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 subsubtype
27593 2ro2 cing 1-original 1 AMBER distance hydrogen bond simple


# MNR constraints for 2RO2 (AMBER format)
# HYDROGEN BONDING 
 &rst iat=  1, 23, atnam(1)='H21 ', atnam(2)='O2  ',
     r1=   0.700,r2=   1.700,r3=   2.000,r4=   3.000, 
     rk2=  30.000, rk3=  30.000 , ir6=1, iresid=1, &end
 &rst iat=  1, 23, atnam(1)='H1  ', atnam(2)='N3  ', iresid=1, /   
 &rst iat=  1, 23, atnam(1)='O6  ', atnam(2)='H41 ', iresid=1, /   
 &rst iat=  2, 22, atnam(1)='H21 ', atnam(2)='O2  ', iresid=1, /   
 &rst iat=  2, 22, atnam(1)='H1  ', atnam(2)='N3  ', iresid=1, /   
 &rst iat=  2, 22, atnam(1)='O6  ', atnam(2)='H41 ', iresid=1, /   
 &rst iat=  3, 21, atnam(1)='H21 ', atnam(2)='O2  ', iresid=1, /   
 &rst iat=  3, 21, atnam(1)='H1  ', atnam(2)='N3  ', iresid=1, /   
 &rst iat=  3, 21, atnam(1)='O6  ', atnam(2)='H41 ', iresid=1, /   
 &rst iat=  4, 20, atnam(1)='H61 ', atnam(2)='O4  ', iresid=1, /   
 &rst iat=  4, 20, atnam(1)='N1  ', atnam(2)='H3  ', iresid=1, /   
 &rst iat=  5, 19, atnam(1)='H1  ', atnam(2)='O2  ', iresid=1, /   
 &rst iat=  5, 19, atnam(1)='O6  ', atnam(2)='H3  ', iresid=1, /   
 &rst iat=  6, 18, atnam(1)='H61 ', atnam(2)='O4  ', iresid=1, /   
 &rst iat=  6, 18, atnam(1)='N1  ', atnam(2)='H3  ', iresid=1, /   
 &rst iat=  7, 17, atnam(1)='O2  ', atnam(2)='H21 ', iresid=1, /   
 &rst iat=  7, 17, atnam(1)='N3  ', atnam(2)='H1  ', iresid=1, /   
 &rst iat=  7, 17, atnam(1)='H41 ', atnam(2)='O6  ', iresid=1, /   
 &rst iat=  8, 16, atnam(1)='O2  ', atnam(2)='H21 ', iresid=1, /   
 &rst iat=  8, 16, atnam(1)='N3  ', atnam(2)='H1  ', iresid=1, /   
 &rst iat=  8, 16, atnam(1)='H41 ', atnam(2)='O6  ', iresid=1, /   
 &rst iat=  9, 15, atnam(1)='O2  ', atnam(2)='H1  ', iresid=1, /   
 &rst iat=  9, 15, atnam(1)='H3  ', atnam(2)='O6  ', iresid=1, /   


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