##TITLE=T1 experiment (2s) ##JCAMPDX= 6.0 $$ Bruker NMR JCAMP-DX V2.0 ##DATA TYPE= NMR FID ##DATA CLASS= NTUPLES ##ORIGIN= UXNMR, Bruker Analytische Messtechnik GmbH ##OWNER= root $$ TOPSPIN Version 1.3 $$ 2008-06-24 10:53:19.893 -0700 Kasie@GROUPPC04 $$ Compression mode = diff/dup ##.OBSERVE FREQUENCY= 599.92282029 ##.OBSERVE NUCLEUS= ^1H ##.DELAY= (99.2143, 99.2143) ##.ACQUISITION MODE= SIMULTANEOUS ##.ACQUISITION SCHEME= States-TPPI ##.AVERAGES= 8 ##.DIGITISER RES= 16 ##SPECTROMETER/DATA SYSTEM= spect ##.PULSE SEQUENCE= t1ir1d ##.SOLVENT NAME= D2O ##.SHIFT REFERENCE= INTERNAL, D2O, 1, 10.81098 ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, WHAT) $$ ##TITLE= Audit trail, TOPSPIN Version 1.3 $$ ##JCAMPDX= 5.01 $$ ##ORIGIN= Bruker BioSpin GmbH $$ ##OWNER= albert $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/2/audita.txt $$ ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, VERSION, WHAT) ( 1,<2008-05-17 10:18:41.058 -0400>,,,, ) $$ ##END= $$ $$ $$ hash MD5 $$ $$ 5E B0 96 99 0B 47 6B 66 89 1F F5 5B D3 6D 6A 20 ##$RELAX= ##$BRUKER FILE EXP=format.temp $$ EDIT_PAR COMMAND FILE $$ $$ DI_MODE LONG $$ ED_ENTRY ACQU $$ ORDER FILE $$ $$ $$ HEADER "F2 - Acquisition Parameters" $$ T_NAME Date_ $$ TYPE R64 $$ CLASS ACQU $$ SUBRANGE 0.0 50000000 $$ REL "Date_=itodate(DATE)" $$ INV_REL "DATE=datetoi(Date_,DATE)" $$ FORMAT "%14.0f" $$ TEXT " " $$ END $$ T_NAME Time $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1000000 $$ REL "Time=itotime(DATE)" $$ INV_REL "DATE=timetoi(Time,DATE)" $$ FORMAT "%14.2f" $$ TEXT " " $$ END $$ NAME INSTRUM $$ TEXT " " $$ END $$ NAME PROBHD $$ FORMAT "%14.14s" $$ TEXT " " $$ END $$ NAME PULPROG $$ TEXT " " $$ END $$ NAME TD $$ TEXT " " $$ END $$ NAME SOLVENT $$ TEXT " " $$ END $$ NAME NS $$ TEXT " " $$ END $$ NAME DS $$ TEXT " " $$ END $$ T_NAME SWH $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1e8 $$ REL "SWH=SW*SFO1" $$ INV_REL "SW=SWH/SFO1" $$ UNIT "Hz" $$ FORMAT "%14.3f Hz" $$ TEXT " " $$ END $$ T_NAME FIDRES $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 100000 $$ REL "FIDRES=SW*SFO1/TD" $$ INV_REL "TD = nextpow(SW*SFO1/FIDRES)" $$ UNIT "Hz" $$ FORMAT "%14.6f Hz" $$ TEXT " " $$ END $$ T_NAME AQ $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1000 $$ REL "AQ=aqcalc(SW,SFO1,TD,DIGTYP)" $$ INV_REL "TD=tdcalc(SW,SFO1,1.0e6*AQ,DIGTYP)" $$ UNIT "sec" $$ FORMAT "%14.7f sec" $$ TEXT " " $$ END $$ NAME RG $$ TEXT " " $$ END $$ T_NAME DW $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1000000 $$ REL "DW=1/(2*SW*SFO1)" $$ INV_REL "SW=1000000/(2*(0.005+DW)*SFO1)" $$ UNIT "usec" $$ FORMAT "%14.3lf usec" $$ TEXT " " $$ END $$ NAME DE $$ FORMAT "%14.2f usec" $$ TEXT " " $$ END $$ NAME TE $$ FORMAT "%14.1f K" $$ TEXT " " $$ END $$ T_NAME D1 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1e38 $$ REL "D1=D[1]" $$ INV_REL "D[1]=D1" $$ UNIT "sec" $$ FORMAT "%14.8f sec" $$ TEXT " " $$ END $$ T_NAME D7 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1e38 $$ REL "D7=D[7]" $$ INV_REL "D[7]=D7" $$ UNIT "sec" $$ FORMAT "%14.8f sec" $$ TEXT " " $$ END $$ NAME TD0 $$ TEXT " " $$ END $$ HEADER "======== CHANNEL f1 ========" $$ NAME NUC1 $$ NONEDIT $$ TEXT " " $$ END $$ T_NAME P1 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE 0.0 1.0e10 $$ REL "P1=P[1]" $$ INV_REL "P[1]=P1" $$ UNIT "usec" $$ FORMAT "%14.2f usec" $$ TEXT " " $$ END $$ T_NAME p2 $$ TYPE R32 $$ SUBRANGE -1e38 1e38 $$ CLASS ACQU $$ REL "p2=p1*2" $$ INV_REL "D[0]=p2" $$ UNIT "usec" $$ TEXT " " $$ FORMAT "%14.2f usec" $$ NONEDIT $$ END $$ T_NAME PL1 $$ TYPE R32 $$ CLASS ACQU $$ SUBRANGE -6.0 1e38 $$ REL "PL1=PL[1]" $$ INV_REL "PL[1]=PL1" $$ UNIT "dB" $$ FORMAT "%14.2f dB" $$ TEXT " " $$ END $$ NAME SFO1 $$ FORMAT "%14.7f MHz" $$ TEXT " " $$ END ##$RELAX= ##$BRUKER FILE EXP=scon $$ ##TITLE= Parameter file, TOPSPIN Version 1.3 $$ ##JCAMPDX= 5.0 $$ ##DATATYPE= Parameter Values $$ ##ORIGIN= Bruker BioSpin GmbH $$ ##OWNER= albert $$ $$ 2008-05-17 10:10:47.361 -0400 albert@nmrpc.chem.ucr.edu $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/2/scon $$ ##$BLKPA= (0..15) 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 $$ ##$BLKTR= (0..15) 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 $$ ##$DE1= 2 $$ ##$DE2= 2 $$ ##$DEADC= 4 $$ ##$DEPA= 2 $$ ##$DERX= 3 $$ ##$PHASP4= (0..15) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 $$ ##$PHASPR= (0..15) 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 $$ ##$SHAPPR= (0..15) 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 $$ ##END= ##$RELAX= ##$BRUKER FILE EXP=pulseprogram $$ # 1 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ ;t1ir1d $$ ;avance-version (04/12/21) $$ ;T1 measurement using inversion recovery $$ ; $$ ;$CLASS=HighRes $$ ;$DIM=1D $$ ;$TYPE= $$ ;$SUBTYPE= $$ ;$COMMENT= $$ $$ $$ # 1 "/opt/topspin/exp/stan/nmr/lists/pp/Avance.incl" 1 $$ ;Avance2.incl $$ ; for 1 $$ ; $$ ;avance-version (06/02/20) $$ ; $$ ;$CLASS=HighRes Incl $$ ;$COMMENT= $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ $$ ;$Id: Avance2.incl,v 1.10.6.5 2006/03/10 18:08:31 ber Exp $ $$ # 12 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" 2 $$ $$ $$ $$ "p2=p1*2" $$ $$ $$ # 1 "mc_line 18 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding definition part of mc command before ze" $$ define delay MCWRK $$ define delay MCREST $$ "MCWRK = 0.500000*30m" $$ "MCREST = 30m - 30m" $$ # 18 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ 1 ze $$ # 1 "mc_line 18 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding definition of mc command after ze" $$ # 19 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ # 1 "mc_line 19 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding start label for mc command" $$ 2 MCWRK * 2 $$ LBLF0, MCREST $$ # 20 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ d1 $$ p2 ph1 $$ d7 $$ p1 ph2 $$ go=2 ph31 $$ # 1 "mc_line 25 file /opt/topspin/exp/stan/nmr/lists/pp/t1ir1d expanding mc command in line" $$ MCWRK wr #0 $$ MCWRK zd $$ lo to LBLF0 times td0 $$ $$ # 26 "/opt/topspin/exp/stan/nmr/lists/pp/t1ir1d" $$ exit $$ $$ $$ ph1=0 2 $$ ph2=0 0 2 2 1 1 3 3 $$ ph31=0 0 2 2 1 1 3 3 $$ $$ $$ ;pl1 : f1 channel - power level for pulse (default) $$ ;p1 : f1 channel - 90 degree high power pulse $$ ;p2 : f1 channel - 180 degree high power pulse $$ ;d1 :relaxation delay; 1-5 * T1 $$ ;d7 : delay for inversion recovery $$ ;NS :8 * n, total number of scans: NS * TD0 $$ ;DS :4 $$ $$ $$ $$ ;$Id: t1ir1d,v 1.7.10.2 2005/11/10 13:18:59 ber Exp $ ##$RELAX= ##$BRUKER FILE EXP=uxnmr.par $$ ##TITLE= Parameter file, TOPSPIN Version 1.3 $$ ##JCAMPDX= 5.0 $$ ##DATATYPE= Parameter Values $$ ##ORIGIN= Bruker BioSpin GmbH $$ ##OWNER= nmrsu $$ $$ 2008-03-26 07:58:33.240 -0500 nmrsu@nmrpc.chem.ucr.edu $$ $$ /opt/topspin/conf/instr/spect/uxnmr.par $$ ##$ACB= 0 $$ ##$ACBTAT= (0..15) 0 88 72 88 50 0 0 0 0 0 0 0 0 0 0 0 $$ ##$ACBTBA= (0..15) 0 0 0 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##$AUNM= ##$AUTOPOS= <> ##$BF1= 599.92 ##$BF2= 599.92 ##$BF3= 599.92 ##$BF4= 600.13 ##$BF5= 500.13 ##$BF6= 500.13 ##$BF7= 500.13 ##$BF8= 500.13 ##$BYTORDA= 1 ##$CFDGTYP= 2 ##$CFRGTYP= 5 ##$CHEMSTR= ##$CNST= (0..63) 1 1 145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ##$CPDPRG= <> ##$CPDPRG1= <> ##$CPDPRG2= <> ##$CPDPRG3= <> ##$CPDPRG4= <> ##$CPDPRG5= ##$CPDPRG6= ##$CPDPRG7= ##$CPDPRG8= ##$CPDPRGB= <> ##$CPDPRGT= <> ##$D= (0..63) 3e-006 35 0 0 0 0 0 2 0 0.08 0 0.03 2e-005 3e-006 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$DATE= 1211033920 ##$DBL= (0..7) 120 120 120 120 120 120 120 120 ##$DBP= (0..7) 150 150 150 150 150 150 150 150 ##$DBP07= 0 ##$DBPNAM0= ##$DBPNAM1= ##$DBPNAM2= ##$DBPNAM3= ##$DBPNAM4= ##$DBPNAM5= ##$DBPNAM6= ##$DBPNAM7= ##$DBPOAL= (0..7) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 ##$DBPOFFS= (0..7) 0 0 0 0 0 0 0 0 ##$DE= 99.21429 ##$DECBNUC= 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##$GPNAM22= ##$GPNAM23= ##$GPNAM24= ##$GPNAM25= ##$GPNAM26= ##$GPNAM27= ##$GPNAM28= ##$GPNAM29= ##$GPNAM3= ##$GPNAM30= ##$GPNAM31= ##$GPNAM4= ##$GPNAM5= ##$GPNAM6= ##$GPNAM7= ##$GPNAM8= ##$GPNAM9= ##$GPX= (0..31) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$GPY= (0..31) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$GPZ= (0..31) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$GRDPROG= <> ##$GRPDLY= -1 ##$HDDUTY= 20 ##$HDRATE= 20 ##$HGAIN= (0..3) 0 0 0 0 ##$HL1= 512 ##$HL2= 55 ##$HL3= 17 ##$HL4= 83 ##$HOLDER= 0 ##$HPMOD= (0..7) 0 0 0 0 0 0 0 0 ##$HPPRGN= 0 ##$IN= (0..31) 0.0001632 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 ##$INP= (0..31) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$INSTRUM= ##$L= (0..31) 1 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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150 150 150 150 150 150 ##$SP07= 0 ##$SPECTR= 0 ##$SPNAM0= ##$SPNAM1= ##$SPNAM10= ##$SPNAM11= ##$SPNAM12= ##$SPNAM13= ##$SPNAM14= ##$SPNAM15= ##$SPNAM16= ##$SPNAM17= ##$SPNAM18= ##$SPNAM19= ##$SPNAM2= ##$SPNAM20= ##$SPNAM21= ##$SPNAM22= ##$SPNAM23= ##$SPNAM24= ##$SPNAM25= ##$SPNAM26= ##$SPNAM27= ##$SPNAM28= ##$SPNAM29= ##$SPNAM3= ##$SPNAM30= ##$SPNAM31= ##$SPNAM4= ##$SPNAM5= ##$SPNAM6= ##$SPNAM7= ##$SPNAM8= ##$SPNAM9= ##$SPOAL= (0..31) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 ##$SPOFFS= (0..31) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ##$SUBNAM0= <""> ##$SUBNAM1= <""> ##$SUBNAM2= <""> ##$SUBNAM3= <""> ##$SUBNAM4= <""> ##$SUBNAM5= <""> ##$SUBNAM6= <""> ##$SUBNAM7= <""> ##$SUBNAM8= <""> ##$SUBNAM9= <""> ##$SW= 12.0005837460828 ##$SWIBOX= (0..15) 0 1 2 3 4 0 0 0 0 0 0 0 0 0 0 0 ##$SW_h= 7199.42404607631 ##$TD= 28794 ##$TD0= 1 ##$TE= 298 ##$TE2= 300 ##$TE3= 300 ##$TEG= 300 ##$TL= (0..7) 0 120 120 120 120 120 120 120 ##$TP= (0..7) 150 150 150 150 150 150 150 150 ##$TP07= 0 ##$TPNAME0= ##$TPNAME1= ##$TPNAME2= ##$TPNAME3= ##$TPNAME4= ##$TPNAME5= ##$TPNAME6= ##$TPNAME7= ##$TPOAL= (0..7) 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 ##$TPOFFS= (0..7) 0 0 0 0 0 0 0 0 ##$TUNHIN= 0 ##$TUNHOUT= 0 ##$TUNXOUT= 0 ##$USERA1= ##$USERA2= ##$USERA3= ##$USERA4= ##$USERA5= ##$V9= 5 ##$VALIST= ##$VCLIST= ##$VD= 0 ##$VDLIST= ##$VPLIST= ##$VTLIST= ##$WBST= 1024 ##$WBSW= 40 ##$XGAIN= (0..3) 0 0 0 0 ##$XL= 0 ##$YL= 0 ##$YMAX_a= 32523 ##$YMIN_a= -53116 ##$ZGOPTNS= <> ##$ZL1= 120 ##$ZL2= 120 ##$ZL3= 120 ##$ZL4= 120 ##$ABSF1= 1000 ##$ABSF2= -1000 ##$ABSG= 5 ##$ABSL= 3 ##$ALPHA= 0 ##$AQORDER= 0 ##$ASSFAC= 0 ##$ASSFACI= 0 ##$ASSFACX= 0 ##$ASSWID= 0 ##$AUNMP= ##$AXLEFT= 0 ##$AXRIGHT= 0 ##$AXTYPE= 0 ##$AXUNIT= <> ##$AZFE= 0.1 ##$AZFW= 0.5 ##$BCFW= 1 ##$BC_mod= 0 ##$BYTORDP= 0 ##$COROFFS= 0 ##$CY= 100 ##$DATMOD= 1 ##$DC= 2 ##$DFILT= <> ##$DTYPP= 0 ##$F1P= 3.51603733374925 ##$F2P= 3.25078754924928 ##$FCOR= 0.5 ##$FTSIZE= 131072 ##$FT_mod= 0 ##$GAMMA= 0 ##$GB= 0 ##$INTBC= 1 ##$INTSCL= 1 ##$ISEN= 128 ##$LB= 2 ##$LEV0= 35 ##$LPBIN= 0 ##$MAXI= -0.4532506 ##$MC2= 0 ##$MEAN= 0 ##$ME_mod= 0 ##$MI= 50 ##$NCOEF= 0 ##$NC_proc= 0 ##$NLEV= 6 ##$NOISF1= 0.15 ##$NOISF2= 0.1 ##$NSP= 1 ##$NTH_PI= 0 ##$NZP= 0 ##$OFFSET= 10.81098 ##$PC= 4 ##$PHC0= 104.8 ##$PHC1= 0 ##$PH_mod= 1 ##$PKNL= yes ##$PPARMOD= 0 ##$PPDIAG= 0 ##$PPIPTYP= 0 ##$PPMPNUM= 100 ##$PPRESOL= 1 ##$PSCAL= 0 ##$PSIGN= 0 ##$REVERSE= no ##$SF= 599.919934279348 ##$SI= 131072 ##$SIGF1= 0.04 ##$SIGF2= -0.02 ##$SINO= 16 ##$SIOLD= 131072 ##$SREGLST= ##$SSB= 0 ##$STSI= 0 ##$STSR= 0 ##$SW_p= 7199.42404607633 ##$SYMM= 0 ##$S_DEV= 0 ##$TDeff= 0 ##$TDoff= 0 ##$TI= <> ##$TILT= no ##$TM1= 0 ##$TM2= 0 ##$TOPLEV= 100 ##$USERP1= ##$USERP2= ##$USERP3= ##$USERP4= ##$USERP5= ##$WDW= 1 ##$XDIM= 8192 ##$YMAX_p= 0 ##$YMIN_p= 0 $$ End of Bruker specific parameters $$ --------------------------------- ##NTUPLES= NMR FID ##VAR_NAME= TIME, FID/REAL, FID/IMAG ##SYMBOL= X, R, I ##VAR_TYPE= INDEPENDENT, DEPENDENT, DEPENDENT ##VAR_FORM= AFFN, ASDF, ASDF ##VAR_DIM= 14397, 14397, 14397 ##UNITS= SECONDS, ARBITRARY UNITS, ARBITRARY UNITS ##FACTOR= 0.0001389, 1, 1 ##FIRST= 0, -16788, -33729 ##LAST= 1.9996044, 0, 0 ##MIN= 0, -53116, -53116 ##MAX= 1.9996044, 32523, 32523 $$ Real data points ##PAGE= N=1 ##DATA TABLE= (X++(R..R)), XYDATA 0a6788n268k0268j0792J0800J8613N548r907j0848m945L128J1929J2248l14j6569 14c3433j2816Q544J8409P706q775j0553k879K020P584R519K217j1469j3864L113 28c4677J5084P415p354j0376j947J905K598N290K910n397j1018j251J0872O711 42a9235m399p311J50L387k94J857M077O59n370l035O748N480k391l521K446M687 58a6065k519l339L500M551p61m295Q69K923k715k049L802M875m052q957M35P438 74a6359L376l974m009J91j894j000N706O345k780j1514k935R938Q614j192o220 89a7707k190J16M89O538Q031q53j1399o981R366J2424J361p663n790K65J163N066 105g764P305J06j0558j0096N071J3354L506p673q578r66K293L531O240J261q093 120a1061j0050J895J2876O058n460p790j711L440L414N518L443n266q215k60J0974 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