NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype
5282 1h0q cing 1-original 2 AMBER stereochemistry chirality


#chiral restraints
#
#
#
#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=1,1,1,1, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'",
   r1=10., r2=60., r3=80., r4=130.,
   rk2 = 10., rk3=10., iresid=1, &end
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=1,1,1,1, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 2 atoms:  C2' O4' N1 H1'
 &rst iat=2,2,2,2, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=2,2,2,2, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 3 atoms:  C2' O4' N9 H1'
 &rst iat=3,3,3,3, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=3,3,3,3, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=4,4,4,4, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=4,4,4,4, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 5 atoms:  C2' O4' N1 H1'
 &rst iat=5,5,5,5, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=5,5,5,5, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 6 atoms:  C2' O4' N9 H1'
 &rst iat=6,6,6,6, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=6,6,6,6, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 7 atoms:  C2' O4' N1 H1'
 &rst iat=7,7,7,7, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=7,7,7,7, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 8 atoms:  C2' O4' N9 H1'
 &rst iat=8,8,8,8, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=8,8,8,8, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 9 atoms:  C2' O4' N1 H1'
 &rst iat=9,9,9,9, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 9 atoms:  O3' C2' C4' H3'
 &rst iat=9,9,9,9, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 10 atoms:  C2' O4' N9 H1'
 &rst iat=10,10,10,10, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 10 atoms:  C1' C3' O2' H2'1
 &rst iat=10,10,10,10, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 10 atoms:  O3' C2' C4' H3'
 &rst iat=10,10,10,10, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 10 atoms:  C3' C5' O4' H4'
 &rst iat=10,10,10,10, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 11 atoms:  C2' O4' N1 H1'
 &rst iat=11,11,11,11, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 11 atoms:  C1' C3' O2' H2'1
 &rst iat=11,11,11,11, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 11 atoms:  O3' C2' C4' H3'
 &rst iat=11,11,11,11, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 11 atoms:  C3' C5' O4' H4'
 &rst iat=11,11,11,11, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 12 atoms:  C2' O4' N9 H1'
 &rst iat=12,12,12,12, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 12 atoms:  C1' C3' O2' H2'1
 &rst iat=12,12,12,12, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 12 atoms:  O3' C2' C4' H3'
 &rst iat=12,12,12,12, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 12 atoms:  C3' C5' O4' H4'
 &rst iat=12,12,12,12, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 13 atoms:  C2' O4' N1 H1'
 &rst iat=13,13,13,13, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 13 atoms:  C1' C3' O2' H2'1
 &rst iat=13,13,13,13, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 13 atoms:  O3' C2' C4' H3'
 &rst iat=13,13,13,13, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 13 atoms:  C3' C5' O4' H4'
 &rst iat=13,13,13,13, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 14 atoms:  C2' O4' N9 H1'
 &rst iat=14,14,14,14, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 14 atoms:  C1' C3' O2' H2'1
 &rst iat=14,14,14,14, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 14 atoms:  O3' C2' C4' H3'
 &rst iat=14,14,14,14, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 14 atoms:  C3' C5' O4' H4'
 &rst iat=14,14,14,14, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 15 atoms:  C2' O4' N1 H1'
 &rst iat=15,15,15,15, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 15 atoms:  C1' C3' O2' H2'1
 &rst iat=15,15,15,15, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 15 atoms:  O3' C2' C4' H3'
 &rst iat=15,15,15,15, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 15 atoms:  C3' C5' O4' H4'
 &rst iat=15,15,15,15, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 16 atoms:  C2' O4' N1 H1'
 &rst iat=16,16,16,16, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N1", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 16 atoms:  C1' C3' O2' H2'1
 &rst iat=16,16,16,16, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 16 atoms:  O3' C2' C4' H3'
 &rst iat=16,16,16,16, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 16 atoms:  C3' C5' O4' H4'
 &rst iat=16,16,16,16, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 17 atoms:  C2' O4' N9 H1'
 &rst iat=17,17,17,17, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 17 atoms:  C1' C3' O2' H2'1
 &rst iat=17,17,17,17, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 17 atoms:  O3' C2' C4' H3'
 &rst iat=17,17,17,17, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 17 atoms:  C3' C5' O4' H4'
 &rst iat=17,17,17,17, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#  chirality for residue 18 atoms:  C2' O4' N9 H1'
 &rst iat=18,18,18,18, atnam(1)="C2'", atnam(2)="O4'",
   atnam(3)="N9", atnam(4)="H1'", iresid=1, &end
#  chirality for residue 18 atoms:  C1' C3' O2' H2'1
 &rst iat=18,18,18,18, atnam(1)="C1'", atnam(2)="C3'",
   atnam(3)="O2'", atnam(4)="H2'1", iresid=1, &end
#  chirality for residue 18 atoms:  O3' C2' C4' H3'
 &rst iat=18,18,18,18, atnam(1)="O3'", atnam(2)="C2'",
   atnam(3)="C4'", atnam(4)="H3'", iresid=1, &end
#  chirality for residue 18 atoms:  C3' C5' O4' H4'
 &rst iat=18,18,18,18, atnam(1)="C3'", atnam(2)="C5'",
   atnam(3)="O4'", atnam(4)="H4'", iresid=1, &end
#
#


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