NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
9001 | 1n8c | 5730 | cing | 1-original | 4 | AMBER | distance | hydrogen bond | simple |
# Stop Res 22 H3T hyroxyl from forming h bonds across the groove &rst iat(1) = 4 , iat(2) = 22 , iat(3) = 0 , iat(4) = 0 , atnam(1) = 'O1P ' , atnam(2) = 'H3T ' , iresid = 1 , nstep1 = 0 , nstep2 = 0 , irstyp = 0 , ifvari = 0 , ninc = 0 , imult = 0 , r1 = 10.800 , r2 = 11.300 , r3 = 20.000 , r4 = 22.356 , rk2 = 25.00 , rk3 = 25.00 , r1a = 0.0 , r2a = 0.0 , r3a = 0.0 , r4a = 0.0 , rk2a = 0.0 , rk3a = 0.0 , igr1(1) = 0 , igr2(1) = 0 , ir6 = 0 , ifntyp = 0 &end # Stop H3T hyroxyl from forming h bonds across the groove &rst iat(1) = 5 , iat(2) = 22 , iat(3) = 0 , iat(4) = 0 , atnam(1) = 'O1P ' , atnam(2) = 'H3T ' , iresid = 1 , nstep1 = 0 , nstep2 = 0 , irstyp = 0 , ifvari = 0 , ninc = 0 , imult = 0 , r1 = 10.800 , r2 = 11.300 , r3 = 20.000 , r4 = 22.356 , rk2 = 25.00 , rk3 = 25.00 , r1a = 0.0 , r2a = 0.0 , r3a = 0.0 , r4a = 0.0 , rk2a = 0.0 , rk3a = 0.0 , igr1(1) = 0 , igr2(1) = 0 , ir6 = 0 , ifntyp = 0 &end # Stop Res 11 H3T hyroxyl from forming h bonds across the groove &rst iat(1) = 15 , iat(2) = 11 , iat(3) = 0 , iat(4) = 0 , atnam(1) = 'O1P ' , atnam(2) = 'H3T ' , iresid = 1 , nstep1 = 0 , nstep2 = 0 , irstyp = 0 , ifvari = 0 , ninc = 0 , imult = 0 , r1 = 10.800 , r2 = 11.300 , r3 = 20.000 , r4 = 22.356 , rk2 = 25.00 , rk3 = 25.00 , r1a = 0.0 , r2a = 0.0 , r3a = 0.0 , r4a = 0.0 , rk2a = 0.0 , rk3a = 0.0 , igr1(1) = 0 , igr2(1) = 0 , ir6 = 0 , ifntyp = 0 &end # Stop Res 11 H3T hyroxyl from forming h bonds across the groove &rst iat(1) = 16 , iat(2) = 11 , iat(3) = 0 , iat(4) = 0 , atnam(1) = 'O1P ' , atnam(2) = 'H3T ' , iresid = 1 , nstep1 = 0 , nstep2 = 0 , irstyp = 0 , ifvari = 0 , ninc = 0 , imult = 0 , r1 = 10.800 , r2 = 11.300 , r3 = 20.000 , r4 = 22.356 , rk2 = 25.00 , rk3 = 25.00 , r1a = 0.0 , r2a = 0.0 , r3a = 0.0 , r4a = 0.0 , rk2a = 0.0 , rk3a = 0.0 , igr1(1) = 0 , igr2(1) = 0 , ir6 = 0 , ifntyp = 0 &end
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