NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
595258 2mvy 25291 cing 1-original 2 XPLOR/CNS dihedral angle


{Normal RNA torsion angle constraints}

REStraints
DIHEdral
reset

{keep amino groups in the plane of the base}

assign (residue 1 and name h22) (residue 1 and name n2)
        (residue 1 and name c2) (residue 1 and name n3) 10 0 5 2

assign (residue 2 and name h22) (residue 2 and name n2)
        (residue 2 and name c2) (residue 2 and name n3) 10 0 5 2

assign (residue 3 and name h61) (residue 3 and name n6)
        (residue 3 and name c6) (residue 3 and name c5) 10 180 5 2

assign (residue 4 and name h42) (residue 4 and name n4)
        (residue 4 and name c4) (residue 4 and name c5) 10 0 5 2

assign (residue 6 and name h62) (residue 6 and name n6)
        (residue 6 and name c6) (residue 6 and name c5) 10 0 5 2

assign (residue 7 and name h22) (residue 7 and name n2)
        (residue 7 and name c2) (residue 7 and name n3) 10 0 5 2

assign (residue 9 and name h42) (residue 9 and name n4)
        (residue 9 and name c4) (residue 9 and name c5) 10 0 5 2

assign (residue 10 and name h42) (residue 10 and name n4)
        (residue 10 and name c4) (residue 10 and name c5) 10 0 5 2


assign (residue 11 and name h22) (residue 11 and name n2)
        (residue 11 and name c2) (residue 11 and name n3) 10 0 5 2

assign (residue 12 and name h22) (residue 12 and name n2)
        (residue 12 and name c2) (residue 12 and name n3) 10 0 5 2

assign (residue 13 and name h61) (residue 13 and name n6)
        (residue 13 and name c6) (residue 13 and name c5) 10 180 5 2

assign (residue 14 and name h42) (residue 14 and name n4)
        (residue 14 and name c4) (residue 14 and name c5) 10 0 5 2

assign (residue 16 and name h62) (residue 16 and name n6)
        (residue 16 and name c6) (residue 16 and name c5) 10 0 5 2

assign (residue 17 and name h22) (residue 17 and name n2)
        (residue 17 and name c2) (residue 17 and name n3) 10 0 5 2

assign (residue 19 and name h42) (residue 19 and name n4)
        (residue 19 and name c4) (residue 19 and name c5) 10 0 5 2

assign (residue 20 and name h42) (residue 20 and name n4)
        (residue 20 and name c4) (residue 20 and name c5) 10 0 5 2




{Restrain Specific Nucleotides to 3' endo}

assign (residue 1 and name c4') (residue 1 and name o4')
        (residue 1 and name c1') (residue 1 and name c2') 2 0 5 2
assign (residue 1 and name o4') (residue 1 and name c1') 
        (residue 1 and name c2') (residue 1 and name c3') 2 -22 5 2
assign (residue 1 and name c1') (residue 1 and name c2') 
        (residue 1 and name c3') (residue 1 and name c4') 2 36 5 2
assign (residue 1 and name c2') (residue 1 and name c3') 
        (residue 1 and name c4') (residue 1 and name o4') 2 -36 5 2

assign (residue 2 and name c4') (residue 2 and name o4')
        (residue 2 and name c1') (residue 2 and name c2') 2 0 5 2
assign (residue 2 and name o4') (residue 2 and name c1') 
        (residue 2 and name c2') (residue 2 and name c3') 2 -22 5 2
assign (residue 2 and name c1') (residue 2 and name c2') 
        (residue 2 and name c3') (residue 2 and name c4') 2 36 5 2
assign (residue 2 and name c2') (residue 2 and name c3') 
        (residue 2 and name c4') (residue 2 and name o4') 2 -36 5 2

assign (residue 3 and name c4') (residue 3 and name o4') 
        (residue 3 and name c1') (residue 3 and name c2') 2 0 5 2
assign (residue 3 and name o4') (residue 3 and name c1') 
        (residue 3 and name c2') (residue 3 and name c3') 2 -22 5 2
assign (residue 3 and name c1') (residue 3 and name c2') 
        (residue 3 and name c3') (residue 3 and name c4') 2 36 5 2
assign (residue 3 and name c2') (residue 3 and name c3') 
        (residue 3 and name c4') (residue 3 and name o4') 2 -36 5 2

assign (residue 4 and name c4') (residue 4 and name o4') 
        (residue 4 and name c1') (residue 4 and name c2') 2 0 5 2
assign (residue 4 and name o4') (residue 4 and name c1') 
        (residue 4 and name c2') (residue 4 and name c3') 2 -22 5 2
assign (residue 4 and name c1') (residue 4 and name c2') 
        (residue 4 and name c3') (residue 4 and name c4') 2 36 5 2
assign (residue 4 and name c2') (residue 4 and name c3') 
        (residue 4 and name c4') (residue 4 and name o4') 2 -36 5 2

assign (residue 5 and name c4') (residue 5 and name o4') 
        (residue 5 and name c1') (residue 5 and name c2') 2 0 5 2
assign (residue 5 and name o4') (residue 5 and name c1') 
        (residue 5 and name c2') (residue 5 and name c3') 2 -22 5 2
assign (residue 5 and name c1') (residue 5 and name c2') 
        (residue 5 and name c3') (residue 5 and name c4') 2 36 5 2
assign (residue 5 and name c2') (residue 5 and name c3') 
        (residue 5 and name c4') (residue 5 and name o4') 2 -36 5 2

assign (residue 6 and name c4') (residue 6 and name o4') 
        (residue 6 and name c1') (residue 6 and name c2') 2 0 5 2
assign (residue 6 and name o4') (residue 6 and name c1') 
        (residue 6 and name c2') (residue 6 and name c3') 2 -22 5 2
assign (residue 6 and name c1') (residue 6 and name c2') 
        (residue 6 and name c3') (residue 6 and name c4') 2 36 5 2
assign (residue 6 and name c2') (residue 6 and name c3') 
        (residue 6 and name c4') (residue 6 and name o4') 2 -36 5 2

assign (residue 7 and name c4') (residue 7 and name o4') 
        (residue 7 and name c1') (residue 7 and name c2') 2 0 5 2
assign (residue 7 and name o4') (residue 7 and name c1') 
        (residue 7 and name c2') (residue 7 and name c3') 2 -22 5 2
assign (residue 7 and name c1') (residue 7 and name c2') 
        (residue 7 and name c3') (residue 7 and name c4') 2 36 5 2
assign (residue 7 and name c2') (residue 7 and name c3') 
        (residue 7 and name c4') (residue 7 and name o4') 2 -36 5 2

assign (residue 8 and name c4') (residue 8 and name o4')
        (residue 8 and name c1') (residue 8 and name c2') 2 0 5 2
assign (residue 8 and name o4') (residue 8 and name c1') 
        (residue 8 and name c2') (residue 8 and name c3') 2 -22 5 2
assign (residue 8 and name c1') (residue 8 and name c2') 
        (residue 8 and name c3') (residue 8 and name c4') 2 36 5 2
assign (residue 8 and name c2') (residue 8 and name c3') 
        (residue 8 and name c4') (residue 8 and name o4') 2 -36 5 2

assign (residue 9 and name c4') (residue 9 and name o4')
        (residue 9 and name c1') (residue 9 and name c2') 2 0 5 2
assign (residue 9 and name o4') (residue 9 and name c1') 
        (residue 9 and name c2') (residue 9 and name c3') 2 -22 5 2
assign (residue 9 and name c1') (residue 9 and name c2') 
        (residue 9 and name c3') (residue 9 and name c4') 2 36 5 2
assign (residue 9 and name c2') (residue 9 and name c3') 
        (residue 9 and name c4') (residue 9 and name o4') 2 -36 5 2

assign (residue 10 and name c4') (residue 10 and name o4') 
        (residue 10 and name c1') (residue 10 and name c2') 2 0 5 2 
assign (residue 10 and name o4') (residue 10 and name c1') 
        (residue 10 and name c2') (residue 10 and name c3')  2 -22 5 2
assign (residue 10 and name c1') (residue 10 and name c2') 
        (residue 10 and name c3') (residue 10 and name c4') 2 36 5 2
assign (residue 10 and name c2') (residue 10 and name c3') 
        (residue 10 and name c4') (residue 10 and name o4') 2 -36 5 2

assign (residue 11 and name c4') (residue 11 and name o4') 
        (residue 11 and name c1') (residue 11 and name c2') 2 0 5 2 
assign (residue 11 and name o4') (residue 11 and name c1') 
        (residue 11 and name c2') (residue 11 and name c3')  2 -22 5 2
assign (residue 11 and name c1') (residue 11 and name c2') 
        (residue 11 and name c3') (residue 11 and name c4') 2 36 5 2
assign (residue 11 and name c2') (residue 11 and name c3') 
        (residue 11 and name c4') (residue 11 and name o4') 2 -36 5 2

assign (residue 12 and name c4') (residue 12 and name o4') 
        (residue 12 and name c1') (residue 12 and name c2') 2 0 5 2 
assign (residue 12 and name o4') (residue 12 and name c1') 
        (residue 12 and name c2') (residue 12 and name c3')  2 -22 5 2
assign (residue 12 and name c1') (residue 12 and name c2') 
        (residue 12 and name c3') (residue 12 and name c4') 2 36 5 2
assign (residue 12 and name c2') (residue 12 and name c3') 
        (residue 12 and name c4') (residue 12 and name o4') 2 -36 5 2

assign (residue 13 and name c4') (residue 13 and name o4') 
        (residue 13 and name c1') (residue 13 and name c2') 2 0 5 2 
assign (residue 13 and name o4') (residue 13 and name c1') 
        (residue 13 and name c2') (residue 13 and name c3')  2 -22 5 2
assign (residue 13 and name c1') (residue 13 and name c2') 
        (residue 13 and name c3') (residue 13 and name c4') 2 36 5 2
assign (residue 13 and name c2') (residue 13 and name c3') 
        (residue 13 and name c4') (residue 13 and name o4') 2 -36 5 2

assign (residue 14 and name c4') (residue 14 and name o4') 
        (residue 14 and name c1') (residue 14 and name c2') 2 0 5 2 
assign (residue 14 and name o4') (residue 14 and name c1') 
        (residue 14 and name c2') (residue 14 and name c3')  2 -22 5 2
assign (residue 14 and name c1') (residue 14 and name c2') 
        (residue 14 and name c3') (residue 14 and name c4') 2 36 5 2
assign (residue 14 and name c2') (residue 14 and name c3') 
        (residue 14 and name c4') (residue 14 and name o4') 2 -36 5 2

assign (residue 15 and name c4') (residue 15 and name o4') 
        (residue 15 and name c1') (residue 15 and name c2') 2 0 5 2
assign (residue 15 and name o4') (residue 15 and name c1') 
        (residue 15 and name c2') (residue 15 and name c3') 2 -22 5 2
assign (residue 15 and name c1') (residue 15 and name c2') 
        (residue 15 and name c3') (residue 15 and name c4') 2 36 5 2
assign (residue 15 and name c2') (residue 15 and name c3') 
        (residue 15 and name c4') (residue 15 and name o4') 2 -36 5 2

assign (residue 16 and name c4') (residue 16 and name o4') 
        (residue 16 and name c1') (residue 16 and name c2') 2 0 5 2
assign (residue 16 and name o4') (residue 16 and name c1') 
        (residue 16 and name c2') (residue 16 and name c3') 2 -22 5 2
assign (residue 16 and name c1') (residue 16 and name c2') 
        (residue 16 and name c3') (residue 16 and name c4') 2 36 5 2
assign (residue 16 and name c2') (residue 16 and name c3') 
        (residue 16 and name c4') (residue 16 and name o4') 2 -36 5 2

assign (residue 17 and name c4') (residue 17 and name o4')
        (residue 17 and name c1') (residue 17 and name c2') 2 0 5 2
assign (residue 17 and name o4') (residue 17 and name c1') 
        (residue 17 and name c2') (residue 17 and name c3') 2 -22 5 2
assign (residue 17 and name c1') (residue 17 and name c2') 
        (residue 17 and name c3') (residue 17 and name c4') 2 36 5 2
assign (residue 17 and name c2') (residue 17 and name c3') 
        (residue 17 and name c4') (residue 17 and name o4') 2 -36 5 2

assign (residue 18 and name c4') (residue 18 and name o4') 
        (residue 18 and name c1') (residue 18 and name c2') 2 0 5 2
assign (residue 18 and name o4') (residue 18 and name c1') 
        (residue 18 and name c2') (residue 18 and name c3') 2 -22 5 2
assign (residue 18 and name c1') (residue 18 and name c2') 
        (residue 18 and name c3') (residue 18 and name c4') 2 36 5 2
assign (residue 18 and name c2') (residue 18 and name c3') 
        (residue 18 and name c4') (residue 18 and name o4') 2 -36 5 2

assign (residue 19 and name c4') (residue 19 and name o4') 
        (residue 19 and name c1') (residue 19 and name c2') 2 0 5 2
assign (residue 19 and name o4') (residue 19 and name c1') 
        (residue 19 and name c2') (residue 19 and name c3') 2 -22 5 2
assign (residue 19 and name c1') (residue 19 and name c2') 
        (residue 19 and name c3') (residue 19 and name c4') 2 36 5 2
assign (residue 19 and name c2') (residue 19 and name c3') 
        (residue 19 and name c4') (residue 19 and name o4') 2 -36 5 2

assign (residue 20 and name c4') (residue 20 and name o4') 
        (residue 20 and name c1') (residue 20 and name c2') 2 0 5 2
assign (residue 20 and name o4') (residue 20 and name c1') 
        (residue 20 and name c2') (residue 20 and name c3') 2 -22 5 2
assign (residue 20 and name c1') (residue 20 and name c2') 
        (residue 20 and name c3') (residue 20 and name c4') 2 36 5 2
assign (residue 20 and name c2') (residue 20 and name c3') 
        (residue 20 and name c4') (residue 20 and name o4') 2 -36 5 2



{Restrain the glycosidic torsion angle to anti or syn based upon 1'-H6/H8 and 2'-H6/H8 NOE}

assign (residue 1 and name o4') (residue 1 and name c1')
        (residue 1 and name n9) (residue 1 and name c4) 2 -110 70 2
assign (residue 2 and name o4') (residue 2 and name c1')
        (residue 2 and name n9) (residue 2 and name c4) 2 -110 70 2
assign (residue 3 and name o4') (residue 3 and name c1')
        (residue 3 and name n9) (residue 3 and name c4) 2 -110 70 2
assign (residue 4 and name o4') (residue 4 and name c1')
        (residue 4 and name n1) (residue 4 and name c2) 2 -110 70 2
assign (residue 5 and name o4') (residue 5 and name c1')
        (residue 5 and name n1) (residue 5 and name c2) 2 -110 70 2
assign (residue 6 and name o4') (residue 6 and name c1')
        (residue 6 and name n9) (residue 6 and name c4) 2 -110 70 2
assign (residue 7 and name o4') (residue 7 and name c1')
        (residue 7 and name n9) (residue 7 and name c4) 2 -130 50 2
assign (residue 8 and name o4') (residue 8 and name c1')
        (residue 8 and name n1) (residue 8 and name c2) 2 -110 70 2
assign (residue 9 and name o4') (residue 9 and name c1')
        (residue 9 and name n1) (residue 9 and name c2) 2 -110 70 2
assign (residue 10 and name o4') (residue 10 and name c1')
        (residue 10 and name n1) (residue 10 and name c2) 2 -110 70 2

assign (residue 11 and name o4') (residue 11 and name c1')
        (residue 11 and name n9) (residue 11 and name c4) 2 -110 70 2
assign (residue 12 and name o4') (residue 12 and name c1')
        (residue 12 and name n9) (residue 12 and name c4) 2 -110 70 2
assign (residue 13 and name o4') (residue 13 and name c1')
        (residue 13 and name n9) (residue 13 and name c4) 2 -110 70 2
assign (residue 14 and name o4') (residue 14 and name c1')
        (residue 14 and name n1) (residue 14 and name c2) 2 -110 70 2
assign (residue 15 and name o4') (residue 15 and name c1')
        (residue 15 and name n1) (residue 15 and name c2) 2 -110 70 2
assign (residue 16 and name o4') (residue 16 and name c1')
        (residue 16 and name n9) (residue 16 and name c4) 2 -110 70 2
assign (residue 17 and name o4') (residue 17 and name c1')
        (residue 17 and name n9) (residue 17 and name c4) 2 -130 50 2
assign (residue 18 and name o4') (residue 18 and name c1')
        (residue 18 and name n1) (residue 18 and name c2) 2 -110 70 2
assign (residue 19 and name o4') (residue 19 and name c1')
        (residue 19 and name n1) (residue 19 and name c2) 2 -110 70 2
assign (residue 20 and name o4') (residue 20 and name c1')
        (residue 20 and name n1) (residue 20 and name c2) 2 -110 70 2


{Backbone Torsion Angle Beta}
{Used in Refinement only}

assign (residue 2 and name p) (residue 2 and name o5')
        (residue 2 and name c5') (residue 2 and name c4') 2 180 20 2
assign (residue 3 and name p) (residue 3 and name o5')
        (residue 3 and name c5') (residue 3 and name c4') 2 180 20 2
assign (residue 4 and name p) (residue 4 and name o5')
        (residue 4 and name c5') (residue 4 and name c4') 2 180 20 2
assign (residue 5 and name p) (residue 5 and name o5')
        (residue 5 and name c5') (residue 5 and name c4') 2 180 20 2
assign (residue 6 and name p) (residue 6 and name o5')
        (residue 6 and name c5') (residue 6 and name c4') 2 180 20 2
assign (residue 7 and name p) (residue 7 and name o5')
        (residue 7 and name c5') (residue 7 and name c4') 2 180 20 2
assign (residue 8 and name p) (residue 8 and name o5')
        (residue 8 and name c5') (residue 8 and name c4') 2 180 20 2
assign (residue 9 and name p) (residue 9 and name o5')
        (residue 9 and name c5') (residue 9 and name c4') 2 180 20 2
assign (residue 10 and name p) (residue 10 and name o5')
        (residue 10 and name c5') (residue 10 and name c4') 2 180 20 2

assign (residue 12 and name p) (residue 12 and name o5')
        (residue 12 and name c5') (residue 12 and name c4') 2 180 20 2
assign (residue 13 and name p) (residue 13 and name o5')
        (residue 13 and name c5') (residue 13 and name c4') 2 180 20 2
assign (residue 14 and name p) (residue 14 and name o5')
        (residue 14 and name c5') (residue 14 and name c4') 2 180 20 2
assign (residue 15 and name p) (residue 15 and name o5')
        (residue 15 and name c5') (residue 15 and name c4') 2 180 20 2
assign (residue 16 and name p) (residue 16 and name o5')
        (residue 16 and name c5') (residue 16 and name c4') 2 180 20 2
assign (residue 17 and name p) (residue 17 and name o5')
        (residue 17 and name c5') (residue 17 and name c4') 2 180 20 2
assign (residue 18 and name p) (residue 18 and name o5')
        (residue 18 and name c5') (residue 18 and name c4') 2 180 20 2
assign (residue 19 and name p) (residue 19 and name o5')
        (residue 19 and name c5') (residue 19 and name c4') 2 180 20 2
assign (residue 20 and name p) (residue 20 and name o5')
        (residue 20 and name c5') (residue 20 and name c4') 2 180 20 2


{Backbone Torsion Angle Gamma}
{Used in Refinement Only}

assign (residue 1 and name o5') (residue 1 and name c5')
        (residue 1 and name c4') (residue 1 and name c3') 2 55 20 2
assign (residue 2 and name o5') (residue 2 and name c5')
        (residue 2 and name c4') (residue 2 and name c3') 2 55 20 2
assign (residue 3 and name o5') (residue 3 and name c5')
        (residue 3 and name c4') (residue 3 and name c3') 2 55 20 2
assign (residue 4 and name o5') (residue 4 and name c5')
        (residue 4 and name c4') (residue 4 and name c3') 2 55 20 2
assign (residue 5 and name o5') (residue 5 and name c5')
        (residue 5 and name c4') (residue 5 and name c3') 2 55 20 2
assign (residue 6 and name o5') (residue 6 and name c5')
        (residue 6 and name c4') (residue 6 and name c3') 2 55 20 2
assign (residue 7 and name o5') (residue 7 and name c5')
        (residue 7 and name c4') (residue 7 and name c3') 2 55 20 2
assign (residue 8 and name o5') (residue 8 and name c5')
        (residue 8 and name c4') (residue 8 and name c3') 2 55 20 2
assign (residue 9 and name o5') (residue 9 and name c5')
        (residue 9 and name c4') (residue 9 and name c3') 2 55 20 2
assign (residue 10 and name o5') (residue 10 and name c5')
        (residue 10 and name c4') (residue 10 and name c3') 2 55 20 2
assign (residue 11 and name o5') (residue 11 and name c5')
        (residue 11 and name c4') (residue 11 and name c3') 2 55 20 2
assign (residue 12 and name o5') (residue 12 and name c5')
        (residue 12 and name c4') (residue 12 and name c3') 2 55 20 2
assign (residue 13 and name o5') (residue 13 and name c5')
        (residue 13 and name c4') (residue 13 and name c3') 2 55 20 2
assign (residue 14 and name o5') (residue 14 and name c5')
        (residue 14 and name c4') (residue 14 and name c3') 2 55 20 2
assign (residue 15 and name o5') (residue 15 and name c5')
        (residue 15 and name c4') (residue 15 and name c3') 2 55 20 2
assign (residue 16 and name o5') (residue 16 and name c5')
        (residue 16 and name c4') (residue 16 and name c3') 2 180 20 2
assign (residue 17 and name o5') (residue 17 and name c5')
        (residue 17 and name c4') (residue 17 and name c3') 2 55 20 2
assign (residue 18 and name o5') (residue 18 and name c5')
        (residue 18 and name c4') (residue 18 and name c3') 2 55 20 2
assign (residue 19 and name o5') (residue 19 and name c5')
        (residue 19 and name c4') (residue 19 and name c3') 2 55 20 2
assign (residue 20 and name o5') (residue 20 and name c5')
        (residue 20 and name c4') (residue 20 and name c3') 2 55 20 2


{Backbone Torsion Angle Epsilon}
{used in refinement only}

assign (residue 1 and name c4') (residue 1 and name c3')
        (residue 1 and name o3') (residue 2 and name p) 2 -155 20 2
assign (residue 2 and name c4') (residue 2 and name c3')
        (residue 2 and name o3') (residue 3 and name p) 2 -155 20 2
assign (residue 3 and name c4') (residue 3 and name c3')
        (residue 3 and name o3') (residue 4 and name p) 2 -155 20 2
assign (residue 4 and name c4') (residue 4 and name c3')
        (residue 4 and name o3') (residue 5 and name p) 2 -155 20 2
assign (residue 5 and name c4') (residue 5 and name c3')
        (residue 5 and name o3') (residue 6 and name p) 2 -155 20 2
assign (residue 6 and name c4') (residue 6 and name c3')
        (residue 6 and name o3') (residue 7 and name p) 2 -155 20 2
assign (residue 7 and name c4') (residue 7 and name c3')
        (residue 7 and name o3') (residue 8 and name p) 2 -155 20 2
assign (residue 8 and name c4') (residue 8 and name c3')
        (residue 8 and name o3') (residue 9 and name p) 2 -155 20 2
assign (residue 9 and name c4') (residue 9 and name c3')
        (residue 9 and name o3') (residue 10 and name p) 2 -155 20 2

assign (residue 11 and name c4') (residue 11 and name c3')
        (residue 11 and name o3') (residue 12 and name p) 2 -155 20 2
assign (residue 12 and name c4') (residue 12 and name c3')
        (residue 12 and name o3') (residue 13 and name p) 2 -155 20 2
assign (residue 13 and name c4') (residue 13 and name c3')
        (residue 13 and name o3') (residue 14 and name p) 2 -155 20 2
assign (residue 14 and name c4') (residue 14 and name c3')
        (residue 14 and name o3') (residue 15 and name p) 2 -95 20 2
assign (residue 15 and name c4') (residue 15 and name c3')
        (residue 15 and name o3') (residue 16 and name p) 2 -155 20 2
assign (residue 16 and name c4') (residue 16 and name c3')
        (residue 16 and name o3') (residue 17 and name p) 2 -155 20 2
assign (residue 17 and name c4') (residue 17 and name c3')
        (residue 17 and name o3') (residue 18 and name p) 2 -155 20 2
assign (residue 18 and name c4') (residue 18 and name c3')
        (residue 18 and name o3') (residue 19 and name p) 2 -155 20 2
assign (residue 19 and name c4') (residue 19 and name c3')
        (residue 19 and name o3') (residue 20 and name p) 2 -155 20 2



end



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