CPYA 4.2673 552# ' XJY8@ { `??SimData_DH o*:}&#G'nڭ>z |t:yz¦|+,.CV<щڿZ`ԿU2c0/wk(- 8ە[Ʉt VdfQgE)g}!WS῍, jۿJ%|ֿoV}ҿb-}Nο,t,t,t,t,t { `??SimData_INJV Xj#݊?Xj#݊?Xj#݊?Xj#݊?Xj#݊?Xj#݊?Xj#݊?Xj#݊?Xj#݊?Xj#݊?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?W/'?,t,t,t,t,t { `??SimData_Xt 3VN O?`'^?g?pn?2Us?b-\>v?)īsz?~? U;ր?'*_D?k?Rm?C2;H${"PI`$8@yAC}<=4`v,햅@_ںhZo})%`C~4Ű3`5g'מ`P>@a1; {R!)k[=u*Lc,t,t,t,t,t { `?? Max_INJV ffffff?ffffff?ffffff?ffffff?ffffff?ffffff?ffffff?ffffff?ffffff?ffffff?@@@@@@@@@@@@@@@,t,t,t,t,t { `?? Max_Xt hoA?Pkw?`TR'y@:pΈ @Gz@ׁs&@H.@z6>@ F%u^ @(\"@ rhA@ʡE@ʡE@ rhQ@ @S @&1L @x&@lI@@Mb@t@"~@M@@,t,t,t,t { `?? Max_Mt @@@5Q!p@UA@'q'q@8?@#z@[ @/\@H/@8R4@@g5}@ځv`@hC@vb'vb'@_ @jY@ $w@m۶m۶@廯3@ad@ c@sH@------@,t,t,t,t { ?? Max_XMt =~o??ǝ? e6?Zd;?P1߄?wn?E>?I|?Mb?K7A ?Cl?Zd?Sc?̬?)?/ZD?On?3^I ?233333?S?%1?Zd;/?I +??,t,t,t,t,t {  `?? Max_NDH KZ߻IdHmeCTtf7pc{߳:.,:۰GZw E.+b #3&+1hdhSKG\QFbze^[6,|g 53R1Y*g%e῟VBؿzѿ 9~ſ,t,t,t,t,t { `??Min_DH L:?glAm#xp9|yNv�n=翢9ڿ SPTԿm! 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Opt_XMt =~o??ǝ? e6?Zd;?P1߄?wn?E>?G|?Mb?K7A ?Cl?Zd?Sc?̬?(?/ZD?On?2^I ?133333?S?%1?Zd;/?I +??,t,t,t,t,t {  `??Opt_NDH Rb;dO5 a#W[үo \xad)؂흚s":}gRωېB_M7[*ɹvXkWaxJOVdNm*EWb@~I8EoD3w@/ =* GY(%,t,t,t,t,t SimDataeGjƂQ,DELTAH,FdXXͭBA!8רBAXX  ^@?@?@?@l ")"q3@-? ף= ף= Pd, k #y??(ITCType (  y??(  jITCType??@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ -QTypeitem 2item 3item 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #qJI?BgBg?(Store (  I?BgBg?(  Status8@@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ |||numpointsrangeEditPeakitem 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #dd(__WIOTN (  d( %8M0w02{{{{ k #POd@"k"k@(@RNASECMP ( @Od@"k"k@(@ @ ddd"Arial $W8 2WH"Arial: $W8 2WH k #o2o2 5P?>o?(TEXE ( 2 5P?>o?( set col(NDH) -e 0; col(NDH)=col(DH); col(NDH)/=col(injv); col(NDH)*=1E3/SYRNG_C_%H; dummy=col(Xt); dummy/=col(Mt); get dummy -e npts; set col(XMt) -e 0; set col(XMt) -e (npts); copy -b 2 dummy col(XMt) -b 1 -e (npts-1); del dummy; k #dd(>>__LayerInfoStorage7 (  d(  DH`? c  INJV`  Xt`  Mt`  XMt  NDH` c   P   @ P   "&@*# P  @)" P   P  P P   P   @ P   "&@#*2 P  @")1 P   P  P P   P   P   P   P   P   P MaxeGjƂQ,DELTAH,FdXX߼1BA רBAXX  ^@?@>@?@l ")"q3@-? ף= ף= Pd, k #y??(ITCType (  y??(  jITCType??@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ -QTypeitem 2item 3item 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #qJI?BgBg?(Store (  I?BgBg?(  Status8@@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ |||numpointsrangeEditPeakitem 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #dd(__WIOTN (  d( %8M0w02{{{{ k #POd@"k"k@(@RNASECMP ( @Od@"k"k@(@ @ ddd"Arial $W8 2WH"Arial: $W8 2WH k #o2o2 5P?>o?(TEXE ( 2 5P?>o?( set col(NDH) -e 0; col(NDH)=col(DH); col(NDH)/=col(injv); col(NDH)*=1E3/SYRNG_C_%H; dummy=col(Xt); dummy/=col(Mt); get dummy -e npts; set col(XMt) -e 0; set col(XMt) -e (npts); copy -b 2 dummy col(XMt) -b 1 -e (npts-1); del dummy; k #dd(>>__LayerInfoStorage7 (  d(  DH `? c  INJV `   Xt `   Mt `   XMt   NDH ` c   P   @ P   "&@*# P  @)" P   P  P P   P   @ P   "&@#*! P  @")  P   P  P P   P   P   P   P   P   P MinE.jƂQ,DELTAH,FdXX:m1BAmרBAXX  ^@?@>@?@l ")"q3@-? ף= ף= Pd, k #y??(ITCType (  y??(  jITCType??@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ -QTypeitem 2item 3item 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #qJI?BgBg?(Store (  I?BgBg?(  Status8@@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ |||numpointsrangeEditPeakitem 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #dd(__WIOTN (  d( %8M0w02{{{{ k #POd@"k"k@(@RNASECMP ( @Od@"k"k@(@ @ ddd"Arial $W8 2WH"Arial: $W8 2WH k #o2o2 5P?>o?(TEXE ( 2 5P?>o?( set col(NDH) -e 0; col(NDH)=col(DH); col(NDH)/=col(injv); col(NDH)*=1E3/SYRNG_C_%H; dummy=col(Xt); dummy/=col(Mt); get dummy -e npts; set col(XMt) -e 0; set col(XMt) -e (npts); copy -b 2 dummy col(XMt) -b 1 -e (npts-1); del dummy; k #dd(>>__LayerInfoStorage7 (  d(   DH`? c  INJV`  Xt`  Mt`  XMt  NDH` c   P   @ P   "&@*# P  @)" P   P  P P   P   @ P   "&@#*! P  @")  P   P  P P   P   P   P   P   P   P OptE.jƂQ,DELTAH,FdXX~1BAmרBAXX  ^@?@>@?@l ")"q3@-? ף= ף= Pd, k #y??(ITCType (  y??(  jITCType??@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ -QTypeitem 2item 3item 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #qJI?BgBg?(Store (  I?BgBg?(  Status8@@@@@@@ @"@$@&@(@*@,@.@0@1@2@3@ |||numpointsrangeEditPeakitem 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20text 1text 2text 3text 4text 5text 6text 7text 8text 9text 10text 11text 12text 13text 14text 15text 16text 17text 18text 19text 2056789:;<=>?@ABCDEFGH  k #dd(__WIOTN (  d( %8M0w02{{{{ k #POd@"k"k@(@RNASECMP ( @Od@"k"k@(@ @ ddd"Arial $W8 2WH"Arial: $W8 2WH k #o2o2 5P?>o?(TEXE ( 2 5P?>o?( set col(NDH) -e 0; col(NDH)=col(DH); col(NDH)/=col(injv); col(NDH)*=1E3/SYRNG_C_%H; dummy=col(Xt); dummy/=col(Mt); get dummy -e npts; set col(XMt) -e 0; set col(XMt) -e (npts); copy -b 2 dummy col(XMt) -b 1 -e (npts-1); del dummy; k #dd(>>__LayerInfoStorage7 (  d(  DH`? c  INJV`  Xt`  Mt`  XMt  NDH` c   P   @ P   "&@*# P  @)" P   P  P P   P   @ P   "&@#*! P  @")  P   P  P P   P   P   P   P   P   P SimulatorPlot)mp@(#@ORIGIN FdXXQBA!8רBAXX!  @?@@@@@ Tl՜˿l "OaS2? ף= ף=Pd2 k ? )OH?h$M?$0Two  in E@  N1 = $(simulator!n1.v1, *2) Sites K1 = $(simulator!k1.v1, *2) M\+(-1) DH1 = $(simulator!Dh1.v1, *2) Cal/Mol/Deg N2 = $(simulator!n2.v1, *2) Sites K2 = $(simulator!k2.v1, *2) M\+(-1) DH2 = $(simulator!Dh2.v1, *2) Cal/Mol/Deg Cell Conc. = $(simulator!cellc.v1, *2) mM Syr. Conc. = $(simulator!cellc.v1, *2) mM Num. of Inj. = $(simulator!points.v1, *2) Inj. Vol = $(simulator!injvol.v1, *2) mL k ww fLf?@8*C3?$0One  inE@S  N = $(simulator!n1.v1, *2) Sites K = $(simulator!k1.v1, *2) M\+(-1) DH = $(simulator!Dh1.v1, *2) Cal/Mol Cell Conc. = $(simulator!cellc.v1, *2) mM Syr. Conc. = $(simulator!syrc.v1, *2) mM Num. of Inj. = $(simulator!points.v1, *2) Inj. Vol = $(simulator!injvol.v1, *2) mL k 3=V3f?1fqS?$0SimLegend  inE@a  \l(1) Simulation Macromolecule Conc. : $(simulator!cellc.v1, *2) mM \l(2) Maximum Macromolecule Conc. : $(maxC) mM \l(3) Minimum Macromolecule Conc. : $(MinC) mM \l(4) Optimal Macromolecule Conc. : $(OptC) mM k #FMB d?Gx ?(i3D ( NiB d?Gx ?(i i GB33pv??m->Rbv?&>&- m?GĮ76Č ??DDD???EEF4bF! 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P   P@ P   P   P   P   P   P   P Simulator.p |,(Origin,FrXXe+BAe+BAXX  $@@@$@@zinEf\(R,S2? ף= ף=Pd1 k #.y["r?p^Ŀ(`BMP ( Yv6`y["r?p^Ŀ(` ` SimulatorPlot00 k #& = UX?y?( kd2 ( VUX?y?(   tKd (Mol) H׊>h㈵>ꌠ9Y>)FKH9 d E  EBAd BN ^ kd2.inc=0.5*10^(int(log(kd2.v1))); k2.v1=1/kd2.v1; run.section(ITCSimulation200,Simulator); k #&  X?{b S=?( Kd1 ( T X?{b S=?(   tKd (Mol) ư>Hj>ꌠ9Y>)FKH9  p6 5 p l  N r kd1.inc=0.5*10^(int(log(kd1.v1))); k1.v1=1/kd1.v1; BindConstChange=1; run.section(ITCSimulation200,Simulator); k % h C \Ux?Z ?$Second  inEA  Second Site k #$ 0 K yRnǗ?@0?( N2 ( YK yRnǗ?@0?(   tN (Stoichiometry) ??$@?,t Y E  E7 AY 7 N ) run.section(ITCSimulation200,Simulator); k #'  ['?m,?( dh1 ( R ['?m,?(   tDH (Cal/Mol) L@@xD@x  J? > J F  N power=log(abs(dh1.v1)); if(power==0) power=1; dh1.inc=0.5*10^(int(power)); BindConstChange=1; run.section(ITCSimulation200,Simulator); k #$  yRnǗ?,-?( k1 ( ^ yRnǗ?,-?(   tKa (1/M) .A@@xD#B ;  L2 1 L H  N p k1.inc=0.5*10^(int(log(k1.v1))); kd1.v1=1/k1.v1; BindConstChange=1; run.section(ITCSimulation200,Simulator); k #!  #IPg? :?( n1 ( W IPg? :?(   tN (Stoichiometry) ??$@? B( ' B > N = BindConstChange=1; run.section(ITCSimulation200,Simulator); k #, kǘ?-ϐ?( Points ( Mkǘ?-ϐ?(   tNumber of Injections $@?Y@@ V~}VRN = BindConstChange=0; run.section(ITCSimulation200,Simulator); k #+ >X1`h?%L=?( dh2 ( KX`h?%L=?(   tDH (Cal/Mol) @@@@xD@x fNNDJfDN w power=log(abs(dh2.v1)); if(power==0) power=1; dh2.inc=0.5*10^(int(power)); run.section(ITCSimulation200,Simulator); k #$ 7 QyRnǗ?h,?( k2 ( YQyRnǗ?h,?(   tKa (1/M) SAA@xD#B ; _ L  L=H_ =N \ k2.inc=0.5*10^(int(log(k2.v1))); kd2.v1=1/k2.v1; run.section(ITCSimulation200,Simulator); k S E jD?M F?$First  inE  First Site k #7bcп2(r?( Const (  , cп2(r?( Constants?? Uk+Keep C ConstantKeep Concentrations ConstantShow Max/Min/Opt Curvesitem 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20 switch (index) { Case 1: Const.v1=1; Const.v2=0; break; Case 2: Const.v1=0; Const.v2=1; break; Case 3: if(SimData_NDH[1]!="") { run.section(ITCSimulation200,SimMaxMinOpt); } break; } k #$ RyRnǗ?i?( C ( ^FyRnǗ?i?(   tC (Sigmoidisity) @I@@@ WWSC  c.inc=0.5*10^(int(log(c.v1))); if(c.inc==0) {c.inc=0.05;} CChange=1; BindConstChange=0; run.section(ITCSimulation200,Simulator); k #:fs]пM F(Buttons (  ]пM F(    >&fNv    .  V >Start New SessionStart Experimental Design WizardAdd New CurveExport to INJ FileInput New Bind. ParametersInput New Run ParametersMaximize QualityMinimize SamplePrint Simulation PlotExport to DH FileRefresh  switch (index) { case 1: run.section(ITCSimulation200,Cleanup); break; case 2: run.section(ITCSimulation200,Wizard); break; case 3: run.section(ITCSimulation200,AddSimCurve); break; case 4: run.section(ITCSimulation200,INJSave); break; case 5: run.section(ITCSimulation200,NewPar); break; case 6: run.section(ITCSimulation200,NewRunPar); break; case 7: run.section(ITCSimulation200,MaxQuality); break; case 8: run.section(ITCSimulation200,MinSample); break; case 9: run.section(ITCSimulation200,SimPrint); break; case 10: run.section(ITCSimulation200,DHExport); break; case 11: run.section(ITCSimulation200,Refresh); break; } k #- fΒn?邖g?( InjVol ( QMfn?邖g?(   tInjection Volume (uL) ffffff??D@? KVV)RK)Number of Injections L InjVChange=1; BindConstChange=0; run.section(ITCSimulation200,Simulator); k #D;#IпEkW?( KD (   ;#IпEkW?( Check?? ^|f|n|Show KdAdvanced FeaturesShow Parameters in Plotitem 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20  switch (index) { case 1: if(model.v1==1) { if(kd.v1==1) { k1.show=0; kd1.show=1; kd1.value=1/k1.value; } if(kd.v1==0) { k1.show=1; kd1.show=0; k1.value=1/kd1.value; } } if(model.v2==1) { if(kd.v1==1) { k1.show=0; kd1.show=1; k2.show=0; kd2.show=1; kd1.value=1/k1.value; kd2.value=1/k2.value; } if(kd.v1==0) { k1.show=1; kd1.show=0; k2.show=1; kd2.show=0; k1.value=1/kd1.value; k2.value=1/kd2.value; } } break; case 2: if(kd.v2==1) { C.show=1; Const.show=1; } if(kd.v2==0) { C.show=0; Const.show=0; } break; case 3: run.section(ITCSimulation200,plotparameters); break; } k #$ r$yRnǗ?joKM( Model ( r $yRnǗ?joKM( ITC Binding Models ?  &N NaOne Set of SitesTwo Set of Sitesitem 3item 4item 5item 6item 7item 8item 9item 10item 11item 12item 13item 14item 15item 16item 17item 18item 19item 20  switch (index) { case 1: model.v1=1; model.v2=0; n2.show=0; k2.show=0; kd2.show=0; dh2.show=0; first.show=0; second.show=0; c.show=1; const.show=1; run.section(ITCSimulation200,Simulator); break; case 2: model.v1=0; model.v2=1; n2.show=1; k2.show=1; dh2.show=1; first.show=1; second.show=1; c.show=0; const.show=0; run.section(ITCSimulation200,Simulator); break; } k #. nq?X< ?( CellC ( Hnq?X< ?(   tCell Concentration (mM) {Gzt?MbP?$@& .> DRR"ND"Cell Concentration t cellc.inc=0.1*10^(int(log(cellc.v1))); concchange=1; BindConstChange=0; run.section(ITCSimulation200,Simulator); k #/ Xjt'?zR?( SyrC ( Gt'?zR?(   tSyringe Concentration (mM) ??}Ô%IT0.++ P('PLSyringe Concentration r syrc.inc=0.5*10^(int(log(syrc.v1))); Concchange=1; BindConstChange=0; run.section(ITCSimulation200,Simulator); k #81%{Ŀ}>?(>>__LayerInfoStorage7 ( z{Ŀ}>?(      2      f\(      P      2      ]o      P             [GETITCFILE]ERR ? HFILE @r@ CURROW @ ROWS r@ PCOUNT2 ? FP @ XP1 @ XP2 @ YP1 R{m$ YP2 6% SLOPE  INTCPT 6$g^$ DIFF1 b^Et@ DIFF2 ÷? TM1 ƃ-v'<@ STATUS DIFF1B 8-{\k? DIFF2B C>2m[@ FCOUNT EMPTY ERR LEVELCHANGE ? MENULEVEL @ NUMLEVELS "@ LEV @ ITCMENULEVEL @ NEWMENULEVEL `@ II @ LENGTH :@ JJ ,@ OFFSET ,t ARAW_CP ,t OLD @ OLDYOFFSET POWER Ü@ NUMPTS 9@ R @ C @ VO ? NI $@ DH L MO {Gzt? TO ? V Xj#݊? XX &@ CONCCHANGE INJVCHANGE SYRNG_C_SIMDATA ? CELL_C_SIMDATA {Gzt? ITC_CELL_VOL ? TOTALHEAT DQg( AVEHEAT SYRNG_C_MAX Y@ CELL_C_MAX @ SYRNG_C_MIN ? CELL_C_MIN {Gzt? SYRNG_C_OPT @ CELL_C_OPT ? NCOLUMN ? NROW ? FIRSTHEAT xK MAXC @ TOTALVOL f@ MINTOTALHEAT >Gr8 FACTOR `J? NEWINJ I85@ MINC {Gzt? OPTC ? MINCONCFACTOR b_@ MINHEAT W^LK BINDCONSTCHANGE ? CCHANGE ? SIMDATACONCFACTOR {@ SIMDATAHEAT ێ>0I SIMDATAINJFACTOR k(rH? SIMDATAFIRST я͒ OPTCONCFACTOR dYo@ OPTHEAT DØ0I MININJFACTOR `J? MINFIRST 頁k] OPTINJFACTOR /H? OPTFIRST  N1 ? K1 .A H1 L N2 ? K2 SA H2 @ @ ResultsLog     6 ΤBAJWBA ITCExpert200