##TITLE=T1 experiment (4s) ##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 $$ 2008-06-24 10:54:34.127 -0700 Kasie@GROUPPC04 $$ 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 $$ ##OWNER= albert $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/6/audita.txt $$ ##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, VERSION, WHAT) ( 1,<2008-05-17 10:51:39.708 -0400>,,,, ) $$ ##END= $$ $$ $$ hash MD5 $$ $$ B6 83 DB AA AC E3 B6 5A EE BD D0 84 F8 5F C4 E7 ##$RELAX= ##$BRUKER FILE EXP=format.temp $$ 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 10:43:22.089 -0400 albert@nmrpc.chem.ucr.edu $$ $$ /opt/topspin/data/albert/nmr/T1-measurement-KHP-051708/6/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 4 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= 1211035899 ##$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= 26749 ##$YMIN_a= -50086 ##$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= 150.5916 ##$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 $$ --------------------------------- ##NTUPLES= NMR FID ##VAR_NAME= TIME, FID/REAL, FID/IMAG ##SYMBOL= X, R, I ##VAR_TYPE= INDEPENDENT, DEPENDENT, DEPENDENT ##VAR_FORM= AFFN, ASDF, ASDF ##VAR_DIM= 14397, 14397, 14397 ##UNITS= SECONDS, ARBITRARY UNITS, ARBITRARY UNITS ##FACTOR= 0.0001389, 1, 1 ##FIRST= 0, 5838, -8480 ##LAST= 1.9996044, 0, 0 ##MIN= 0, -50086, -50086 ##MAX= 1.9996044, 26749, 26749 $$ Real data points ##PAGE= N=1 ##DATA TABLE= (X++(R..R)), XYDATA 0E838k1312j3519n426M176J4756J8544K524k9697k5631J1212L4436J6902k2041 13i238k5507l995J1737J4301O078J163j3144k0534p25K1584K3396o458k7595j1460 27d0397J1140K0037N453p843p130p651j94P820J2494O024j3696j4396Q08J5107 41a2424J2283p448j1089k897M778N168j806J927J215m618n132n91J0072L532q110 56a5140n508K953Q203l709q351M097Q692J633j1167n227R740N844k463m576L189 71a1790K862q851j955J1950J1373p430j9845K12J6907R820o186j0661Q48K38k597 86a5105O630J1079J208j9600j4187J3637K0810L568j7807j2389M246O277O062 99e571M402J182r573j6209L276K0390J3892r751k2293l699J2446J3166L337o448 113a453o292q003p04J2409J3146J045j7954j3944P259J6931R772r110j2655l893 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