NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4033 | 1ekh | cing | 1-original | 1 | unknown | unknown |
! INPUT k1 RESTraints USER INIT END RESTraints USER GTENsor 0.25900D+02 0.00000D+00 0.80000D+02 0.90000D+02 0.00000D+00 END RESTraints USER PROTON SELEction = ( resid 1 and name H5' ) VALUe=-0.340D+00 ERROr= 0.118D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 1 and name H4' ) VALUe=-0.220D+00 ERROr= 0.520D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 1 and name H1' ) VALUe=-0.250D+00 ERROr= 0.680D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 1 and name H6 ) VALUe=-0.600D+00 ERROr= 0.560D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 1 and ( name H51 or name H52 or name H53 ) ) VALUe=-0.960D+00 ERROr= 0.620D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 1 and name H2' ) VALUe=-0.450D+00 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 1 and name H2'' ) VALUe=-0.280D+00 ERROr= 0.118D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 1 and name H3' ) VALUe=-0.340D+00 ERROr= 0.700D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name P ) VALUe=-0.210D+00 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H5' ) VALUe=-0.100D-01 ERROr= 0.880D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H5'' ) VALUe=-0.100D-01 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H4' ) VALUe= 0.190D+00 ERROr= 0.600D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H1' ) VALUe= 0.280D+00 ERROr= 0.840D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H6 ) VALUe=-0.470D+00 ERROr= 0.700D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and ( name H51 or name H52 or name H53 ) ) VALUe=-0.107D+01 ERROr= 0.780D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H2' ) VALUe=-0.900D-01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H2'' ) VALUe= 0.240D+00 ERROr= 0.112D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 2 and name H3' ) VALUe= 0.400D-01 ERROr= 0.780D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name P ) VALUe= 0.340D+00 ERROr= 0.120D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H5' ) VALUe= 0.780D+00 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H5'' ) VALUe= 0.690D+00 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H4' ) VALUe= 0.146D+01 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H1' ) VALUe= 0.207D+01 ERROr= 0.800D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H1 ) VALUe=-0.710D+00 ERROr= 0.840D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name 1H2 ) VALUe= 0.635D+01 ERROr= 0.360D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name 2H2 ) VALUe= 0.727D+01 ERROr= 0.372D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H8 ) VALUe= 0.230D+00 ERROr= 0.680D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H2' ) VALUe= 0.138D+01 ERROr= 0.126D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H2'' ) VALUe= 0.260D+01 ERROr= 0.134D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 3 and name H3' ) VALUe= 0.101D+01 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name P ) VALUe= 0.146D+01 ERROr= 0.120D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H5' ) VALUe= 0.158D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H5'' ) VALUe= 0.211D+01 ERROr= 0.106D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H4' ) VALUe= 0.468D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H1' ) VALUe= 0.623D+01 ERROr= 0.106D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H1 ) VALUe=-0.157D+02 ERROr= 0.124D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name 1H2 ) VALUe=-0.351D+02 ERROr= 0.694D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name 2H2 ) VALUe= 0.121D+02 ERROr= 0.200D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H8 ) VALUe= 0.350D+00 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H2' ) VALUe= 0.547D+01 ERROr= 0.174D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H2'' ) VALUe= 0.912D+01 ERROr= 0.142D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 4 and name H3' ) VALUe= 0.202D+01 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name P ) VALUe= 0.295D+01 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H5' ) VALUe= 0.760D+01 ERROr= 0.126D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H5'' ) VALUe= 0.126D+02 ERROr= 0.118D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H4' ) VALUe= 0.270D+02 ERROr= 0.492D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H6 ) VALUe=-0.248D+01 ERROr= 0.146D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name 1H4 ) VALUe=-0.573D+01 ERROr= 0.114D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name 2H4 ) VALUe=-0.802D+01 ERROr= 0.114D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H5 ) VALUe=-0.493D+01 ERROr= 0.102D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H2' ) VALUe=-0.316D+02 ERROr= 0.530D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H2'' ) VALUe=-0.225D+02 ERROr= 0.104D+01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 5 and name H3' ) VALUe=-0.463D+01 ERROr= 0.150D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name P ) VALUe=-0.941D+01 ERROr= 0.150D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name H5' ) VALUe=-0.218D+02 ERROr= 0.184D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name H5'' ) VALUe=-0.454D+02 ERROr= 0.109D+01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name H4' ) VALUe=-0.432D+02 ERROr= 0.135D+01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name H6 ) VALUe=-0.223D+02 ERROr= 0.208D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name 1H4 ) VALUe=-0.685D+01 ERROr= 0.124D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name 2H4 ) VALUe=-0.498D+01 ERROr= 0.146D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name H5 ) VALUe=-0.117D+02 ERROr= 0.112D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name H2' ) VALUe=-0.568D+01 ERROr= 0.488D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 6 and name H3' ) VALUe=-0.121D+02 ERROr= 0.110D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name P ) VALUe=-0.414D+01 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name H4' ) VALUe= 0.170D+01 ERROr= 0.820D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name H1' ) VALUe= 0.239D+01 ERROr= 0.100D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name H8 ) VALUe=-0.185D+01 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name H2 ) VALUe= 0.640D+00 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name H2' ) VALUe=-0.150D+00 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name H2'' ) VALUe= 0.720D+00 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 7 and name H3' ) VALUe= 0.780D+00 ERROr= 0.740D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name P ) VALUe= 0.138D+01 ERROr= 0.100D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H5'' ) VALUe= 0.213D+01 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H4' ) VALUe= 0.146D+01 ERROr= 0.680D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H1' ) VALUe= 0.740D+00 ERROr= 0.820D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H8 ) VALUe= 0.110D+00 ERROr= 0.540D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H2 ) VALUe=-0.400D-01 ERROr= 0.600D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H2' ) VALUe= 0.180D+00 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H2'' ) VALUe= 0.710D+00 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 8 and name H3' ) VALUe= 0.770D+00 ERROr= 0.620D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and name H5' ) VALUe=-0.340D+00 ERROr= 0.118D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and name H4' ) VALUe=-0.220D+00 ERROr= 0.520D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and name H1' ) VALUe=-0.250D+00 ERROr= 0.680D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and name H6 ) VALUe=-0.600D+00 ERROr= 0.560D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and ( name H51 or name H52 or name H53 ) ) VALUe=-0.960D+00 ERROr= 0.620D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and name H2' ) VALUe=-0.450D+00 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and name H2'' ) VALUe=-0.280D+00 ERROr= 0.118D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 11 and name H3' ) VALUe=-0.340D+00 ERROr= 0.700D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name P ) VALUe=-0.210D+00 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H5' ) VALUe=-0.100D-01 ERROr= 0.880D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H5'' ) VALUe=-0.100D-01 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H4' ) VALUe= 0.190D+00 ERROr= 0.600D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H1' ) VALUe= 0.280D+00 ERROr= 0.840D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H6 ) VALUe=-0.470D+00 ERROr= 0.700D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and ( name H51 or name H52 or name H53 ) ) VALUe=-0.107D+01 ERROr= 0.780D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H2' ) VALUe=-0.900D-01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H2'' ) VALUe= 0.240D+00 ERROr= 0.112D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 12 and name H3' ) VALUe= 0.400D-01 ERROr= 0.780D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name P ) VALUe= 0.340D+00 ERROr= 0.120D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H5' ) VALUe= 0.780D+00 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H5'' ) VALUe= 0.690D+00 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H4' ) VALUe= 0.146D+01 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H1' ) VALUe= 0.207D+01 ERROr= 0.800D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H1 ) VALUe=-0.710D+00 ERROr= 0.840D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name 1H2 ) VALUe= 0.635D+01 ERROr= 0.360D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name 2H2 ) VALUe= 0.727D+01 ERROr= 0.372D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H8 ) VALUe= 0.230D+00 ERROr= 0.680D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H2' ) VALUe= 0.138D+01 ERROr= 0.126D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H2'' ) VALUe= 0.260D+01 ERROr= 0.134D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 13 and name H3' ) VALUe= 0.101D+01 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name P ) VALUe= 0.146D+01 ERROr= 0.120D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H5' ) VALUe= 0.158D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H5'' ) VALUe= 0.211D+01 ERROr= 0.106D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H4' ) VALUe= 0.468D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H1' ) VALUe= 0.623D+01 ERROr= 0.106D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H1 ) VALUe=-0.157D+02 ERROr= 0.124D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name 1H2 ) VALUe=-0.351D+02 ERROr= 0.694D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name 2H2 ) VALUe= 0.121D+02 ERROr= 0.200D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H8 ) VALUe= 0.350D+00 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H2' ) VALUe= 0.547D+01 ERROr= 0.174D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H2'' ) VALUe= 0.912D+01 ERROr= 0.142D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 14 and name H3' ) VALUe= 0.202D+01 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name P ) VALUe= 0.295D+01 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H5' ) VALUe= 0.760D+01 ERROr= 0.126D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H5'' ) VALUe= 0.126D+02 ERROr= 0.118D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H4' ) VALUe= 0.270D+02 ERROr= 0.492D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H6 ) VALUe=-0.248D+01 ERROr= 0.146D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name 1H4 ) VALUe=-0.573D+01 ERROr= 0.114D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name 2H4 ) VALUe=-0.802D+01 ERROr= 0.114D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H5 ) VALUe=-0.493D+01 ERROr= 0.102D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H2' ) VALUe=-0.316D+02 ERROr= 0.530D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H2'' ) VALUe=-0.225D+02 ERROr= 0.104D+01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 15 and name H3' ) VALUe=-0.463D+01 ERROr= 0.150D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name P ) VALUe=-0.941D+01 ERROr= 0.150D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name H5' ) VALUe=-0.218D+02 ERROr= 0.184D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name H5'' ) VALUe=-0.454D+02 ERROr= 0.109D+01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name H4' ) VALUe=-0.432D+02 ERROr= 0.135D+01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name H6 ) VALUe=-0.223D+02 ERROr= 0.208D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name 1H4 ) VALUe=-0.685D+01 ERROr= 0.124D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name 2H4 ) VALUe=-0.498D+01 ERROr= 0.146D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name H5 ) VALUe=-0.117D+02 ERROr= 0.112D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name H2' ) VALUe=-0.568D+01 ERROr= 0.488D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 16 and name H3' ) VALUe=-0.121D+02 ERROr= 0.110D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name P ) VALUe=-0.414D+01 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name H4' ) VALUe= 0.170D+01 ERROr= 0.820D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name H1' ) VALUe= 0.239D+01 ERROr= 0.100D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name H8 ) VALUe=-0.185D+01 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name H2 ) VALUe= 0.640D+00 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name H2' ) VALUe=-0.150D+00 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name H2'' ) VALUe= 0.720D+00 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 17 and name H3' ) VALUe= 0.780D+00 ERROr= 0.740D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name P ) VALUe= 0.138D+01 ERROr= 0.100D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H5'' ) VALUe= 0.213D+01 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H4' ) VALUe= 0.146D+01 ERROr= 0.680D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H1' ) VALUe= 0.740D+00 ERROr= 0.820D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H8 ) VALUe= 0.110D+00 ERROr= 0.540D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H2 ) VALUe=-0.400D-01 ERROr= 0.600D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H2' ) VALUe= 0.180D+00 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H2'' ) VALUe= 0.710D+00 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 18 and name H3' ) VALUe= 0.770D+00 ERROr= 0.620D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and name H1 ) VALUe= 0.324D+01 ERROr= 0.580D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and name H2A ) VALUe= 0.224D+01 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and name H2E ) VALUe= 0.286D+01 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and name H3 ) VALUe= 0.300D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and name H4 ) VALUe= 0.191D+01 ERROr= 0.600D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and ( name HM41 or name HM42 or name HM43 ) ) VALUe= 0.116D+01 ERROr= 0.460D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and name H5 ) VALUe= 0.339D+01 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 21 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.190D+01 ERROr= 0.700D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and name H1 ) VALUe= 0.124D+02 ERROr= 0.120D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and name H2A ) VALUe= 0.837D+01 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and name H2E ) VALUe= 0.822D+01 ERROr= 0.124D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and name H3 ) VALUe= 0.539D+01 ERROr= 0.112D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and name H4 ) VALUe= 0.458D+01 ERROr= 0.580D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and ( name HM41 or name HM42 or name HM43 ) ) VALUe= 0.409D+01 ERROr= 0.540D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and name H5 ) VALUe= 0.706D+01 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 22 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.607D+01 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 23 and ( name HM11 or name HM12 or name HM13 ) ) VALUe=-0.900D+01 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 23 and name HS3 ) VALUe=-0.739D+01 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 23 and name HS4 ) VALUe=-0.595D+01 ERROr= 0.940D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 23 and ( name HM51 or name HM52 or name HM53 ) ) VALUe=-0.448D+01 ERROr= 0.720D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and name H1 ) VALUe= 0.976D+01 ERROr= 0.800D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and name H2A ) VALUe= 0.449D+01 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and name H2E ) VALUe= 0.475D+01 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and ( name HM31 or name HM32 or name HM33 ) ) VALUe= 0.450D+01 ERROr= 0.660D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and name H4 ) VALUe= 0.415D+01 ERROr= 0.880D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and ( name HM41 or name HM42 or name HM43 ) ) VALUe= 0.250D+01 ERROr= 0.360D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and name H5 ) VALUe= 0.774D+01 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 24 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.662D+01 ERROr= 0.800D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and name H1 ) VALUe= 0.425D+02 ERROr= 0.364D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and name H2A ) VALUe= 0.804D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and name H2E ) VALUe= 0.114D+02 ERROr= 0.146D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and name H3 ) VALUe= 0.182D+02 ERROr= 0.150D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and name H4 ) VALUe= 0.912D+01 ERROr= 0.108D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and name HO4 ) VALUe= 0.108D+02 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and name H5 ) VALUe= 0.194D+02 ERROr= 0.162D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 25 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.840D+01 ERROr= 0.780D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 26 and name H4 ) VALUe= 0.302D+01 ERROr= 0.134D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 26 and ( name HM61 or name HM62 or name HM63 ) ) VALUe=-0.509D+01 ERROr= 0.940D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and name H1 ) VALUe= 0.324D+01 ERROr= 0.580D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and name H2A ) VALUe= 0.224D+01 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and name H2E ) VALUe= 0.286D+01 ERROr= 0.860D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and name H3 ) VALUe= 0.300D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and name H4 ) VALUe= 0.191D+01 ERROr= 0.600D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and ( name HM41 or name HM42 or name HM43 ) ) VALUe= 0.116D+01 ERROr= 0.460D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and name H5 ) VALUe= 0.339D+01 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 31 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.190D+01 ERROr= 0.700D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and name H1 ) VALUe= 0.124D+02 ERROr= 0.120D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and name H2A ) VALUe= 0.837D+01 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and name H2E ) VALUe= 0.822D+01 ERROr= 0.124D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and name H3 ) VALUe= 0.539D+01 ERROr= 0.112D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and name H4 ) VALUe= 0.458D+01 ERROr= 0.580D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and ( name HM41 or name HM42 or name HM43 ) ) VALUe= 0.409D+01 ERROr= 0.540D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and name H5 ) VALUe= 0.706D+01 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 32 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.607D+01 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 33 and ( name HM11 or name HM12 or name HM13 ) ) VALUe=-0.900D+01 ERROr= 0.760D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 33 and name HS3 ) VALUe=-0.739D+01 ERROr= 0.900D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 33 and name HS4 ) VALUe=-0.595D+01 ERROr= 0.940D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 33 and ( name HM51 or name HM52 or name HM53 ) ) VALUe=-0.448D+01 ERROr= 0.720D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and name H1 ) VALUe= 0.976D+01 ERROr= 0.800D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and name H2A ) VALUe= 0.449D+01 ERROr= 0.116D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and name H2E ) VALUe= 0.475D+01 ERROr= 0.960D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and ( name HM31 or name HM32 or name HM33 ) ) VALUe= 0.450D+01 ERROr= 0.660D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and name H4 ) VALUe= 0.415D+01 ERROr= 0.880D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and ( name HM41 or name HM42 or name HM43 ) ) VALUe= 0.250D+01 ERROr= 0.360D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and name H5 ) VALUe= 0.774D+01 ERROr= 0.104D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 34 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.662D+01 ERROr= 0.800D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and name H1 ) VALUe= 0.425D+02 ERROr= 0.364D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and name H2A ) VALUe= 0.804D+01 ERROr= 0.980D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and name H2E ) VALUe= 0.114D+02 ERROr= 0.146D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and name H3 ) VALUe= 0.182D+02 ERROr= 0.150D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and name H4 ) VALUe= 0.912D+01 ERROr= 0.108D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and name HO4 ) VALUe= 0.108D+02 ERROr= 0.130D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and name H5 ) VALUe= 0.194D+02 ERROr= 0.162D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 35 and ( name HM61 or name HM62 or name HM63 ) ) VALUe= 0.840D+01 ERROr= 0.780D-01 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 36 and name H4 ) VALUe= 0.302D+01 ERROr= 0.134D+00 WEIGht=0.50D+01 END END RESTraints USER PROTON SELEction = ( resid 36 and ( name HM61 or name HM62 or name HM63 ) ) VALUe=-0.509D+01 ERROr= 0.940D-01 WEIGht=0.50D+01 END END ?
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