##TITLE=	Feb27-2020.660.1.1r
KC2
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##DATA TYPE=	LINK
##BLOCK_ID=	1
##BLOCKS=	2    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	kct19
##$MNOVA/LINK_BLOCK_TYPE=	ITEM	$$ NMR Spectrum
##$MNOVA/ITEM/POLYGON=	(XY..XY)
5321,5835
8722,5835
8722,8208
5321,8208
5321,5835
##$MNOVA/ITEM/Z=	0
##$MNOVA/ITEM/ANGLE=	0
##TITLE=	Feb27-2020.660.1.1r
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	2
##DATA TYPE=	NMR SPECTRUM
##DATA CLASS=	XYDATA
##NUMDIM=	1
##ORIGIN=	Bruker BioSpin GmbH
##OWNER=	nmrsu
##.OBSERVE FREQUENCY=	400.05240029848198446
##.OBSERVE NUCLEUS=	^1H
##.SOLVENT NAME=	CDCl3
##.PULSE SEQUENCE=	zg30
##LONGDATE=	2020/02/27 18:10:00.000
##.ACQUISITIONMODE=	SIMULTANEOUS
##$ORIGINAL FORMAT=	Bruker XWIN-NMR
##$MNOVA/SCALES_VERSION=	8
##$PARAMETER FILE=	(acqus, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/acqus, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 1	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2020-02-27 19:02:32.201 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/660/acqus
$$ $$ process /opt/topspin3.2/prog/mod/dirdata
$$ ##$ACQT0= -2.04831932773109
$$ ##$AMP= (0..31)
$$ 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100
$$ 100 100 100 100 100 100 100 100 100 100 100 100 100 100
$$ ##$AMPCOIL= (0..19)
$$ -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ANAVPT= -1
$$ ##$AQSEQ= 0
$$ ##$AQ_mod= 3
$$ ##$AUNM= <au_zg>
$$ ##$AUTOPOS= <6 >
$$ ##$BF1= 400.05
$$ ##$BF2= 400.05
$$ ##$BF3= 400.05
$$ ##$BF4= 400.05
$$ ##$BF5= 400.05
$$ ##$BF6= 400.05
$$ ##$BF7= 400.05
$$ ##$BF8= 400.05
$$ ##$BYTORDA= 0
$$ ##$CAGPARS= (0..11)
$$ 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$CFDGTYP= 0
$$ ##$CFRGTYP= 9
$$ ##$CHEMSTR= <none>
$$ ##$CNST= (0..63)
$$ 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
$$ 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 1 1 1
$$ ##$CPDPRG= (0..8)
$$ <> <> <> <> <> <> <> <> <>
$$ ##$D= (0..63)
$$ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 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= 1582827015
$$ ##$DE= 6.5
$$ ##$DECBNUC= <off>
$$ ##$DECIM= 2496
$$ ##$DECNUC= <off>
$$ ##$DECSTAT= 4
$$ ##$DIGMOD= 1
$$ ##$DIGTYP= 12
$$ ##$DQDMODE= 0
$$ ##$DR= 22
$$ ##$DS= 4
$$ ##$DSPFIRM= 0
$$ ##$DSPFVS= 20
$$ ##$DTYPA= 0
$$ ##$EXP= <proton>
$$ ##$F1LIST= <>
$$ ##$F2LIST= <>
$$ ##$F3LIST= <>
$$ ##$FCUCHAN= (0..9)
$$ 0 2 0 0 0 0 0 0 0 0
$$ ##$FL1= 90
$$ ##$FL2= 90
$$ ##$FL3= 90
$$ ##$FL4= 90
$$ ##$FOV= 20
$$ ##$FQ1LIST= <>
$$ ##$FQ2LIST= <>
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$$ ##$FQ4LIST= <>
$$ ##$FQ5LIST= <>
$$ ##$FQ6LIST= <>
$$ ##$FQ7LIST= <>
$$ ##$FQ8LIST= <>
$$ ##$FRQLO3= 15959.0749999881
$$ ##$FRQLO3N= 2
$$ ##$FS= (0..7)
$$ 83 83 83 83 83 83 83 83
$$ ##$FTLPGN= 0
$$ ##$FW= 125000
$$ ##$FnMODE= 0
$$ ##$FnTYPE= 0
$$ ##$GPNAM= (0..31)
$$ <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <>
$$ <> <> <> <> <> <> <> <>
$$ ##$GPX= (0..31)
$$ 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= 67.9842376708984
$$ ##$HDDUTY= 20
$$ ##$HDRATE= 1
$$ ##$HGAIN= (0..3)
$$ 0 0 0 0
$$ ##$HL1= 1
$$ ##$HL2= 35
$$ ##$HL3= 16
$$ ##$HL4= 17
$$ ##$HOLDER= 6
$$ ##$HPMOD= (0..7)
$$ 0 0 0 0 0 0 0 0
$$ ##$HPPRGN= 0
$$ ##$IN= (0..63)
$$ 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
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$INF= (0..7)
$$ 0 0 0 0 0 0 0 0
$$ ##$INP= (0..63)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$INSTRUM= <spect>
$$ ##$L= (0..31)
$$ 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
$$ ##$LFILTER= 100
$$ ##$LGAIN= -12
$$ ##$LINPSTP= 0
$$ ##$LOCKED= yes
$$ ##$LOCKFLD= 1791
$$ ##$LOCKGN= 126.22583770752
$$ ##$LOCKPOW= -30
$$ ##$LOCKPPM= 7.23999977111816
$$ ##$LOCNUC= <2H>
$$ ##$LOCPHAS= 197.4859
$$ ##$LOCSHFT= yes
$$ ##$LOCSW= 0
$$ ##$LTIME= 0.400000005960464
$$ ##$MASR= 4200
$$ ##$MASRLST= <masrlst>
$$ ##$MULEXPNO= (0..15)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$NBL= 1
$$ ##$NC= -6
$$ ##$NLOGCH= 2
$$ ##$NOVFLW= 0
$$ ##$NS= 16
$$ ##$NUC1= <1H>
$$ ##$NUC2= <off>
$$ ##$NUC3= <off>
$$ ##$NUC4= <off>
$$ ##$NUC5= <off>
$$ ##$NUC6= <off>
$$ ##$NUC7= <off>
$$ ##$NUC8= <off>
$$ ##$NUCLEUS= <off>
$$ ##$NUSLIST= <automatic>
$$ ##$NusAMOUNT= 25
$$ ##$NusFPNZ= no
$$ ##$NusJSP= 0
$$ ##$NusSEED= 54321
$$ ##$NusT2= 1
$$ ##$NusTD= 0
$$ ##$O1= 2400.3
$$ ##$O2= 2470.47
$$ ##$O3= 2470.47
$$ ##$O4= 2470.47
$$ ##$O5= 2470.47
$$ ##$O6= 2470.47
$$ ##$O7= 2470.47
$$ ##$O8= 2470.47
$$ ##$OVERFLW= 0
$$ ##$P= (0..63)
$$ 9.75 9.75 19.5 0 0 17.16 26 52 20000 0 0 80000 80000 1000 0 0 1000 2500
$$ 100000 600 0 0 0 0 0 126 100000 9.75 1000 1000 0 0 20000 0 0 0 0 0 0 0
$$ 2000 0 0 0 300 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$PACOIL= (0..15)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$PAPS= 0
$$ ##$PARMODE= 0
$$ ##$PCPD= (0..9)
$$ 0 90 0 0 0 0 0 0 0 0
$$ ##$PEXSEL= (0..9)
$$ 1 1 1 1 1 1 1 1 1 1
$$ ##$PHCOR= (0..31)
$$ 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
$$ ##$PHLIST= <>
$$ ##$PHP= 1
$$ ##$PH_ref= 0
$$ ##$PL= (0..63)
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120
$$ ##$PLSTEP= 0.1
$$ ##$PLSTRT= -6
$$ ##$PLW= (0..63)
$$ 0 17 0 0 0 0 0 0 0 6.4642e-05 2.3906 0.13356 0 0 0 0 0 0 17 0.19951 0 0
$$ 0 0 0 0 0 0.40717 0 2.3906 0 0 2.5857e-06 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$PLWMAX= (0..7)
$$ 41.6 0 0 0 0 0 0 0
$$ ##$POWMOD= 0
$$ ##$PQPHASE= 0
$$ ##$PQSCALE= 1
$$ ##$PR= 1
$$ ##$PRECHAN= (0..15)
$$ -1 2 0 1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ ##$PRGAIN= 0
$$ ##$PROBHD= <5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0188
$$ >
$$ ##$PULPROG= <zg30>
$$ ##$PW= 0
$$ ##$PYNM= <>
$$ ##$QNP= 0
$$ ##$RD= 0
$$ ##$RECCHAN= (0..15)
$$ 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$RECPH= 0
$$ ##$RECPRE= (0..15)
$$ 0 0 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ ##$RECPRFX= (0..15)
$$ 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$RECSEL= (0..15)
$$ 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$RG= 42.71
$$ ##$RO= 20
$$ ##$ROUTWD1= (0..23)
$$ 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0
$$ ##$ROUTWD2= (0..23)
$$ 0 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0
$$ ##$RSEL= (0..15)
$$ 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$S= (0..7)
$$ 83 4 83 83 83 83 83 83
$$ ##$SELREC= (0..9)
$$ 0 0 0 0 0 0 0 0 0 0
$$ ##$SFO1= 400.0524003
$$ ##$SFO2= 400.05247047
$$ ##$SFO3= 400.05247047
$$ ##$SFO4= 400.05247047
$$ ##$SFO5= 400.05247047
$$ ##$SFO6= 400.05247047
$$ ##$SFO7= 400.05247047
$$ ##$SFO8= 400.05247047
$$ ##$SOLVENT= <CDCl3>
$$ ##$SOLVOLD= <off>
$$ ##$SP= (0..63)
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120 120
$$ 120 120 120 120 120 120 120 120 120 120
$$ ##$SPECTR= 0
$$ ##$SPINCNT= 0
$$ ##$SPNAM= (0..63)
$$ <> <Gaus1_270.1000> <Gaus1_180r.1000> <> <> <Squa100.1000> <Squa100.1000>
$$ <> <Squa100.1000> <> <Squa100.1000> <Squa100.1000> <> <> <> <> <> <> <>
$$ <Sinc1.1000> <Sinc1.1000> <Sinc1.1000> <Sinc1.1000> <> <> <> <> <> <> <Crp60,20,20.10>
$$ <Bip720,50,20.1> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <> <>
$$ <> <> <> <> <> <> <> <> <> <> <> <> <> <> <>
$$ ##$SPOAL= (0..63)
$$ 0.5 1 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
$$ 1 1 1 1 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5
$$ 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 0.5 0.5
$$ 0.5 0.5 0.5 0.5 0.5 0.5 0.5
$$ ##$SPOFFS= (0..63)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SPPEX= (0..63)
$$ 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
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SPW= (0..63)
$$ 0 1.3416e-05 5.9626e-06 0 0 0.0016161 6.4642e-05 0 1.6161e-07 0 0.0016161
$$ 0.0016161 0 0 0 0 0 0 0 9.51805e-06 1.47955e-05 6.90845e-06 3.72567e-05
$$ 0 0 0 0 0 0 0.061729 1.1492 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SUBNAM= (0..9)
$$ <> <> <> <> <> <> <> <> <> <>
$$ ##$SW= 20.0294274120382
$$ ##$SWIBOX= (0..19)
$$ 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$SW_h= 8012.82051282051
$$ ##$SWfinal= 0
$$ ##$TD= 32768
$$ ##$TD0= 1
$$ ##$TE= 297.0016
$$ ##$TE1= 297.0016
$$ ##$TE2= 0
$$ ##$TE3= 0
$$ ##$TE4= 0
$$ ##$TEG= 300
$$ ##$TE_PIDX= 1
$$ ##$TE_STAB= (0..9)
$$ 2 2 0 0 0 0 0 0 0 0
$$ ##$TL= (0..7)
$$ 120 120 120 120 120 120 120 120
$$ ##$TUNHIN= 0
$$ ##$TUNHOUT= 0
$$ ##$TUNXOUT= 0
$$ ##$USERA1= <>
$$ ##$USERA2= <>
$$ ##$USERA3= <>
$$ ##$USERA4= <>
$$ ##$USERA5= <>
$$ ##$V9= 5
$$ ##$VALIST= <>
$$ ##$VCLIST= <>
$$ ##$VD= 0
$$ ##$VDLIST= <>
$$ ##$VPLIST= <>
$$ ##$VTLIST= <>
$$ ##$WBST= 1024
$$ ##$WBSW= 4
$$ ##$XGAIN= (0..3)
$$ 0 0 0 0
$$ ##$XL= 0
$$ ##$YL= 0
$$ ##$YMAX_a= 2681832
$$ ##$YMIN_a= -3301434
$$ ##$ZGOPTNS= <>
$$ ##$ZL1= 120
$$ ##$ZL2= 120
$$ ##$ZL3= 120
$$ ##$ZL4= 120
$$ ##END=
$$ 
##$PARAMETER FILE=	(audita.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/audita.txt, 0)
$$ ##TITLE= Audit trail, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.01
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/660/audita.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)
$$ (   1,<2020-02-27 18:10:15.379 +0000>,<nmrsu>,<nmrpc>,<go>,<TOPSPIN 3.2>,
$$       <created by zg
$$ 	started at 2020-02-27 18:09:12.717 +0000,
$$ 	POWCHK enabled, PULCHK disabled,
$$        configuration hash MD5:
$$        8A 91 E6 C4 64 AA B7 18 DA B6 E1 A8 9A 5E 4B 87
$$        data hash MD5: 32K
$$        56 23 00 06 07 BE 8B 93 F6 68 E1 89 3F 7E DE 70>)
$$ (   2,<2020-02-27 18:10:16.125 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        56 23 00 06 07 BE 8B 93 F6 68 E1 89 3F 7E DE 70>)
$$ (   3,<2020-02-27 18:10:16.135 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        56 23 00 06 07 BE 8B 93 F6 68 E1 89 3F 7E DE 70>)
$$ (   4,<2020-02-27 19:02:32.203 +0000>,<nmrsu>,<nmrpc>,<dirdata>,<TOPSPIN 3.2>,
$$       <wrpa from 1 660 "Feb27-2020" "/opt/topspin/data/nmr/nmr"
$$        data hash MD5: 32K
$$        56 23 00 06 07 BE 8B 93 F6 68 E1 89 3F 7E DE 70>)
$$ ##END=
$$ 
$$ $$ hash MD5
$$ $$ EF 63 45 1C 68 C0 C7 B5 EB D8 BD 83 15 8C D5 9C
$$ 
##$PARAMETER FILE=	(auditp.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pdata/1/auditp.txt, 0)
$$ ##TITLE= Audit trail, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.01
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/660/pdata/1/auditp.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)
$$ (   1,<2020-02-27 18:10:15.379 +0000>,<nmrsu>,<nmrpc>,<go>,<TOPSPIN 3.2>,
$$       <created by zg
$$ 	started at 2020-02-27 18:09:12.717 +0000,
$$ 	POWCHK enabled, PULCHK disabled,
$$        configuration hash MD5:
$$        8A 91 E6 C4 64 AA B7 18 DA B6 E1 A8 9A 5E 4B 87
$$        data hash MD5: 32K
$$        56 23 00 06 07 BE 8B 93 F6 68 E1 89 3F 7E DE 70>)
$$ (   2,<2020-02-27 18:10:16.125 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        56 23 00 06 07 BE 8B 93 F6 68 E1 89 3F 7E DE 70>)
$$ (   3,<2020-02-27 18:10:16.135 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: nmr
$$        data hash MD5: 32K
$$        56 23 00 06 07 BE 8B 93 F6 68 E1 89 3F 7E DE 70>)
$$ (   4,<2020-02-27 18:10:16.588 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <Start of raw data processing
$$        ef LB = 0.3 FT_mod = 6 PKNL = 1 SI = 32K 
$$        data hash MD5: 32K
$$        85 12 0E 7E F0 3B F5 80 51 E6 48 27 01 B2 19 7D>)
$$ (   5,<2020-02-27 18:10:16.645 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <apks 
$$        data hash MD5: 32K
$$        10 54 1D B5 DF AA 10 FF B2 69 EC A4 5F 5B E7 DB>)
$$ (   6,<2020-02-27 18:10:16.652 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <abs ABSG = 5 
$$        data hash MD5: 32K
$$        53 FA B6 5F F0 DE 12 62 E8 22 1E 67 25 25 01 F0>)
$$ (   7,<2020-02-27 19:02:32.205 +0000>,<nmrsu>,<nmrpc>,<dirdata>,<TOPSPIN 3.2>,
$$       <wrpa from 1 660 "Feb27-2020" "/opt/topspin/data/nmr/nmr"
$$        data hash MD5: 32K
$$        53 FA B6 5F F0 DE 12 62 E8 22 1E 67 25 25 01 F0>)
$$ ##END=
$$ 
$$ $$ hash MD5
$$ $$ E2 C7 36 2F FF F8 5C 85 4A 20 1B 61 6F 73 AA 8C
$$ 
##$PARAMETER FILE=	(datafile, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pdata/1/1r, 0)
$$ 
##$PARAMETER FILE=	(format.temp, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/format.temp, 0)
$$ EDIT_PAR COMMAND FILE
$$ 
$$ DI_MODE         LONG
$$ 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	" "
$$ END
$$ NAME		TD0
$$ 		TEXT	" "
$$ END
$$ HEADER		"======== CHANNEL f1 ========"
$$ NAME		SFO1
$$ 		FORMAT	"%14.7f MHz"
$$ 		TEXT	" "
$$ END
$$ 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		PLW1
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0 41.6
$$ 		REL	"PLW1=PLW[1]"
$$ 		INV_REL	"PLW[1]=PLW1"
$$ 		UNIT	"W"
$$ 		FORMAT	"%14.8f W"
$$ 		TEXT	"power PLW1 "
$$ END
$$ 
##$PARAMETER FILE=	(intrng, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pdata/1/intrng, 0)
$$ P 0
$$ 7.419938   6.599636
$$ 5.754884   4.978592
$$ 3.330654   0.636249
$$ 
##$PARAMETER FILE=	(parm.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pdata/1/parm.txt, 0)
$$ 
$$ Current Data Parameters
$$ NAME         Feb27-2020              
$$ EXPNO               660              
$$ PROCNO                1              
$$ 
$$ F2 - Acquisition Parameters
$$ Date_          20200227              
$$ Time              18.10              
$$ INSTRUM           spect              
$$ PROBHD   5 mm PABBO BB/              
$$ PULPROG            zg30              
$$ TD                32768              
$$ SOLVENT           CDCl3              
$$ NS                   16              
$$ DS                    4              
$$ SWH            8012.820 Hz           
$$ FIDRES         0.244532 Hz           
$$ AQ            2.0447233 sec          
$$ RG                42.71              
$$ DW               62.400 usec         
$$ DE                 6.50 usec         
$$ TE                297.0 K            
$$ D1           1.00000000 sec          
$$ TD0                   1              
$$ 
$$ ======== CHANNEL f1 ========
$$ SFO1        400.0524003 MHz          
$$ NUC1                 1H              
$$ P1                 9.75 usec         
$$ PLW1        17.00000000 W            
$$ 
$$ F2 - Processing parameters
$$ SI                32768              
$$ SF          400.0500000 MHz          
$$ WDW                  EM              
$$ SSB      0              
$$ LB                 0.30 Hz           
$$ GB       0              
$$ PC                 1.00              
$$ 
##$PARAMETER FILE=	(peak.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pdata/1/peak.txt, 0)
$$ DU=/opt/topspin/data/nmr/nmr, USER=nmrsu, NAME=Feb27-2020, EXPNO=660, PROCNO=1
$$ F1=16.015ppm, F2=-4.015ppm, MI=0.40cm, MAXI=10000.00cm, PC=1.000
$$            #     ADDRESS            FREQUENCY         INTENSITY
$$                            [Hz]        [PPM]
$$      1     14282.9     2913.964       7.2840         2.35
$$      2     14376.1     2891.161       7.2270         1.65
$$      3     14408.5     2883.240       7.2072         2.04
$$      4     14661.0     2821.513       7.0529         0.90
$$      5     14664.4     2820.673       7.0508         0.91
$$      6     14665.5     2820.393       7.0501         0.92
$$      7     14693.0     2813.672       7.0333         0.72
$$      8     14696.3     2812.872       7.0313         0.74
$$      9     14697.8     2812.512       7.0304         0.74
$$     10     15038.9     2729.101       6.8219         1.62
$$     11     15043.0     2728.101       6.8194         1.59
$$     12     17290.3     2178.552       5.4457         0.43
$$     13     17296.0     2177.152       5.4422         0.59
$$     14     17305.2     2174.912       5.4366         0.54
$$     15     17311.3     2173.432       5.4329         0.83
$$     16     17316.3     2172.191       5.4298         0.59
$$     17     17328.4     2169.231       5.4224         0.49
$$     18     17334.3     2167.791       5.4188         0.97
$$     19     17339.6     2166.511       5.4156         1.58
$$     20     17347.9     2164.471       5.4105         1.24
$$     21     17355.6     2162.590       5.4058         1.50
$$     22     17361.5     2161.150       5.4022         1.66
$$     23     17370.5     2158.950       5.3967         2.82
$$     24     17381.0     2156.390       5.3903         1.57
$$     25     17385.4     2155.309       5.3876         1.34
$$     26     17392.9     2153.469       5.3830         1.38
$$     27     17404.0     2150.749       5.3762         0.79
$$     28     17408.3     2149.709       5.3736         0.81
$$     29     17426.4     2145.268       5.3625         0.70
$$     30     17431.7     2143.988       5.3593         0.85
$$     31     17437.1     2142.668       5.3560         0.61
$$     32     17452.9     2138.787       5.3463         0.41
$$     33     21276.1     1203.910       3.0094         0.68
$$     34     21304.4     1196.990       2.9921         0.92
$$     35     21332.7     1190.069       2.9748         0.70
$$     36     21524.2     1143.223       2.8577         1.35
$$     37     21548.0     1137.422       2.8432         2.34
$$     38     21572.3     1131.461       2.8283         1.51
$$     39     21604.4     1123.620       2.8087         0.47
$$     40     21917.4     1047.091       2.6174         1.92
$$     41     21948.0     1039.610       2.5987         3.20
$$     42     21979.0     1032.009       2.5797         2.13
$$     43     22373.8      935.477       2.3384         9.73
$$     44     22717.9      851.346       2.1281         1.00
$$     45     22748.8      843.785       2.1092         2.17
$$     46     22776.6      836.985       2.0922         2.13
$$     47     22805.9      829.824       2.0743         0.93
$$     48     23220.1      728.531       1.8211         0.84
$$     49     23250.0      721.210       1.8028         1.26
$$     50     23281.1      713.609       1.7838         0.97
$$     51     23311.9      706.088       1.7650         0.42
$$     52     23623.9      629.799       1.5743         0.87
$$     53     23782.4      591.034       1.4774         0.47
$$     54     23790.2      589.114       1.4726         0.49
$$     55     23807.4      584.913       1.4621         0.76
$$     56     23820.8      581.633       1.4539         0.73
$$     57     23841.9      576.472       1.4410         0.82
$$     58     23852.2      573.952       1.4347         0.78
$$     59     23869.3      569.791       1.4243         1.06
$$     60     23898.5      562.630       1.4064         1.74
$$     61     23903.6      561.390       1.4033         1.72
$$     62     23930.3      554.869       1.3870         3.15
$$     63     23941.6      552.109       1.3801         2.70
$$     64     23983.1      541.948       1.3547         0.55
$$     65     23999.8      537.867       1.3445         0.49
$$     66     24007.8      535.907       1.3396         0.62
$$     67     24010.1      535.347       1.3382         0.62
$$     68     24019.8      532.987       1.3323         0.85
$$     69     24031.7      530.066       1.3250         0.52
$$     70     24036.1      528.986       1.3223         0.48
$$     71     24114.0      509.944       1.2747         0.49
$$     72     24142.3      503.023       1.2574         0.48
$$     73     24197.4      489.541       1.2237        15.00
$$     74     24225.7      482.620       1.2064        14.77
$$     75     24522.0      410.171       1.0253         3.17
$$     76     24552.8      402.650       1.0065         6.21
$$     77     24583.7      395.089       0.9876         2.96
$$     78     24666.0      374.967       0.9373         0.40
$$     79     24694.0      368.126       0.9202         1.15
$$     80     24722.4      361.165       0.9028         0.45
$$ 
##$PARAMETER FILE=	(procs, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pdata/1/procs, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 1	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2020-02-27 19:02:32.203 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin/data/ug1/nmr/Feb27-2020/660/pdata/1/procs
$$ $$ process /opt/topspin3.2/prog/mod/dirdata
$$ ##$ABSF1= 16.01477
$$ ##$ABSF2= -4.014776
$$ ##$ABSG= 5
$$ ##$ABSL= 3
$$ ##$ALPHA= 0
$$ ##$AQORDER= 0
$$ ##$ASSFAC= 0
$$ ##$ASSFACI= 0
$$ ##$ASSFACX= 0
$$ ##$ASSWID= 0
$$ ##$AUNMP= <proc_1dIC3>
$$ ##$AXLEFT= 0
$$ ##$AXNAME= <>
$$ ##$AXNUC= <1H>
$$ ##$AXRIGHT= 0
$$ ##$AXTYPE= 0
$$ ##$AXUNIT= <>
$$ ##$AZFE= 0.1
$$ ##$AZFW= 0.1
$$ ##$BCFW= 0
$$ ##$BC_mod= 0
$$ ##$BYTORDP= 0
$$ ##$COROFFS= 0
$$ ##$CY= 15
$$ ##$DATMOD= 1
$$ ##$DC= 0
$$ ##$DFILT= <>
$$ ##$DTYPP= 0
$$ ##$ERETIC= no
$$ ##$F1P= 10
$$ ##$F2P= -1
$$ ##$FCOR= 0.5
$$ ##$FTSIZE= 32768
$$ ##$FT_mod= 6
$$ ##$GAMMA= 0
$$ ##$GB= 0
$$ ##$INTBC= 1
$$ ##$INTSCL= 1
$$ ##$ISEN= 128
$$ ##$LB= 0.3
$$ ##$LEV0= 0
$$ ##$LPBIN= 0
$$ ##$MAXI= 10000
$$ ##$MC2= 0
$$ ##$MEAN= 0
$$ ##$ME_mod= 0
$$ ##$MI= 0.4
$$ ##$MddCEXP= no
$$ ##$MddCT_SP= no
$$ ##$MddF180= no
$$ ##$MddLAMBDA= 0
$$ ##$MddMEMORY= 0
$$ ##$MddMERGE= 0
$$ ##$MddNCOMP= 0
$$ ##$MddNITER= 0
$$ ##$MddNOISE= 0
$$ ##$MddPHASE= 0
$$ ##$MddSEED= 0
$$ ##$MddSRSIZE= 0
$$ ##$Mdd_CsALG= 0
$$ ##$Mdd_CsLAMBDA= 0
$$ ##$Mdd_CsNITER= 0
$$ ##$Mdd_CsNORM= 0
$$ ##$Mdd_CsZF= 0
$$ ##$Mdd_mod= 0
$$ ##$NCOEF= 0
$$ ##$NC_proc= -5
$$ ##$NLEV= 6
$$ ##$NOISF1= 0
$$ ##$NOISF2= 0
$$ ##$NSP= 0
$$ ##$NTH_PI= 0
$$ ##$NZP= 0
$$ ##$OFFSET= 16.01477
$$ ##$PC= 1
$$ ##$PHC0= -52.71192
$$ ##$PHC1= -23.25442
$$ ##$PH_mod= 1
$$ ##$PKNL= yes
$$ ##$PPARMOD= 0
$$ ##$PPDIAG= 0
$$ ##$PPIPTYP= 0
$$ ##$PPMPNUM= 2147483647
$$ ##$PPRESOL= 1
$$ ##$PSCAL= 4
$$ ##$PSIGN= 0
$$ ##$PYNMP= <proc.py>
$$ ##$REVERSE= no
$$ ##$SF= 400.05
$$ ##$SI= 32768
$$ ##$SIGF1= 0
$$ ##$SIGF2= 0
$$ ##$SINO= 0
$$ ##$SIOLD= 32768
$$ ##$SPECTYP= <>
$$ ##$SREGLST= <1H.CDCl3>
$$ ##$SSB= 0
$$ ##$STSI= 32768
$$ ##$STSR= 0
$$ ##$SW_p= 8012.8205128205
$$ ##$SYMM= 0
$$ ##$S_DEV= 0
$$ ##$TDeff= 32768
$$ ##$TDoff= 0
$$ ##$TI= <1H
$$ 
$$ >
$$ ##$TILT= no
$$ ##$TM1= 0
$$ ##$TM2= 0
$$ ##$TOPLEV= 0
$$ ##$USERP1= <>
$$ ##$USERP2= <>
$$ ##$USERP3= <>
$$ ##$USERP4= <>
$$ ##$USERP5= <>
$$ ##$WDW= 1
$$ ##$XDIM= 0
$$ ##$YMAX_p= 434862299
$$ ##$YMIN_p= -50388
$$ ##END=
$$ 
##$PARAMETER FILE=	(pulseprogram, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pulseprogram, 0)
$$ # 1 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ ;zg30
$$ ;avance-version (12/01/11)
$$ ;1D sequence
$$ ;using 30 degree flip angle
$$ ;
$$ ;$CLASS=HighRes
$$ ;$DIM=1D
$$ ;$TYPE=
$$ ;$SUBTYPE=
$$ ;$COMMENT=
$$ ;$RECOMMEND=y
$$ 
$$ 
$$ # 1 "/opt/topspin3.2/exp/stan/nmr/lists/pp/Avance.incl" 1
$$ ;Avance3.incl
$$ ;   for AV III
$$ ;
$$ ;avance-version (07/12/14)
$$ ;
$$ ;$CLASS=HighRes Incl
$$ ;$COMMENT=
$$ # 165 "/opt/topspin3.2/exp/stan/nmr/lists/pp/Avance.incl"
$$ ;$Id: Avance3.incl,v 1.9.8.1 2012/01/31 17:56:17 ber Exp $
$$ # 14 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30" 2
$$ 
$$ 
$$ # 17 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ "acqt0=-p1*0.66/3.1416"
$$ 
$$ 
$$ # 1 "mc_line 20 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. def. part of mc cmd. before ze"
$$ define delay MCWRK
$$ define delay MCREST
$$ "MCREST = 30m - 30m"
$$ "MCWRK = 0.333333*30m"
$$ 
$$     dccorr
$$ # 20 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ 1 ze
$$ # 1 "mc_line 20 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. def. of mc cmd. after ze"
$$ # 21 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ # 1 "mc_line 21 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. start label for mc cmd."
$$ 2 MCWRK  * 2
$$ LBLF0, MCWRK
$$   MCREST
$$ # 22 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$   d1
$$   p1*0.33 ph1
$$   go=2 ph31
$$ # 1 "mc_line 25 file /opt/topspin3.2/exp/stan/nmr/lists/pp/zg30 exp. mc cmd. in line"
$$   MCWRK wr #0
$$   MCWRK zd
$$   lo to LBLF0 times td0
$$ 
$$   MCWRK
$$ # 26 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ exit
$$ # 29 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ ph1=0 2 2 0 1 3 3 1
$$ ph31=0 2 2 0 1 3 3 1
$$ 
$$ 
$$ ;pl1 : f1 channel - power level for pulse (default)
$$ ;p1 : f1 channel -  90 degree high power pulse
$$ ;d1 : relaxation delay; 1-5 * T1
$$ ;ns: 1 * n, total number of scans: NS * TD0
$$ # 40 "/opt/topspin3.2/exp/stan/nmr/lists/pp/zg30"
$$ ;$Id: zg30,v 1.11.6.1 2012/01/31 17:56:41 ber Exp $
$$ 
##$PARAMETER FILE=	(title, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/pdata/1/title, 0)
$$ KC2
$$ 
##$PARAMETER FILE=	(uxnmr.par, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Feb27-2020/660/uxnmr.par, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 36	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2013-12-19 14:46:10.943 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin3.2/conf/instr/spect/uxnmr.par
$$ $$ process /opt/topspin3.2/prog/mod/confwiring
$$ ##$ACB= 0
$$ ##$ACBTAT= (0..23)
$$ 0 66 66 50 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTBA= (0..23)
$$ 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTBLK= (0..23)
$$ 0 1 1 40 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTCTL= (0..23)
$$ 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTDI= (0..23)
$$ 0 102 102 -1779670252 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTDM= (0..23)
$$ 0 10 10 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTFHI= (0..23)
$$ 0 400 400 62 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTFL= (0..23)
$$ 0 73 74 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTFLO= (0..23)
$$ 0 9 9 60 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTINP= (0..23)
$$ 0 1 2 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTOUT= (0..23)
$$ 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTPO= (0..23)
$$ 0 150000 60000 5000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTPW= (0..23)
$$ 0 10 10 1000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTSB= (0..23)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTSDT= (0..23)
$$ 0 -1 -1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$ACBTY= <no>
$$ ##$AMPDFLT= no
$$ ##$AQSBDCH= (0..95)
$$ 0 0 0 0 0 0 0 0 0 0 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSBDHW= (0..95)
$$ 5 1 0 0 0 0 0 0 0 0 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSBDID= (0..95)
$$ 82 88 83 83 65 86 86 86 66 66 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255
$$ ##$AQSBDNO= (0..95)
$$ 1 1 1 2 1 1 2 3 1 1 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSBDSL= (0..95)
$$ 2 3 4 4 8 12 14 15 255 1 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255
$$ ##$AQSBDTY= (0..95)
$$ 67 214 50 50 5 148 147 145 217 7 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255
$$ ##$AQSBUAD= (0..95)
$$ 16 52 36 37 54 160 161 162 32 32 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255
$$ ##$AQSECL= (0..95)
$$ 0 2 2 2 9 2 0 1 1 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSECLS= (0..95)
$$ 2 0 2 2 2 0 1 2 0 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255 255
$$ 255
$$ ##$AQSETH1= <no>
$$ ##$AQSETH2= <no>
$$ ##$AQSSPLT= no
$$ ##$ATT19F= (0..1)
$$ 0 0
$$ ##$ATT1H= (0..1)
$$ 0 0
$$ ##$ATT3H= (0..1)
$$ 0 0
$$ ##$ATTX= (0..1)
$$ 0 0
$$ ##$ATTY= (0..1)
$$ 0 0
$$ ##$ATTZ= (0..1)
$$ 0 0
$$ ##$BACSAIR= yes
$$ ##$BACSCAP= 60
$$ ##$BACSDEL= 5
$$ ##$BACSFCM= no
$$ ##$BACSOPT= <>
$$ ##$BACSTY= <tty01>
$$ ##$BARPTY= <no>
$$ ##$BFREQ= 400.05
$$ ##$BGAETH1= <no>
$$ ##$BGAETH2= <no>
$$ ##$BGAETH3= <no>
$$ ##$BGAETH4= <no>
$$ ##$BGAETH5= <no>
$$ ##$BGAETH6= <no>
$$ ##$BGAETH7= <no>
$$ ##$BGAETH8= <no>
$$ ##$BIRDS= yes
$$ ##$BMPC= 0
$$ ##$BMPCTY= <no>
$$ ##$BPSUTY= <no>
$$ ##$BSMS= 2
$$ ##$BSMS19FLock= no
$$ ##$BSMSETH= <149.236.99.20>
$$ ##$BSMSTY= <no>
$$ ##$BgaChMap= (0..7)
$$ 15 15 15 15 15 15 15 15
$$ ##$BgaChShimMap= (0..7)
$$ 0 0 0 0 0 0 0 0
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$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ -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 -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 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
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$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ ##$RG_tab8= (0..255)
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$$ ##$XFAC= 2
$$ ##END=
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##$OBSERVED INTEGRALS=	(X Y Z)
(7.1847762960007921507, 7.2495201627137859646, 0.97332671917485391599)
(7.0081044424572453977, 7.0775348658484027453, 0.95558324390020743522)
(6.7960342633094477094, 6.8452399205803144966, 0.91059018152710324845)
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(2.9177804404485274681, 3.0663554829411290292, 1.02555144690470601)
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(1.3106273284792906431, 1.5004708310822132411, 9.8262020613424922999)
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##END=	
##TITLE=	Feb27-2020.660.1.1r
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	3
##DATA TYPE=	NMR PEAK TABLE
##DATA CLASS=	PEAK TABLE
##CROSS REFERENCE=	NMR SPECTRUM: BLOCK_ID=2                                     
##.OBSERVE FREQUENCY=	400.05240029848198446
##.OBSERVE NUCLEUS=	^1H
##NPOINTS=	271
##FIRSTX=	0.10124025721038068526
##LASTX=	7.5430419490195736998
##XFACTOR=	1
##YFACTOR=	1
##FIRSTY=	4131.2325294675774785
##XUNITS=	PPM
##YUNITS=	ARBITRARY UNITS
##PEAK TABLE=	(XYW..XYW)
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5.4191445610018460499,525526.33448027190752,0.0029181140551685028767
5.4231744169291777879,202651.18052253394853,0.0051994483054138979083
5.4293022396777974592,277707.2290150122717,0.0045821087102873216818
5.4328479719039055595,536454.16155913064722,0.0034989819691222281799
5.436751699021708184,294331.86606097052572,0.0048381121169504583135
5.4422630442946857698,411175.50032931781607,0.0034460415778560606927
5.4458857090370980103,259133.53422311588656,0.0029128881221588812968
5.449790695279699726,39450.947539419794339,0.0021566938784262795238
5.4562736112155425516,83224.51185666382662,0.005481457128473817865
5.4598610193371257537,238731.25797989720013,0.0030022834874177122162
5.4635748120304317155,110624.20554351841565,0.0022728158738692374671
5.5039763464949551519,2454.6324825454380516,0.0015942361863509396311
5.5272327309493247682,2649.1772675564557176,0.0020978907167820445671
5.5418315087229066407,2664.5578618983868182,0.001768947608304770585
5.5455153614418168928,2231.8412282226031493,0.0021456177547693588287
5.5868116509796994507,2159.4609795645192207,0.0017460922126630517518
5.601410831292715109,3532.3468102357469434,0.0026661958252544365119
5.6051661303990814034,2904.037127737154151,0.0018454725685955050089
5.6280234016166099664,3123.4086355649874349,0.0021964551015455362377
5.7129381443952498287,2354.5882878140646426,0.0062525807607172025418
5.9642405915979992415,2792.0427285261334873,0.0073457854653373316767
5.9915191648421766146,3674.568929221110011,0.022248397615406978467
6.1980708483992863478,1897.2592909807824526,0.009128687722857397116
6.2374791478326079286,2280.1325590409746837,0.0042683868240904589489
6.3560659037823086237,2732.4914631279275454,0.01986662013785889247
6.5846816085512980266,23415.241812334403221,0.0048902678755870319233
6.5889605121165049084,28995.710829211311648,0.0060297407202468582613
6.6207466528865213107,8202.2383602680583863,0.0092032373201405889146
6.7415913915603189466,16532.929681040157448,0.0087334614641532970492
6.7602973338332610354,18657.579572218208341,0.0078994820336363777424
6.7639239283530114832,6297.2782103269082654,0.0035188974937965691696
6.8185321377416920896,1336935.8792954527307,0.0033779491421459541776
6.8227420461480701164,1214518.0822827257216,0.0050634822896549235363
6.9244734309772066894,2411.5161131172822024,0.0021007621274926392176
6.9676110642078574742,2266.3520232121472873,0.0023208926031037390054
6.9832309120523410328,3333.7028379009666423,0.0079752315993457442017
7.0046254298783168224,6043.1003570859074898,0.0043658290893131678628
7.019886706516349939,18006.31005283869672,0.0021831140638750965062
7.0306023168894897779,591008.78068594424985,0.0061028075533614703843
7.0350202090207609729,467678.88883063493995,0.0040993196128012356766
7.0503894252217387262,763432.56059805222321,0.006036915474245849525
7.0550369914161583651,545927.18373309529852,0.0041719148944170366192
7.0797295864046905223,1887.3542426273320416,0.0036943924984146757524
7.0925984219095425942,37611.674531040160218,0.0039088005890924376259
7.1120791394684035325,33667.44471976141358,0.0038596669721852115524
7.1437996372458032468,3366.8915084647805998,0.0037409185095792570237
7.1953450119652382355,14108.769602649483204,0.0021831140638750965062
7.2072741704330365309,1866655.9064746138174,0.003589737857770289222
7.2270222882815415844,1523177.3132060226053,0.0036629958385113081838
7.2393434355021302196,11549.849904457374578,0.0043208409617898077895
7.2839632131835969631,2183933.6561093162745,0.0016616782037942694206
7.2967961719879577132,3964.1761002453531546,0.0024855023026175765075
7.2993807583264764816,1823.8387077088664228,0.015095971778008622499
7.3602505898002101858,7858.0360111210184186,0.002489366012465137664
7.4006269768091268446,9872.9435669706763292,0.003943235999418876446
7.4202903476401358418,8797.3710633816936024,0.0038880364245446655778
7.5430419490195736998,11256.881634442983341,0.0016937408884152378632
##$MNOVA/PEAK_DATA_TABLE=	(T,F,A,ST,SP,APT,APC)
$$ Complementary to PEAK TABLE
$$ T: Type
$$ F: Flags
$$ A: Annotation
$$ ST: Shape Type
$$ SP: Shape Parameter
$$ APT: Attached Peaks Type
$$ APC: Attached Peaks Count
Impurity,Artifact|Weak,,1,0.31810240435053310781,0,0
Artifact,Artifact|Weak,,1,-0.80000000000000004441,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.48915779104996465199,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.2696223722333552786,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.3949529396509519064,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.39449167589222228214,0,0
Compound,Artifact|Weak,,1,0.15617711324336575052,0,0
Compound,Artifact|Weak,,1,0.50107578711764144686,0,0
Compound,None,,1,-0.89432981717666848454,0,0
Compound,None,,1,-0.40938924875692422889,0,0
Compound,None,,1,0.005145620029974571491,0,0
Compound,None,,1,-0.30696363703846413218,0,0
Compound,None,,1,1.1160670260025820077,0,0
Compound,Artifact|Weak,,1,0.20615830758141023837,0,0
Compound,None,,1,1.2781797288973364424,0,0
Compound,None,,1,0.91699518126789214545,0,0
Compound,Artifact|Weak,,1,-0.020289618944612008988,0,0
Artifact,Artifact|Weak,,1,-0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,0.43407789302308513735,0,0
Artifact,Artifact|Weak,,1,0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,1.1999999999999999556,0,0
Compound,None,,1,0.75106472457934181364,0,0
Artifact,Artifact|Weak,,1,-0.69609414300319905067,0,0
Artifact,Artifact|Weak,,1,-0.23957971400068908685,0,0
Compound,None,,1,1.0195500297478514717,0,0
Artifact,Artifact|Weak,,1,0.38649161084447219983,0,0
Compound,None,,1,0.91191963534643427636,0,0
Artifact,Artifact|Weak,,1,0.40742070813218300707,0,0
Artifact,Artifact|Weak,,1,1.2294902790004760273,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.40279020797528897191,0,0
Artifact,Artifact|Weak,,1,0.92628677991636187983,0,0
Impurity,None,,1,0.19539719417839218618,0,0
Impurity,Artifact|Weak,,1,-0.47301938329244513914,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.44211483438602239282,0,0
Impurity,Artifact|Weak,,1,0.40215629046590828377,0,0
Impurity,Artifact|Weak,,1,-0.35329125419473900171,0,0
Artifact,Artifact|Weak,,1,1.7186249281296357427,0,0
Impurity,Artifact|Weak,,1,-0.15279175559669858075,0,0
Impurity,Artifact|Weak,,1,-0.8679217236509055855,0,0
Artifact,Artifact|Weak,,1,0.72249273301341654374,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0,0,0
Artifact,Artifact|Weak,,1,-0.60000000000000008882,0,0
Artifact,Artifact|Weak,,1,-0.27348188971092779465,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.06554878531592556179,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,0.3254011632093595785,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.0055816879345793602,0,0
Artifact,Artifact|Weak,,1,1.5661577286006893583,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,1.8333123180301169608,0,0
Compound,None,,1,0.81278140504587936821,0,0
Compound,None,,1,0.36045425896319843728,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.34961371893514908704,0,0
Artifact,Artifact|Weak,,1,0.08554200008022327939,0,0
Artifact,Artifact|Weak,,1,-0.2480921066344899395,0,0
Compound,None,,1,0.32656513075417542558,0,0
Artifact,Artifact|Weak,,1,-0.85523822340055621893,0,0
Compound,None,,1,-0.036742174971115745818,0,0
Compound,None,,1,0.38183867668370935489,0,0
Compound,None,,1,-0.63458785010983376207,0,0
Compound,Artifact|Weak,,1,-1,0,0
Compound,None,,1,0.28967128033653055663,0,0
Compound,None,,1,-0.35740378953924745176,0,0
Compound,None,,1,-0.60580079503229422588,0,0
Compound,None,,1,0.40000000000000007772,0,0
Compound,None,,1,0.01497557206318227141,0,0
Compound,None,,1,0.63395348415189567426,0,0
Compound,None,,1,-0.25959192988261681201,0,0
Compound,Artifact|Weak,,1,1.4468037636117712097,0,0
Compound,None,,1,0.030830369883946207726,0,0
Impurity,Artifact|Weak,,1,0.64913721642734678596,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.062671724145255666705,0,0
Compound,Artifact|Weak,,1,0.38460353808204222892,0,0
Compound,None,,1,-0.28643341951689382796,0,0
Compound,None,,1,-0.25608718240710431902,0,0
Compound,None,,1,-0.55130159008545898125,0,0
Compound,None,,1,0.2259459871471993786,0,0
Compound,None,,1,0.3425823243254708661,0,0
Compound,None,,1,-0.5465906265628380778,0,0
Compound,None,,1,-0.055301645906622037829,0,0
Compound,None,,1,-0.40217897039101707657,0,0
Compound,None,,1,0.41123204360954818126,0,0
Compound,None,,1,1.7361183804218303095,0,0
Impurity,Artifact|Weak,,1,-0.20072143367924893953,0,0
Solvent,2ry Solvent,,1,0.99368313188005230607,0,0
Solvent,2ry Solvent,,1,0.53540817175900490277,0,0
Compound,None,,1,-0.31361736927202338299,0,0
Compound,Artifact|Weak,,1,1.999999999999999778,0,0
Compound,None,,1,0.2000000000000000111,0,0
Artifact,Artifact|Weak,,1,1.1999999999999999556,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,None,,1,0.23887006501744934006,0,0
Artifact,Artifact|Weak,,1,0.010123993528979503831,0,0
Impurity,Artifact|Weak,,1,-0.85944641846761848925,0,0
Impurity,Artifact|Weak,,1,0.073480639628260957519,0,0
Compound,None,,1,0.28905515254819674764,0,0
Compound,None,,1,0.38868844024620713418,0,0
Compound,None,,1,-0.10904073903396392653,0,0
Compound,None,,1,-0.051945382563573033741,0,0
Compound,None,,1,0.93093758906281931509,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-1,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.21994181308727994706,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.55671601752883703718,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Compound,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,-0.60000000000000008882,0,0
Compound,None,,1,1.3028497334135300534,0,0
Compound,None,,1,0.56142361921087813315,0,0
Compound,None,,1,1.0171873382306448885,0,0
Compound,None,,1,-0.86381986498885465764,0,0
Compound,None,,1,-0.065690332792495365055,0,0
Compound,None,,1,-0.66567357425639228641,0,0
Compound,None,,1,0.090267175264598126239,0,0
Compound,None,,1,0.58470968049411975453,0,0
Compound,None,,1,1.0949635309767271618,0,0
Compound,None,,1,0.56528269415923992902,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.26801156992571412152,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.36864323583783281668,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.49285114125550372188,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.09194829869286730295,0,0
Impurity,None,,1,0.78521984481281492663,0,0
Artifact,Artifact|Weak,,1,-0.18569180470530111116,0,0
Artifact,Artifact|Weak,,1,-0.42456677697661232562,0,0
Compound,None,,1,1.1999999999999999556,0,0
Artifact,Artifact|Weak,,1,1.2627507960532684539,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.013316514678873786828,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.024241479720130160169,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.082918199576924589422,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.83188154609863229627,0,0
Artifact,Artifact|Weak,,1,1.2522593485251056755,0,0
Compound,None,,1,0.29611995356308834504,0,0
Compound,None,,1,0.098535409095496240273,0,0
Compound,None,,1,0.017119424413477163371,0,0
Artifact,Artifact|Weak,,1,0,0,0
Artifact,Artifact|Weak,,1,-0.12042229591417302759,0,0
Impurity,Artifact|Weak,,1,0.11397136833358811892,0,0
Artifact,Artifact|Weak,,1,-0.20639532774545149563,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.47741072398117756492,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.10409775207285300314,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.1642271795977731097,0,0
Artifact,Artifact|Weak,,1,1.4746671077496480429,0,0
Compound,None,,1,0.75435465270800206028,0,0
Compound,None,,1,0.80097013027296126708,0,0
Compound,None,,1,0.60340042604069688004,0,0
Compound,None,,1,-0.030033172402543079071,0,0
Compound,None,,1,-0.18595497775259073325,0,0
Compound,None,,1,0.64693697457030019393,0,0
Impurity,Artifact|Weak,,1,1.9929530276196045779,0,0
Compound,Artifact|Weak,,1,-0.2000000000000000111,0,0
Compound,None,,1,0.4256503125547090316,0,0
Compound,None,,1,0.5212190779146157471,0,0
Compound,None,,1,0.16312948421798595389,0,0
Compound,None,,1,0.55791011072507745716,0,0
Compound,None,,1,0.60000000000000008882,0,0
Compound,Artifact|Weak,,1,0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,-0.075862772296812250317,0,0
Impurity,Artifact|Weak,,1,-0.0020325954067382939749,0,0
Impurity,Artifact|Weak,,1,-0.23301185014764524972,0,0
Impurity,Artifact|Weak,,1,0.30337765250395459793,0,0
Impurity,Artifact|Weak,,1,0.80000000000000004441,0,0
Impurity,Artifact|Weak,,1,0,0,0
Impurity,Artifact|Weak,,1,0.61459110256682614182,0,0
Impurity,Artifact|Weak,,1,0.7205547091332158427,0,0
Impurity,Artifact|Weak,,1,0.80000000000000004441,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Impurity,Artifact|Weak,,1,0.94512985102197522025,0,0
Impurity,Artifact|Weak,,1,1.2712371766565437881,0,0
Impurity,Artifact|Weak,,1,-0.25341479032257185899,0,0
Impurity,None,,1,0.71062207317107206617,0,0
Impurity,Artifact|Weak,,1,1.1999999999999999556,0,0
Impurity,Artifact|Weak,,1,0.61637456559860581695,0,0
Impurity,Artifact|Weak,,1,0.40000000000000007772,0,0
Impurity,Artifact|Weak,,1,0.99178388380323556639,0,0
Impurity,Artifact|Weak,,1,-0.10638214504997656196,0,0
Impurity,Artifact|Weak,,1,0.23516502466601091337,0,0
Impurity,Artifact|Weak,,1,0.60000000000000008882,0,0
Impurity,Artifact|Weak,,1,-0.80000000000000004441,0,0
Impurity,Artifact|Weak,,1,0.91840010045724396193,0,0
Impurity,Artifact|Weak,,1,0.67630330637635327484,0,0
Impurity,Artifact|Weak,,1,0.16065353211977392855,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.21170190087121190659,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.1999999999999999556,0,0
Impurity,Artifact|Weak,,1,1.8303712581738493803,0,0
Artifact,Artifact|Weak,,1,1.7999999999999998224,0,0
Compound,Artifact|Weak,,1,0.54404254532290396984,0,0
Compound,None,,1,0.27962077084868852683,0,0
Compound,Artifact|Weak,,1,0.27318212184881929261,0,0
Compound,None,,1,-0.49482683096939261702,0,0
Compound,None,,1,0.74709775072186346279,0,0
Compound,None,,1,-0.40000000000000007772,0,0
Compound,None,,1,-1,0,0
Compound,None,,1,-0.93186900057909194395,0,0
Compound,Artifact|Weak,,1,1.302931275269025857,0,0
Compound,None,,1,1.5384017987847973252,0,0
Compound,None,,1,-0.86300926477180417429,0,0
Compound,None,,1,-0.86761433887637895435,0,0
Compound,None,,1,0.49324874044808736384,0,0
Compound,None,,1,-0.24737006606168671086,0,0
Compound,None,,1,-0.37875566775141400466,0,0
Compound,None,,1,0.13586664683784899221,0,0
Compound,None,,1,0.4905255398571602421,0,0
Compound,None,,1,-0.85046431206148143112,0,0
Compound,None,,1,-0.061659657108393384206,0,0
Compound,None,,1,-1,0,0
Compound,None,,1,0.43259116744952136324,0,0
Compound,None,,1,0.01741916794527240131,0,0
Compound,None,,1,0.27206766148714650599,0,0
Compound,None,,1,1.1704476102638461388,0,0
Compound,None,,1,0.60108894683834224182,0,0
Compound,None,,1,-0.34150779144404158627,0,0
Compound,None,,1,0.1613412139205662732,0,0
Compound,None,,1,-0.12208968513382234544,0,0
Compound,None,,1,-0.92898607066384752962,0,0
Compound,None,,1,-0.068528111372773758969,0,0
Compound,None,,1,0.29438779191887920472,0,0
Compound,None,,1,0.24823192663619358944,0,0
Impurity,Artifact|Weak,,1,1.5603360147291540638,0,0
Compound,None,,1,-0.22334998214481932566,0,0
Compound,None,,1,-0.60000000000000008882,0,0
Compound,None,,1,0.62553503049205494424,0,0
Artifact,Artifact|Weak,,1,1.3456188603425909278,0,0
Artifact,Artifact|Weak,,1,0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,0.72215257783503616906,0,0
Artifact,Artifact|Weak,,1,0,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,1.999999999999999778,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,-0.98276582990704941523,0,0
Impurity,Artifact|Weak,,1,1.5999999999999998668,0,0
Impurity,Artifact|Weak,,1,0.64806904641483142893,0,0
Artifact,Artifact|Weak,,1,1.8299651276865895877,0,0
Impurity,Artifact|Weak,,1,-0.93358777551351179724,0,0
Impurity,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,0.40000000000000007772,0,0
Artifact,Artifact|Weak,,1,-0.66043593942767409022,0,0
Impurity,Artifact|Weak,,1,-0.64866450744065917711,0,0
Impurity,Artifact|Weak,,1,1.5999999999999998668,0,0
Impurity,Artifact|Weak,,1,1.8266192927931756973,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,1.999999999999999778,0,0
Impurity,Artifact|Weak,,1,1.3999999999999999112,0,0
Impurity,Artifact|Weak,,1,1.5999999999999998668,0,0
Compound,None,,1,-0.86122264012583027437,0,0
Compound,None,,1,1.9830980256720922572,0,0
Artifact,Artifact|Weak,,1,1.7643715205192760376,0,0
Artifact,Artifact|Weak,,1,1.999999999999999778,0,0
Artifact,Artifact|Weak,,1,0.8145587419249458172,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.66327101827031764714,0,0
Solvent,Artifact|Impurity|Weak|13C Sat.,,1,-0.44321915596925953729,0,0
Compound,None,,1,1.7972243857518124255,0,0
Compound,None,,1,1.0133747427434727229,0,0
Compound,None,,1,1.5597003392008590428,0,0
Compound,None,,1,0.77295871059592091701,0,0
Artifact,Artifact|Weak,,1,0.51489752070237770898,0,0
Impurity,Artifact|Weak,,1,0.65614239261856710517,0,0
Impurity,Artifact|Weak,,1,0.53104189675652180291,0,0
Artifact,Artifact|Weak,,1,-0.23886287559615110299,0,0
Artifact,Artifact|Weak,,1,-0.40387422296671404709,0,0
Compound,None,,1,1.2438522291754068316,0,0
Compound,None,,1,0.99659628785224219083,0,0
Artifact,Artifact|Weak,,1,1.491529533205276703,0,0
Solvent,None,,1,0.61444518860999264298,0,0
Artifact,Artifact|Weak,,1,-1,0,0
Artifact,Artifact|Weak,,1,-0.90878752683337293838,0,0
Impurity,Artifact|Weak,,1,0.60000000000000008882,0,0
Compound,Artifact|Impurity|Weak|13C Sat.,,1,0.21899121900692078424,0,0
Impurity,Artifact|Weak,,1,0.45800211777287874737,0,0
Solvent,Artifact|Impurity|Weak|13C Sat.,,1,1.3928435038344417762,0,0
##END=	
##END=	
