |
Result table
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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