##TITLE=	Mar13-2020.420.1.1r
CZ002
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##DATA TYPE=	LINK
##BLOCK_ID=	1
##BLOCKS=	2    
##ORIGIN=	Mestrelab Research S.L.
##OWNER=	cz1619
##$MNOVA/LINK_BLOCK_TYPE=	ITEM	$$ 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=	Mar13-2020.420.1.1r
##JCAMP-DX=	6.0	$$ MestReNova 14.1.0-24037
##BLOCK_ID=	2
##DATA TYPE=	NMR SPECTRUM
##DATA CLASS=	XYDATA
##NUMDIM=	1
##ORIGIN=	Bruker BioSpin GmbH
##OWNER=	nmrsu
##.OBSERVE FREQUENCY=	400.05240029848198446
##.OBSERVE NUCLEUS=	^1H
##.SOLVENT NAME=	CDCl3
##.PULSE SEQUENCE=	zg30
##LONGDATE=	2020/03/13 18:53:00.000
##.ACQUISITIONMODE=	SIMULTANEOUS
##$ORIGINAL FORMAT=	Bruker XWIN-NMR
##$MNOVA/SCALES_VERSION=	8
##$PARAMETER FILE=	(acqus, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/acqus, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 11	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2020-03-13 18:53:36.922 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin/data/ug1/nmr/Mar13-2020/420/acqus
$$ $$ process /opt/topspin3.2/prog/mod/shimcntl
$$ ##$ACQT0= -2.04831932773109
$$ ##$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>
$$ ##$AUTOPOS= <25 >
$$ ##$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= 1584125616
$$ ##$DE= 6.5
$$ ##$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= <>
$$ ##$FQ3LIST= <>
$$ ##$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= 25
$$ ##$HPMOD= (0..7)
$$ 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= 121.239852905273
$$ ##$LOCKPOW= -30
$$ ##$LOCKPPM= 7.23999977111816
$$ ##$LOCNUC= <2H>
$$ ##$LOCPHAS= 200.8008
$$ ##$LOCSHFT= yes
$$ ##$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
$$ ##$RG= 27.59
$$ ##$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
$$ ##$TE= 296.9983
$$ ##$TE1= 296.9983
$$ ##$TE2= 0
$$ ##$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
$$ ##$YMAX_a= 3304917
$$ ##$YMIN_a= -4187525
$$ ##$ZGOPTNS= <>
$$ ##$ZL1= 120
$$ ##$ZL2= 120
$$ ##$ZL3= 120
$$ ##$ZL4= 120
$$ ##END=
$$ 
##$PARAMETER FILE=	(audita.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/audita.txt, 0)
$$ ##TITLE= Audit trail, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.01
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ /opt/topspin/data/ug1/nmr/Mar13-2020/420/audita.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)
$$ (   1,<2020-03-13 18:53:36.216 +0000>,<nmrsu>,<nmrpc>,<go>,<TOPSPIN 3.2>,
$$       <created by zg
$$ 	started at 2020-03-13 18:52:33.553 +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
$$        8F 83 35 71 90 2F 88 D9 FB B4 EA A6 07 4D 5C 85>)
$$ (   2,<2020-03-13 18:53:36.937 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: ug1
$$        data hash MD5: 32K
$$        8F 83 35 71 90 2F 88 D9 FB B4 EA A6 07 4D 5C 85>)
$$ (   3,<2020-03-13 18:53:36.947 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: ug1
$$        data hash MD5: 32K
$$        8F 83 35 71 90 2F 88 D9 FB B4 EA A6 07 4D 5C 85>)
$$ ##END=
$$ 
$$ $$ hash MD5
$$ $$ B4 6C C7 BA 94 03 47 B4 4B 6D 9C 02 D5 60 BB D6
$$ 
##$PARAMETER FILE=	(auditp.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/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/Mar13-2020/420/pdata/1/auditp.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, PROCESS, VERSION, WHAT)
$$ (   1,<2020-03-13 18:53:36.216 +0000>,<nmrsu>,<nmrpc>,<go>,<TOPSPIN 3.2>,
$$       <created by zg
$$ 	started at 2020-03-13 18:52:33.553 +0000,
$$ 	POWCHK enabled, PULCHK disabled,
$$        configuration hash MD5:
$$        8A 91 E6 C4 64 AA B7 18 DA B6 E1 A8 9A 5E 4B 87
$$        data hash MD5: 32K
$$        8F 83 35 71 90 2F 88 D9 FB B4 EA A6 07 4D 5C 85>)
$$ (   2,<2020-03-13 18:53:36.937 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: ug1
$$        data hash MD5: 32K
$$        8F 83 35 71 90 2F 88 D9 FB B4 EA A6 07 4D 5C 85>)
$$ (   3,<2020-03-13 18:53:36.947 +0000>,<nmrsu>,<nmrpc>,<audit>,<TOPSPIN 3.2>,
$$       <user comment:
$$        ICON-NMR User ID: ug1
$$        data hash MD5: 32K
$$        8F 83 35 71 90 2F 88 D9 FB B4 EA A6 07 4D 5C 85>)
$$ (   4,<2020-03-13 18:53:37.407 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <Start of raw data processing
$$        ef LB = 0.3 FT_mod = 6 PKNL = 1 SI = 32K 
$$        data hash MD5: 32K
$$        1E C3 0C B3 CA EB AD 13 DE 43 C9 31 9B 9D A1 28>)
$$ (   5,<2020-03-13 18:53:37.446 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <apks 
$$        data hash MD5: 32K
$$        BB 27 6B D4 A3 48 EC C9 87 D4 AF D3 FE 79 37 73>)
$$ (   6,<2020-03-13 18:53:37.455 +0000>,<nmrsu>,<nmrpc>,<proc1d>,<TOPSPIN 3.2>,
$$       <abs ABSG = 5 
$$        data hash MD5: 32K
$$        F1 C0 E9 74 BA 5A 53 42 A6 7C 6F FD 76 B6 93 BA>)
$$ ##END=
$$ 
$$ $$ hash MD5
$$ $$ 71 32 26 49 4D F8 E2 37 DD C1 0D F5 17 25 BD BE
$$ 
##$PARAMETER FILE=	(datafile, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/pdata/1/1r, 0)
$$ 
##$PARAMETER FILE=	(format.temp, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/format.temp, 0)
$$ 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
$$ 
##$PARAMETER FILE=	(intrng, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/pdata/1/intrng, 0)
$$ P 0
$$ 7.450501   6.625309
$$ 6.210879   5.797672
$$ 5.588623   4.830058
$$ 4.205968   3.551316
$$ 3.550705   3.154613
$$ 3.113659   1.036009
$$ 1.035398   0.745663
$$ 
##$PARAMETER FILE=	(parm.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/pdata/1/parm.txt, 0)
$$ 
$$ Current Data Parameters
$$ NAME         Mar13-2020              
$$ EXPNO               420              
$$ PROCNO                1              
$$ 
$$ F2 - Acquisition Parameters
$$ Date_          20200313              
$$ Time              18.53              
$$ 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                27.59              
$$ DW               62.400 usec         
$$ 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              
$$ 
##$PARAMETER FILE=	(peak.txt, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/pdata/1/peak.txt, 0)
$$ DU=/opt/topspin/data/ug1/nmr, USER=nmrsu, NAME=Mar13-2020, EXPNO=420, PROCNO=1
$$ F1=16.015ppm, F2=-4.015ppm, MI=0.40cm, MAXI=10000.00cm, PC=1.000
$$            #     ADDRESS            FREQUENCY         INTENSITY
$$                            [Hz]        [PPM]
$$      1     14283.2     2913.884       7.2838         0.90
$$      2     14350.1     2897.522       7.2429         0.58
$$      3     14357.0     2895.842       7.2387         0.66
$$      4     14361.7     2894.682       7.2358         0.40
$$      5     14380.9     2890.001       7.2241         0.88
$$      6     14384.3     2889.161       7.2220         1.09
$$      7     14387.8     2888.321       7.2199         1.15
$$      8     14390.9     2887.561       7.2180         1.16
$$      9     14399.0     2885.561       7.2130         0.47
$$     10     14402.0     2884.841       7.2112         0.42
$$     11     14414.3     2881.840       7.2037         0.82
$$     12     14421.1     2880.160       7.1995         0.90
$$     13     14425.7     2879.040       7.1967         0.52
$$     14     14580.6     2841.155       7.1020         0.82
$$     15     14587.2     2839.555       7.0980         0.86
$$     16     14592.7     2838.195       7.0946         0.44
$$     17     14600.3     2836.354       7.0900         0.40
$$     18     14612.7     2833.314       7.0824         1.22
$$     19     14619.4     2831.674       7.0783         1.15
$$     20     14624.5     2830.434       7.0752         0.62
$$     21     14632.3     2828.514       7.0704         0.49
$$     22     14718.6     2807.431       7.0177         1.06
$$     23     14723.6     2806.191       7.0146         1.46
$$     24     14734.8     2803.470       7.0078         0.71
$$     25     14748.2     2800.190       6.9996         1.48
$$     26     14753.1     2798.990       6.9966         1.97
$$     27     14769.3     2795.029       6.9867         0.70
$$     28     14778.4     2792.789       6.9811         1.52
$$     29     14784.3     2791.349       6.9775         1.50
$$     30     14809.7     2785.148       6.9620         0.74
$$     31     14815.7     2783.668       6.9583         0.60
$$     32     16378.3     2401.580       6.0032         1.52
$$     33     16405.6     2394.899       5.9865         0.62
$$     34     17746.4     2067.018       5.1669         0.53
$$     35     17754.1     2065.138       5.1622         0.52
$$     36     17767.0     2061.978       5.1543         0.62
$$     37     19885.0     1544.073       3.8597        15.00
$$     38     19901.0     1540.152       3.8499         6.45
$$     39     19918.9     1535.792       3.8390         3.85
$$     40     20697.7     1345.328       3.3629         0.46
$$     41     20722.8     1339.207       3.3476         0.57
$$     42     21704.9     1099.057       2.7473         0.47
$$     43     21735.9     1091.456       2.7283         0.71
$$     44     21768.8     1083.415       2.7082         0.54
$$     45     22483.7      908.594       2.2712         5.10
$$     46     22512.2      901.633       2.2538         7.27
$$     47     22563.1      889.191       2.2227         0.50
$$     48     22908.0      804.861       2.0119         3.00
$$     49     22913.4      803.540       2.0086         2.95
$$     50     23047.7      770.696       1.9265         0.47
$$     51     23342.8      698.527       1.7461         5.32
$$     52     23366.4      692.767       1.7317         1.31
$$     53     23410.0      682.085       1.7050         2.05
$$     54     23449.8      672.364       1.6807         0.82
$$     55     23471.9      666.963       1.6672         6.17
$$     56     23519.0      655.442       1.6384         2.22
$$     57     24070.3      520.625       1.3014         0.46
$$     58     24694.5      368.006       0.9199         0.65
$$ 
##$PARAMETER FILE=	(procs, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/pdata/1/procs, 0)
$$ ##TITLE= Parameter file, TOPSPIN		Version 3.2
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##NPOINTS= 9	$$ modification sequence number
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= nmrsu
$$ $$ 2020-03-13 18:53:37.481 +0000  nmrsu@nmrpc
$$ $$ /opt/topspin/data/ug1/nmr/Mar13-2020/420/pdata/1/procs
$$ $$ process /opt/topspin3.2/prog/mod/peak
$$ ##$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= -4
$$ ##$NLEV= 6
$$ ##$NOISF1= 0
$$ ##$NOISF2= 0
$$ ##$NSP= 0
$$ ##$NTH_PI= 0
$$ ##$NZP= 0
$$ ##$OFFSET= 16.01477
$$ ##$PC= 1
$$ ##$PHC0= -62.08912
$$ ##$PHC1= -21.92639
$$ ##$PH_mod= 1
$$ ##$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= 325325213
$$ ##$YMIN_p= -20089
$$ ##END=
$$ 
##$PARAMETER FILE=	(pulseprogram, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/pulseprogram, 0)
$$ # 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 $
$$ 
##$PARAMETER FILE=	(title, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/pdata/1/title, 0)
$$ CZ002
$$ 
##$PARAMETER FILE=	(uxnmr.par, ASCII, //ch-nmrserv3.ch.ic.ac.uk/Av400D/ug1/nmr/Mar13-2020/420/uxnmr.par, 0)
$$ ##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)
$$ 0 0 0 0 0 0 0 0
$$ ##$Bla01Eth= <no>
$$ ##$Bla01Nam= <BLA2BB 150/60 20-400>
$$ ##$Bla01PN= <W1345049>
$$ ##$Bla01SN= <3279>
$$ ##$Bla02Eth= <149.236.99.20>
$$ ##$Bla02Nam= <BSMS/2 LOCK TRANSCEIVER 400>
$$ ##$Bla02PN= <Z109888>
$$ ##$Bla02SN= <01060>
$$ ##$Bla03Eth= <no>
$$ ##$Bla03Nam= <>
$$ ##$Bla03PN= <>
$$ ##$Bla03SN= <>
$$ ##$Bla04Eth= <no>
$$ ##$Bla04Nam= <>
$$ ##$Bla04PN= <>
$$ ##$Bla04SN= <>
$$ ##$Bla05Eth= <no>
$$ ##$Bla05Nam= <>
$$ ##$Bla05PN= <>
$$ ##$Bla05SN= <>
$$ ##$Bla06Eth= <no>
$$ ##$Bla06Nam= <>
$$ ##$Bla06PN= <>
$$ ##$Bla06SN= <>
$$ ##$Bla07Eth= <no>
$$ ##$Bla07Nam= <>
$$ ##$Bla07PN= <>
$$ ##$Bla07SN= <>
$$ ##$Bla08Eth= <no>
$$ ##$Bla08Nam= <>
$$ ##$Bla08PN= <>
$$ ##$Bla08SN= <>
$$ ##$CFASMOD= (0..7)
$$ 1 1 1 1 1 1 1 1
$$ ##$CFASMUL= (0..7)
$$ 1 1 1 1 1 1 1 1
$$ ##$CNFTXDR= (0..7)
$$ 6 6 0 0 0 0 0 0
$$ ##$COMDIG2= 0
$$ ##$CPDBTY= <no>
$$ ##$CRCOTY= <no>
$$ ##$CSW1= (0..31)
$$ 1 1 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$CSW2= (0..31)
$$ 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$CSWNUM= (0..7)
$$ 2 1 0 0 0 0 0 0
$$ ##$Ctb1Eth= <no>
$$ ##$DATSTAT= no
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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
$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
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$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
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$$ -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
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$$ 130000 130000 130000 130000 130000 130000 130000 130000 130000 130000 130000
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$$ 130000 130000 130000 130000 130000 130000 130000 130000 130000 130000 130000
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$$ 130000 130000 130000 130000 130000 130000 130000 130000 130000 130000 130000
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$$ 524287 524287 524287 524287 524287 524287 524287 524287 524287 524287 524287
$$ 524287 524287 524287 524287 524287 524287 524287 524287 524287 524287 524287
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$$ 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20 1e-20
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$$ 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
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$$ 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
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$$ ##$WBREFLM= (0..15)
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$$ ##$WBREFPH= (0..15)
$$ 77.55 -71.28 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$WBSGU= (0..15)
$$ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
$$ ##$XFAC= 2
$$ ##END=
$$ 
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##$OBSERVED MULTIPLETS=	
(1, 7.1771233036313955012, 7.2470652934768224895, 7.2146374978454668181, 0.89182216888763665708, 1, m, A)
(2, 7.0557231169805456616, 7.1247466373018211172, 7.0903196952144309506, 0.99541996592873838168, 1, dd, B, 1.72949 7.88281)
(3, 6.9546662016714337895, 7.0405861577649444527, 6.9974939306617258694, 2.3607725293912862341, 2, ddd, C, 1.53882 6.95947 7.92773)
(4, 3.8165003102906309707, 3.8821377246541595163, 3.8547313084590104637, 4.1167149985595834494, 4, m, D)
(5, 2.2287866156893980651, 2.2935578345966454172, 2.2589252169532714198, 5.6769296880053161658, 6, m, E)
(6, 1.985961050755607582, 2.0342541156656599455, 2.0101075832106340968, 1.0222163785947768755, 1, d, F, 1.31909)
(7, 1.6432768938568349526, 1.6914234205437290726, 1.6673501572002820126, 2.9361242706326660112, 3, d, G, 1.2605)
##$OBSERVED MULTIPLETS PEAKS=	
(1, 7.2245674190445781093, 556363.42646661808249)
(1, 7.22213557437675302, 760812.8551486270735)
(1, 7.21975591544253259, 796954.65616976306774)
(1, 7.2178820159060226302, 823804.73908719082829)
(1, 7.2038628842392773421, 874715.52211412845645)
(1, 7.1996211780636398814, 932041.9314312353963)
(2, 7.102248762869576737, 912491.24528677389026)
(2, 7.0980951445011628564, 980557.70641228719614)
(2, 7.0827138820741968317, 1330746.2262567714788)
(2, 7.0782209914127900419, 1421575.749114405131)
(3, 7.0180882833327000725, 1112311.1674808377866)
(3, 7.0145774727392566916, 1804943.4476140986662)
(3, 7.0002155168809609975, 1026162.5137367707212)
(3, 6.9969811183001713317, 2143460.6166887818836)
(3, 6.9940846677149659527, 1017028.8820086668711)
(3, 6.990928197659814991, 442979.17746399121825)
(3, 6.9813463795603460937, 1680946.8147508022375)
(3, 6.9771640761036781697, 1829166.9397565736435)
(4, 3.8596398502219151361, 20417511.878047827631)
(4, 3.8498227666961062354, 8442275.4421161878854)
(4, 3.8389981847228753509, 5175509.5163776874542)
(5, 2.271059960164401037, 6453518.1916829608381)
(5, 2.2544312005737716653, 7367287.1984295342118)
(5, 2.2512844901216424454, 5024142.7966817552224)
(6, 2.0117562412334155653, 3749775.8535784613341)
(6, 2.0084589251878521843, 3356916.9540522377938)
(7, 1.6689255461114844703, 5345762.3578951070085)
(7, 1.6657747682890795549, 5677884.3972665388137)
##END=	
##TITLE=	Mar13-2020.420.1.1r
##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=	30
##FIRSTX=	1.6657747682890795549
##LASTX=	7.2839210858972567308
##XFACTOR=	1
##YFACTOR=	1
##FIRSTY=	5677884.3972665388137
##XUNITS=	PPM
##YUNITS=	ARBITRARY UNITS
##PEAK TABLE=	(XYW..XYW)
1.6657747682890795549,5677884.3972665388137,0.0049898657598550395786
1.6689255461114844703,5345762.3578951070085,0.0057446333086267923826
1.7460916001282564824,7099733.8375787036493,0.0080358801119215558101
2.0084589251878521843,3356916.9540522377938,0.0027955716617540167686
2.0117562412334155653,3749775.8535784613341,0.0028472932920359577888
2.2512844901216424454,5024142.7966817552224,0.0045970265471210478361
2.2544312005737716653,7367287.1984295342118,0.0054908291679469679869
2.271059960164401037,6453518.1916829608381,0.0068107512735181945096
3.8389981847228753509,5175509.5163776874542,0.0025256374517507985088
3.8498227666961062354,8442275.4421161878854,0.0021831140638750965062
3.8596398502219151361,20417511.878047827631,0.0023554245538866345339
6.9771640761036781697,1829166.9397565736435,0.0041191366855428930907
6.9813463795603460937,1680946.8147508022375,0.0037706665367249845439
6.990928197659814991,442979.17746399121825,0.0040913370050782429596
6.9940846677149659527,1017028.8820086668711,0.0037923744675503637085
6.9969811183001713317,2143460.6166887818836,0.0052352856277573462176
7.0002155168809609975,1026162.5137367707212,0.0023050883883681066132
7.0145774727392566916,1804943.4476140986662,0.0037182913314881206775
7.0180882833327000725,1112311.1674808377866,0.0030813176376128167955
7.0782209914127900419,1421575.749114405131,0.004677230883923420672
7.0827138820741968317,1330746.2262567714788,0.0031323861281560777883
7.0980951445011628564,980557.70641228719614,0.0038980636067745119341
7.102248762869576737,912491.24528677389026,0.0030978590742413067947
7.1996211780636398814,932041.9314312353963,0.0035088312489678658707
7.2038628842392773421,874715.52211412845645,0.0029416065207056728455
7.2178820159060226302,823804.73908719082829,0.0024107950203134352607
7.21975591544253259,796954.65616976306774,0.004535525386914534586
7.22213557437675302,760812.8551486270735,0.0046100210597029827458
7.2245674190445781093,556363.42646661808249,0.0020825455445218112038
7.2839210858972567308,1197509.7893074552994,0.0016615489070594899063
##$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
Compound,None,,1,0.18544468919578535604,0,0
Compound,None,,1,1.2028273690179918098,0,0
Compound,2ry Solvent,,1,1.4108099799943518704,0,0
Compound,None,,1,0.90773781756166116441,0,0
Compound,None,,1,0.23251052255678661407,0,0
Compound,None,,1,0.31560667026720856665,0,0
Compound,None,,1,0.43232292091088381225,0,0
Compound,None,,1,0.1624485856956962293,0,0
Compound,None,,1,0.077044397605669889817,0,0
Compound,None,,1,0.44954123551166041972,0,0
Compound,None,,1,0.54214815520593861997,0,0
Compound,None,,1,-0.023000611519442208663,0,0
Compound,None,,1,0.24435255101881159234,0,0
Compound,None,,1,-0.53591605341504888749,0,0
Compound,None,,1,0.050133179645289599469,0,0
Compound,None,,1,-0.018288511305046259436,0,0
Compound,None,,1,-0.049334410050791685509,0,0
Compound,None,,1,0.22346699114043228063,0,0
Compound,None,,1,0.22486602687206869167,0,0
Compound,None,,1,-0.57548567057945587688,0,0
Compound,None,,1,0.1251996053521084451,0,0
Compound,None,,1,-0.62230071707722223184,0,0
Compound,None,,1,0.33745057398970507156,0,0
Compound,None,,1,-0.053553127388191512637,0,0
Compound,None,,1,0.093222875336205934804,0,0
Compound,None,,1,-0.42854150270152524538,0,0
Compound,None,,1,-0.75813564978943326356,0,0
Compound,None,,1,0.95658680398271278555,0,0
Compound,None,,1,-0.53628912045310517254,0,0
Compound,None,,1,0.94797232805699760405,0,0
##END=	
##END=	
