##TITLE=T1 experiment (2.5s) ##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 $$ 2008-06-24 10:53:34.721 -0700 Kasie@GROUPPC04 $$ 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 $$ ##OWNER= albert $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/3/audita.txt $$ ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, VERSION, WHAT) ( 1,<2008-05-17 10:26:46.424 -0400>,,,, ) $$ ##END= $$ $$ $$ hash MD5 $$ $$ E9 B7 FE 92 ED 76 33 BE 12 D2 DF C3 2D A4 00 24 ##$RELAX= ##$BRUKER FILE EXP=format.temp $$ 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 10:18:46.936 -0400 albert@nmrpc.chem.ucr.edu $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/3/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 2.5 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= 1211034406 ##$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= 30648 ##$YMIN_a= -50031 ##$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= 159.5916 ##$PHC1= -206.7276 ##$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 $$ --------------------------------- ##NTUPLES= NMR FID ##VAR_NAME= TIME, FID/REAL, FID/IMAG ##SYMBOL= X, R, I ##VAR_TYPE= INDEPENDENT, DEPENDENT, DEPENDENT ##VAR_FORM= AFFN, ASDF, ASDF ##VAR_DIM= 14397, 14397, 14397 ##UNITS= SECONDS, ARBITRARY UNITS, ARBITRARY UNITS ##FACTOR= 0.0001389, 1, 1 ##FIRST= 0, -9556, -26556 ##LAST= 1.9996044, 0, 0 ##MIN= 0, -50031, -50031 ##MAX= 1.9996044, 30648, 30648 $$ Real data points ##PAGE= N=1 ##DATA TABLE= (X++(R..R)), XYDATA 0i556j0607j8999r747R235J8353J0021o604j7414j1699N839J9642J4285p219k0172 14c4642j0549R658J8053P649o037j1950q610J287J2459J4271n67j7087j3612N717 28c3960J7251P130p553r985l930J283M558P818M018q418j2521o67J2719Q713n426 43a8970q815r20L841J548Q69L557Q13n430l839M718P212o40n186N8M272P42l526 60a9696j27M522K235k653k779M25J095L06K054K074j953n630k516M853O254R05 76a0631n498o051j511M754P236K734n401q169k157O399Q356K843m178p899m477 91b3650M715J1357O952o265j2249l762Q681J0919K693n232p493m937K065J0052 105f154R836l256j4643q619P714J3819L748p435q416l451J426O747Q700J247j1685 120a0422j1712L686J4525P655o724r748k530L364N367N873L011n959j0358o64 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