##TITLE=31P_DE-80H_X3
 64 sc D2O
 26.2.2025
##JCAMPDX= 6.0         $$ Bruker NMR JCAMP-DX V2.0
##DATA TYPE= NMR FID
##DATA CLASS= NTUPLES
##ORIGIN= UXNMR, Bruker Analytische Messtechnik GmbH
##OWNER= root
$$ XWIN-NMR		Version 3.5
$$ Mon Jul 20 14:45:21 2026 Russian Standard Time (UT+4h)  Yarkov@DPX200
##.OBSERVE FREQUENCY= 81.013821
##.OBSERVE NUCLEUS= ^31P
##.DELAY= (6, 6)
##.ACQUISITION MODE= SIMULTANEOUS
##.ACQUISITION SCHEME= undefined
##.AVERAGES= 64
##.DIGITISER RES= 17
##SPECTROMETER/DATA SYSTEM= spect
##.PULSE SEQUENCE= zgpg30
##.SOLVENT NAME= D2O
##.SHIFT REFERENCE= (INTERNAL, D2O, 0, 243.863)
##AUDIT TRAIL= $$ (NUMBER, WHEN, WHO, WHERE, WHAT)
$$ ##TITLE= Audit trail, XWIN-NMR		Version 3.5
$$ ##JCAMPDX= 5.01
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= Yarkov
$$ C:/Bruker/XWIN-NMR/data/yarkov2/nmr/P31/2/audita.txt
$$ ##AUDIT TRAIL=  $$ (NUMBER, WHEN, WHO, WHERE, WHAT)
(   1,<2026-07-20 14:36:01.56 +0400>,<Yarkov>,<DPX200>,
      <created by zg, POWCHK disabled, PULCHK disabled
       configuration hash MD5:
       00 E9 B6 7A A2 85 ED C7 34 08 36 98 17 FE 4E 26
       data hash MD5: 32K
       92 47 14 6C 90 B1 F2 75 3A 02 23 B9 4D 2F 45 5D>)
$$ ##END=
$$ 
$$ hash MD5
$$ 92 D5 C5 56 EF 59 B1 33 26 D2 94 7D 8E 48 DB 28
##$RELAX= 
##$BRUKER FILE EXP=cpdprg2
$$ 1 pcpd*3:180
$$   pcpd*4:0
$$   pcpd*2:180
$$   pcpd*3:0
$$   pcpd  :180
$$   pcpd*2:0
$$   pcpd*4:180
$$   pcpd*2:0
$$   pcpd*3:180
$$ 2 pcpd*3:0
$$   pcpd*4:180
$$   pcpd*2:0
$$   pcpd*3:180
$$   pcpd  :0
$$   pcpd*2:180
$$   pcpd*4:0
$$   pcpd*2:180
$$   pcpd*3:0
$$   lo to 2 times 2
$$ 3 pcpd*3:180
$$   pcpd*4:0
$$   pcpd*2:180
$$   pcpd*3:0
$$   pcpd  :180
$$   pcpd*2:0
$$   pcpd*4:180
$$   pcpd*2:0
$$   pcpd*3:180
$$   jump to 1
##$RELAX= 
##$BRUKER FILE EXP=format.temp
$$ EDIT_PAR COMMAND FILE
$$ 
$$ DI_MODE         LONG
$$ ED_ENTRY        ACQU
$$ ORDER           FILE
$$ 
$$ 
$$ HEADER		"F2 - Acquisition Parameters"
$$ T_NAME		Date_
$$ 		TYPE	R64
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0.0 50000000
$$ 		REL	"Date_=itodate(DATE)"
$$ 		INV_REL	"DATE=datetoi(Date_,DATE)"
$$ 		FORMAT	"%14.0f"
$$ 		TEXT	" "
$$ END
$$ T_NAME		Time
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0.0 1000000
$$ 		REL	"Time=itotime(DATE)"
$$ 		INV_REL	"DATE=timetoi(Time,DATE)"
$$ 		FORMAT	"%14.2f"
$$ 		TEXT	" "
$$ END
$$ NAME		INSTRUM
$$ 		TEXT	" "
$$ END
$$ NAME		PROBHD
$$ 		FORMAT	"%14.14s"
$$ 		TEXT	" "
$$ END
$$ NAME		PULPROG
$$ 		TEXT	" "
$$ END
$$ NAME		TD
$$ 		TEXT	" "
$$ END
$$ NAME		SOLVENT
$$ 		TEXT	" "
$$ END
$$ NAME		NS
$$ 		TEXT	" "
$$ END
$$ NAME		DS
$$ 		TEXT	" "
$$ END
$$ T_NAME		SWH
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0.0 1e8
$$ 		REL	"SWH=SW*SFO1"
$$ 		INV_REL "SW=SWH/SFO1"
$$ 		UNIT	"Hz"
$$ 		FORMAT	"%14.3f Hz"
$$ 		TEXT	" "
$$ END
$$ T_NAME          FIDRES
$$                 TYPE    R32
$$                 CLASS   ACQU
$$                 SUBRANGE 0.0 100000
$$                 REL     "FIDRES=SW*SFO1/TD"
$$                 INV_REL "TD = nextpow(SW*SFO1/FIDRES)"
$$ 		UNIT	"Hz"
$$ 		FORMAT	"%14.6f Hz"
$$ 		TEXT	" "
$$ END
$$ T_NAME          AQ
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0.0 1000
$$ 		REL	"AQ=aqcalc(SW,SFO1,TD,DIGTYP)"
$$ 		INV_REL	"TD=tdcalc(SW,SFO1,1.0e6*AQ,DIGTYP)"
$$ 		UNIT	"sec"
$$ 		FORMAT	"%14.7f sec"
$$ 		TEXT	" "
$$ END
$$ NAME		RG
$$ 		TEXT	" "
$$ END
$$ T_NAME          DW
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0.0 1000000
$$ 		REL	"DW=1/(2*SW*SFO1)"
$$ 		INV_REL	"SW=1000000/(2*(0.005+DW)*SFO1)"
$$ 		UNIT	"usec"
$$ 		FORMAT	"%14.3lf usec"
$$ 		TEXT	" "
$$ END
$$ NAME		DE
$$ 		FORMAT	"%14.2f usec"
$$ 		TEXT	" "
$$ END
$$ NAME		TE
$$ 		FORMAT	"%14.1f K"
$$ 		TEXT	" "
$$ END
$$ T_NAME		D1
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE 0.0 1000000
$$ 		REL	"D1=D[1]"
$$ 		INV_REL	"D[1]=D1"
$$ 		UNIT	"sec"
$$ 		FORMAT	"%14.8f sec"
$$ 		TEXT	" "
$$ END
$$ T_NAME		d11
$$ 		TYPE	R32
$$ 		SUBRANGE 0.0 1e8
$$ 		CLASS	ACQU
$$ 		REL	"d11=30m"
$$ 		INV_REL	"D[0]=d11"
$$ 		UNIT	"sec"
$$ 		TEXT	" "
$$ 		FORMAT	"%14.8f sec"
$$ 		NONEDIT
$$ END
$$ T_NAME		DELTA
$$ 		TYPE	R32
$$ 		SUBRANGE 0.0 1e8
$$ 		CLASS	ACQU
$$ 		REL	"DELTA=d1-100m"
$$ 		INV_REL	"D[0]=DELTA"
$$ 		UNIT	"sec"
$$ 		TEXT	" "
$$ 		FORMAT	"%14.8f sec"
$$ 		NONEDIT
$$ END
$$ T_NAME		MCREST 
$$ 		TYPE	R32
$$ 		SUBRANGE 0.0 1e8
$$ 		CLASS	ACQU
$$ 		REL	"MCREST = 30m - 30m"
$$ 		INV_REL	"D[0]=MCREST "
$$ 		UNIT	"sec"
$$ 		TEXT	" "
$$ 		FORMAT	"%14.8f sec"
$$ 		NONEDIT
$$ END
$$ T_NAME		MCWRK 
$$ 		TYPE	R32
$$ 		SUBRANGE 0.0 1e8
$$ 		CLASS	ACQU
$$ 		REL	"MCWRK = 0.500000*30m"
$$ 		INV_REL	"D[0]=MCWRK "
$$ 		UNIT	"sec"
$$ 		TEXT	" "
$$ 		FORMAT	"%14.8f sec"
$$ 		NONEDIT
$$ END
$$ HEADER		"======== CHANNEL f1 ========"
$$ NAME		NUC1
$$ 		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		PL1
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE -6.0 120
$$ 		REL	"PL1=PL[1]"
$$ 		INV_REL	"PL[1]=PL1"
$$ 		UNIT	"dB"
$$ 		FORMAT	"%14.2f dB"
$$ 		TEXT	" "
$$ END
$$ NAME		SFO1
$$ 		FORMAT	"%14.7f MHz"
$$ 		TEXT	" "
$$ END
$$ HEADER		"======== CHANNEL f2 ========"
$$ NAME		CPDPRG2
$$ 		TEXT	" "
$$ END
$$ NAME		NUC2
$$ 		TEXT	" "
$$ END
$$ T_NAME		PCPD2
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE -1000000 1000000
$$ 		REL	"PCPD2=PCPD[2]"
$$ 		INV_REL	"PCPD[2]=PCPD2"
$$ 		UNIT	"usec"
$$ 		FORMAT	"%14.2f usec"
$$ 		TEXT	" "
$$ END
$$ T_NAME		PL2
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE -6.0 120
$$ 		REL	"PL2=PL[2]"
$$ 		INV_REL	"PL[2]=PL2"
$$ 		UNIT	"dB"
$$ 		FORMAT	"%14.2f dB"
$$ 		TEXT	" "
$$ END
$$ T_NAME		PL12
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE -6.0 120
$$ 		REL	"PL12=PL[12]"
$$ 		INV_REL	"PL[12]=PL12"
$$ 		UNIT	"dB"
$$ 		FORMAT	"%14.2f dB"
$$ 		TEXT	" "
$$ END
$$ T_NAME		PL13
$$ 		TYPE	R32
$$ 		CLASS	ACQU
$$ 		SUBRANGE -6.0 120
$$ 		REL	"PL13=PL[13]"
$$ 		INV_REL	"PL[13]=PL13"
$$ 		UNIT	"dB"
$$ 		FORMAT	"%14.2f dB"
$$ 		TEXT	" "
$$ END
$$ NAME		SFO2
$$ 		FORMAT	"%14.7f MHz"
$$ 		TEXT	" "
$$ END
##$RELAX= 
##$BRUKER FILE EXP=scon
$$ ##TITLE= Parameter file, XWIN-NMR		Version 3.5
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= she
$$ Mon Jul 20 14:34:16 2026 Russian Standard Time (UT+4h)  Yarkov@DPX200
$$ C:/Bruker/XWIN-NMR/data/yarkov2/nmr/P31/2/scon
$$ ##$BLKPA= (0..15)
3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
$$ ##$BLKTR= (0..15)
3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
$$ ##$DE1= 2
$$ ##$DE2= 2
$$ ##$DEADC= 4
$$ ##$DEPA= 2
$$ ##$DERX= 3
$$ ##$PHASP4= (0..15)
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 
$$ ##$PHASPR= (0..15)
3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
$$ ##$SHAPPR= (0..15)
1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 1.6 
$$ ##END=
##$RELAX= 
##$BRUKER FILE EXP=pulseprogram
$$ # 1 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30"
$$ ;zgpg30
$$ ;avance-version (03/04/17)
$$ ;1D sequence with power-gated decoupling
$$ ;using 30 degree flip angle
$$ 
$$ 
$$ # 1 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/Avance.incl" 1
$$ ;Avance.incl
$$ ;
$$ ;avance-version (03/02/17)
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
$$ 
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$$ 
$$ 
$$ 
$$ 
$$ ;$Id: Avance1.incl,v 1.7.2.3 2003/02/25 14:48:47 ber Exp $
$$ # 7 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30" 2
$$ 
$$ # 1 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/Delay.incl" 1
$$ ;Delay.incl  -  include file for commonly used delays
$$ ;
$$ ;version 00/02/07
$$ 
$$ 
$$ ;general delays
$$ 
$$ define delay DELTA
$$ define delay DELTA1
$$ define delay DELTA2
$$ define delay DELTA3
$$ define delay DELTA4
$$ define delay DELTA5
$$ define delay DELTA6
$$ define delay DELTA7
$$ define delay DELTA8
$$ 
$$ define delay TAU
$$ define delay TAU1
$$ define delay TAU2
$$ define delay TAU3
$$ define delay TAU4
$$ define delay TAU5
$$ 
$$ 
$$ ;delays for centering pulses
$$ 
$$ define delay CEN_HN1
$$ define delay CEN_HN2
$$ define delay CEN_HN3
$$ define delay CEN_HC1
$$ define delay CEN_HC2
$$ define delay CEN_HC3
$$ define delay CEN_HC4
$$ define delay CEN_HP1
$$ define delay CEN_HP2
$$ define delay CEN_CN1
$$ define delay CEN_CN2
$$ define delay CEN_CN3
$$ define delay CEN_CN4
$$ define delay CEN_CP1
$$ define delay CEN_CP2
$$ 
$$ 
$$ ;loop counters
$$ 
$$ define loopcounter COUNTER
$$ define loopcounter SCALEF
$$ define loopcounter FACTOR1
$$ define loopcounter FACTOR2
$$ define loopcounter FACTOR3
$$ 
$$ 
$$ 
$$ ;$Id: Delay.incl,v 1.11 2002/06/12 09:04:22 ber Exp $
$$ # 8 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30" 2
$$ 
$$ 
$$ 
$$ 
$$ "d11=30m"
$$ 
$$ 
$$ "DELTA=d1-100m"
$$ 
$$ 
$$ # 1 "mc_line 18 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30 expanding definition part of mc command before ze"
$$ define delay MCWRK
$$ define delay MCREST
$$ "MCWRK = 0.500000*30m"
$$ "MCREST = 30m - 30m"
$$ # 18 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30"
$$ 1 ze
$$ # 1 "mc_line 18 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30 expanding definition of mc command after ze"
$$ # 19 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30"
$$   d11 pl12:f2
$$ # 1 "mc_line 20 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30 expanding start label for mc command"
$$ 2 MCWRK  * 2 do:f2
$$ LBLF0, MCREST
$$ # 21 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30"
$$   10u pl13:f2
$$   d11 cpd2:f2
$$   DELTA
$$   4u do:f2
$$   10u pl12:f2
$$   100m cpd2:f2
$$   p1*0.33 ph1
$$   go=2 ph31
$$ # 1 "mc_line 29 file C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30 expanding mc command in line"
$$   MCWRK do:f2 pl13:f2 wr #0
$$   MCWRK zd 
$$   lo to LBLF0 times td0
$$ 
$$ # 30 "C:/Bruker/XWIN-NMR/exp/stan/nmr/lists/pp/zgpg30"
$$ exit
$$ 
$$ 
$$ 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)
$$ ;pl12: f2 channel - power level for CPD/BB decoupling
$$ ;pl13: f2 channel - power level for second CPD/BB decoupling
$$ ;p1 : f1 channel -  90 degree high power pulse
$$ ;d1 : relaxation delay; 1-5 * T1
$$ ;d11: delay for disk I/O                             [30 msec]
$$ ;NS: 1 * n, total number of scans: NS * TD0
$$ ;cpd2: decoupling according to sequence defined by cpdprg2
$$ ;pcpd2: f2 channel - 90 degree pulse for decoupling sequence
$$ 
$$ 
$$ 
$$ ;$Id: zgpg30,v 1.7.2.1 2003/04/17 16:18:26 ber Exp $
##$RELAX= 
##$BRUKER FILE EXP=uxnmr.par
$$ ##TITLE= Parameter file, XWIN-NMR		Version 3.5
$$ ##JCAMPDX= 5.0
$$ ##DATATYPE= Parameter Values
$$ ##ORIGIN= Bruker BioSpin GmbH
$$ ##OWNER= Administrator
$$ Sat Apr 11 15:08:09 2015 Russian Standard Time (UT+4h)  Administrator@DPX200
$$ C:/Bruker/XWIN-NMR/conf/instr/spect/uxnmr.par
$$ ##$ACB= 0
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0 88 72 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$ACBTBA= (0..15)
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$$ ##$AQSBDNO= (0..31)
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$$ ##$AQSBDTY= (0..31)
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$$ ##$AQSBUAD= (0..31)
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$$ ##$AQSECL= (0..31)
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$$ ##$ATT19F= (0..1)
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$$ ##$ATT1H= (0..1)
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-1 -1 -1 -1 
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$$ ##$PAMPF1= (0..15)
75 99 67 27 0 0 0 12 48 94 66 0 144 29 6 4 
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$$ ##$PAMPF7= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$PAMPF8= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$PH4= 0
$$ ##$PHF4TY= <no>
$$ ##$POWCHK= no
$$ ##$PRAMD1= (0..7)
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$$ ##$PRAMD10= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD11= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD12= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD13= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD14= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD15= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD16= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD2= (0..7)
2147483644 2146435071 2147483647 134217727 2147483644 2146435071 2147483647 
134217727 
$$ ##$PRAMD3= (0..7)
2 0 0 0 2 0 0 0 
$$ ##$PRAMD4= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD5= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD6= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD7= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD8= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMD9= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PRAMLED= (0..1)
15 15 
$$ ##$PRAMP1= <tty01>
$$ ##$PRAMP2= <no>
$$ ##$PRAMP3= <no>
$$ ##$PRAMP4= <no>
$$ ##$PRAMP5= <no>
$$ ##$PRAMP6= <no>
$$ ##$PRAMP7= <no>
$$ ##$PRAMP8= <no>
$$ ##$PRAMPTP= 0
$$ ##$PREPTY= <no>
$$ ##$PRESHLD= 0
$$ ##$PTS160= -1
$$ ##$PTSA2X= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$PTSF2X= (0..7)
309 309 0 0 0 0 0 0 
$$ ##$PTSFMX= (0..7)
620 620 0 0 0 0 0 0 
$$ ##$PULCHK= no
$$ ##$RCUCDS= (0..7)
4194304 0 0 0 0 0 0 0 
$$ ##$RCUCFS= (0..7)
4096 0 0 0 0 0 0 0 
$$ ##$RCUCSS= (0..7)
262144 0 0 0 0 0 0 0 
$$ ##$RCUI2C1= (0..7)
78 0 0 0 0 0 0 0 
$$ ##$RCUI2C2= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$RCUI2C3= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$RCUI2C4= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$RCUI2C5= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$RCUI2C6= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$RCUI2C7= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$RCUI2C8= (0..7)
0 0 0 0 0 0 0 0 
$$ ##$RDCU= 0
$$ ##$RGTYPE= (0..7)
5 0 0 0 0 0 0 0 
$$ ##$RG_max= (0..7)
46341 0 0 0 0 0 0 0 
$$ ##$RG_min= (0..7)
1 0 0 0 0 0 0 0 
$$ ##$ROUTER= 2
$$ ##$RX22TY= <tty10>
$$ ##$SCMTY= <no>
$$ ##$SPECTR= 7
$$ ##$SY2FLAG= 0
$$ ##$TFXNUM= 0
$$ ##$TRIPLO2= 0
$$ ##$VTUTY= <no>
$$ ##$WBREFAM= (0..15)
100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 
$$ ##$WBREFPH= (0..15)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
$$ ##$XFAC= 2
$$ ##END=
##$RELAX= 
##$BRUKER FILE PROC=baslpnts
$$ 32768
##$RELAX= 
##$BRUKER FILE PROC=intrng
$$ P 0
$$ 168.378517   168.091104
$$ 118.833331   118.197352
$$ 110.461649   109.972435
$$ 41.402924   40.766946
$$ 40.711909   40.112621
$$ 28.383707   27.943414
$$ -1.164842   -1.446140
$$ -2.216653   -2.803710
$$ -2.919899   -3.464150
$$ -65.294732   -65.698334
$$ -124.355139   -124.942196
$$ -135.552033   -136.139090
$$ -172.830169   -173.735215
$$ -177.294250   -177.783464
$$ -177.881307   -178.505056
##$RELAX= 
$$ Bruker specific parameters
$$ --------------------------
##$DU= <C:/Bruker/XWIN-NMR>
##$EXPNO= 2
##$NAME= <P31>
##$PROCNO= 1
##$TYPE= <nmr>
##$USER= <yarkov2>
##$AMP= (0..31)
100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 100 
100 100 100 100 100 100 100 100 100 100 100 100 100 100 
##$AQSEQ= 0
##$AQ_mod= 1
##$AUNM= <au_zg>
##$AUTOPOS= <>
##$BF1= 81.014009
##$BF2= 200.13
##$BF3= 200.13
##$BF4= 200.13
##$BF5= 200.13
##$BF6= 200.13
##$BF7= 200.13
##$BF8= 200.13
##$BYTORDA= 1
##$CFDGTYP= 0
##$CFRGTYP= 5
##$CHEMSTR= <none>
##$CNST= (0..31)
1 1 145 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
##$CPDPRG= <waltz16>
##$CPDPRG1= <>
##$CPDPRG2= <waltz16>
##$CPDPRG3= <>
##$CPDPRG4= <mlev>
##$CPDPRG5= <mlev>
##$CPDPRG6= <mlev>
##$CPDPRG7= <mlev>
##$CPDPRG8= <mlev>
##$CPDPRGB= <>
##$CPDPRGT= <>
##$D= (0..31)
0 1 0 0 0 0 0 0 0 0.06 0 0.03 2e-05 3e-06 0 0 0.0002 0 0 0 0 0 0 0 0 0 
0 0 0 0 0 0 
##$DATE= 1784543761
##$DBL= (0..7)
120 120 120 11 120 120 24 19 
##$DBP= (0..7)
150 150 150 150 150 150 150 150 
##$DBP07= 0
##$DBPNAM0= <>
##$DBPNAM1= <>
##$DBPNAM2= <>
##$DBPNAM3= <>
##$DBPNAM4= <>
##$DBPNAM5= <>
##$DBPNAM6= <>
##$DBPNAM7= <>
##$DBPOAL= (0..7)
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 
##$DBPOFFS= (0..7)
0 0 0 0 0 0 0 0 
##$DE= 6
##$DECBNUC= <off>
##$DECIM= 4
##$DECNUC= <off>
##$DECSTAT= 4
##$DIGMOD= 1
##$DIGTYP= 9
##$DL= (0..7)
0 0 52 120 120 21 21 25 
##$DP= (0..7)
150 150 150 150 150 150 150 150 
##$DP07= 0
##$DPNAME0= <>
##$DPNAME1= <>
##$DPNAME2= <>
##$DPNAME3= <>
##$DPNAME4= <>
##$DPNAME5= <>
##$DPNAME6= <>
##$DPNAME7= <>
##$DPOAL= (0..7)
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 
##$DPOFFS= (0..7)
0 0 0 0 0 0 0 0 
##$DQDMODE= 0
##$DR= 17
##$DS= 0
##$DSLIST= <SSSSSSSSSSSSSSS>
##$DSPFIRM= 0
##$DSPFVS= 10
##$DTYPA= 0
##$EXP= <PS done>
##$F1LIST= <111111111111111>
##$F2LIST= <222222222222222>
##$F3LIST= <333333333333333>
##$FCUCHAN= (0..9)
0 1 2 0 0 0 0 0 0 0 
##$FL1= 90
##$FL2= 90
##$FL3= 90
##$FL4= 90
##$FOV= 20
##$FQ1LIST= <freqlist>
##$FQ2LIST= <freqlist>
##$FQ3LIST= <freqlist>
##$FQ4LIST= <freqlist>
##$FQ5LIST= <freqlist>
##$FQ6LIST= <freqlist>
##$FQ7LIST= <freqlist>
##$FQ8LIST= <freqlist>
##$FS= (0..7)
0 0 0 0 0 83 83 83 
##$FTLPGN= 0
##$FW= 93750
##$FnMODE= 0
##$GP031= 0
##$GPNAM0= <sine.100>
##$GPNAM1= <sine.100>
##$GPNAM10= <sine.100>
##$GPNAM11= <sine.100>
##$GPNAM12= <sine.100>
##$GPNAM13= <sine.100>
##$GPNAM14= <sine.100>
##$GPNAM15= <sine.100>
##$GPNAM16= <sine.100>
##$GPNAM17= <sine.100>
##$GPNAM18= <sine.100>
##$GPNAM19= <sine.100>
##$GPNAM2= <sine.100>
##$GPNAM20= <sine.100>
##$GPNAM21= <sine.100>
##$GPNAM22= <sine.100>
##$GPNAM23= <sine.100>
##$GPNAM24= <sine.100>
##$GPNAM25= <sine.100>
##$GPNAM26= <sine.100>
##$GPNAM27= <sine.100>
##$GPNAM28= <sine.100>
##$GPNAM29= <sine.100>
##$GPNAM3= <sine.100>
##$GPNAM30= <sine.100>
##$GPNAM31= <sine.100>
##$GPNAM4= <sine.100>
##$GPNAM5= <sine.100>
##$GPNAM6= <sine.100>
##$GPNAM7= <sine.100>
##$GPNAM8= <sine.100>
##$GPNAM9= <sine.100>
##$GPX= (0..31)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
##$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= <>
##$HDDUTY= 20
##$HDRATE= 20
##$HGAIN= (0..3)
0 0 0 0 
##$HL1= 90
##$HL2= 90
##$HL3= 90
##$HL4= 90
##$HOLDER= 0
##$HPMOD= (0..7)
0 0 0 0 0 0 0 0 
##$HPPRGN= 0
##$IN= (0..31)
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 
0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 
##$INP= (0..31)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
##$INSTRUM= <spect>
##$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 
##$LFILTER= 200
##$LGAIN= -8
##$LOCKED= yes
##$LOCKFLD= 2335
##$LOCKGN= 129.899993896484
##$LOCKPOW= -25
##$LOCKPPM= 2.49000000953674
##$LOCNUC= <2H>
##$LOCPHAS= 227
##$LOCSHFT= no
##$LTIME= 0.200000002980232
##$MASR= 0
##$MASRLST= <masrlst>
##$NBL= 1
##$NC= -1
##$NS= 64
##$NUC1= <31P>
##$NUC2= <1H>
##$NUC3= <off>
##$NUC4= <off>
##$NUC5= <off>
##$NUC6= <off>
##$NUC7= <off>
##$NUC8= <off>
##$NUCLEI= 0
##$NUCLEUS= <off>
##$O1= -188
##$O2= 1000.00000000477
##$O3= -119105724.114713
##$O4= 300002600.670695
##$O5= 300000000
##$O6= 300000000
##$O7= 300000000
##$O8= 300000000
##$OBSCHAN= (0..9)
0 0 0 0 0 0 0 0 0 0 
##$OVERFLW= 0
##$P= (0..31)
12 12 24 10.5 21 0 0 0 4 0 0 0 0 2 0 200000 1000 2500 0 600 38 0 0 0 0 
0 250000 12 1000 2000 0 105 
##$PAPS= 2
##$PARMODE= 0
##$PCPD= (0..9)
100 100 100 100 100 100 100 100 100 100 
##$PHCOR= (0..31)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
##$PHP= 2
##$PH_ref= 0
##$PL= (0..31)
120 10 6 120 120 120 120 120 120 120 120 120 25.58 28.6 120 120 120 120 
10 120 120 120 120 120 120 120 120 120 120 120 120 120 
##$POWMOD= 0
##$PR= 6
##$PRECHAN= (0..15)
5 1 5 2 5 5 5 5 5 5 5 5 5 5 5 5 
##$PRGAIN= 0
##$PROBHD= <5 mm QNP 1H/13C/31P/19F Z3183/0111
>
##$PROSOL= no
##$PULPROG= <zgpg30>
##$PW= 0
##$QNP= 2
##$RD= 0
##$RECCHAN= (0..15)
-1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 
##$RECPH= 0
##$RG= 400
##$RO= 0
##$ROUTWD1= (0..23)
1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 
##$ROUTWD2= (0..23)
1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 
##$RPUUSED= (0..8)
0 0 0 0 0 0 0 0 0 
##$RSEL= (0..9)
0 1 2 0 0 0 0 0 0 0 
##$S= (0..7)
83 83 83 83 83 83 83 83 
##$SEOUT= 0
##$SFO1= 81.013821
##$SFO2= 200.131
##$SFO3= 81.0242758852874
##$SFO4= 500.132600670695
##$SFO5= 500.13
##$SFO6= 500.13
##$SFO7= 500.13
##$SFO8= 500.13
##$SOLVENT= <D2O>
##$SP= (0..31)
1 120 120 120 0 0 120 120 0 0 0 0 0 0 0 0 150 150 150 150 150 150 150 
150 150 150 150 150 150 150 150 150 
##$SP07= 0
##$SPECTR= 0
##$SPNAM0= <gauss>
##$SPNAM1= <Gaus1.1000>
##$SPNAM10= <gauss>
##$SPNAM11= <gauss>
##$SPNAM12= <gauss>
##$SPNAM13= <gauss>
##$SPNAM14= <gauss>
##$SPNAM15= <gauss>
##$SPNAM16= <gauss>
##$SPNAM17= <gauss>
##$SPNAM18= <gauss>
##$SPNAM19= <gauss>
##$SPNAM2= <Gaus1.1000>
##$SPNAM20= <gauss>
##$SPNAM21= <gauss>
##$SPNAM22= <gauss>
##$SPNAM23= <gauss>
##$SPNAM24= <gauss>
##$SPNAM25= <gauss>
##$SPNAM26= <gauss>
##$SPNAM27= <gauss>
##$SPNAM28= <gauss>
##$SPNAM29= <gauss>
##$SPNAM3= <Gaus1.1000>
##$SPNAM30= <gauss>
##$SPNAM31= <gauss>
##$SPNAM4= <gauss>
##$SPNAM5= <gauss>
##$SPNAM6= <Gaus1.1000>
##$SPNAM7= <Gaus1.1000>
##$SPNAM8= <gauss>
##$SPNAM9= <gauss>
##$SPOAL= (0..31)
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 
##$SPOFFS= (0..31)
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 
##$SUBNAM0= <"">
##$SUBNAM1= <"">
##$SUBNAM2= <"">
##$SUBNAM3= <"">
##$SUBNAM4= <"">
##$SUBNAM5= <"">
##$SUBNAM6= <"">
##$SUBNAM7= <"">
##$SUBNAM8= <"">
##$SUBNAM9= <"">
##$SW= 400.765351723535
##$SWIBOX= (0..15)
0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 
##$SW_h= 32467.5324675325
##$TD= 32768
##$TD0= 1
##$TE= 0
##$TE2= 300
##$TE3= 300
##$TEG= 300
##$TL= (0..7)
0 120 53 12 22 120 120 120 
##$TP= (0..7)
150 150 150 150 150 150 150 150 
##$TP07= 0
##$TPNAME0= <>
##$TPNAME1= <>
##$TPNAME2= <>
##$TPNAME3= <>
##$TPNAME4= <>
##$TPNAME5= <>
##$TPNAME6= <>
##$TPNAME7= <>
##$TPOAL= (0..7)
0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 
##$TPOFFS= (0..7)
0 0 0 0 0 0 0 0 
##$TUNHIN= 0
##$TUNHOUT= 0
##$TUNXOUT= 0
##$USERA1= <user>
##$USERA2= <user>
##$USERA3= <user>
##$USERA4= <user>
##$USERA5= <user>
##$V9= 5
##$VALIST= <valist>
##$VCLIST= <CCCCCCCCCCCCCCC>
##$VD= 0
##$VDLIST= <DDDDDDDDDDDDDDD>
##$VPLIST= <PPPPPPPPPPPPPPP>
##$VTLIST= <TTTTTTTTTTTTTTT>
##$WBST= 1024
##$WBSW= 4
##$XGAIN= (0..3)
0 0 0 0 
##$XL= 0
##$YL= 0
##$YMAX_a= 9294
##$YMIN_a= -10962
##$ZGOPTNS= <>
##$ZL1= 120
##$ZL2= 120
##$ZL3= 120
##$ZL4= 120
##$ABSF1= 60
##$ABSF2= -190
##$ABSG= 5
##$ABSL= 3
##$ALPHA= 0
##$AQORDER= 0
##$ASSFAC= 0
##$ASSFACI= 0
##$ASSFACX= 0
##$ASSWID= 0
##$AUNMP= <proc_1d>
##$AZFE= 0.1
##$AZFW= 0.5
##$BCFW= 1
##$BC_mod= 2
##$BYTORDP= 1
##$COROFFS= 0
##$CY= 9.86611175537109
##$DATMOD= 1
##$DC= 1
##$DFILT= <>
##$DTYPP= 0
##$F1P= 182.462994727601
##$F2P= 168.069089081705
##$FCOR= 0.5
##$FTSIZE= 0
##$FT_mod= 0
##$GAMMA= 1
##$GB= 0
##$INTBC= 1
##$INTSCL= 1
##$ISEN= 30
##$LB= 1.5
##$LEV0= 0
##$LPBIN= 0
##$MAXI= 11.51145
##$MC2= 0
##$MEAN= 0
##$ME_mod= 0
##$MI= 1.244541
##$NCOEF= 0
##$NC_proc= 0
##$NLEV= 6
##$NOISF1= 0
##$NOISF2= 0
##$NSP= 1
##$NTH_PI= 0
##$NZP= 1
##$OFFSET= 243.8632
##$PC= 1.4
##$PHC0= 1571.676
##$PHC1= 109.1595
##$PH_mod= 0
##$PKNL= yes
##$PPARMOD= 0
##$PSCAL= 0
##$PSIGN= 0
##$REVERSE= no
##$SF= 81.0140731611343
##$SI= 65536
##$SIGF1= 0
##$SIGF2= 0
##$SINO= 80
##$SIOLD= 65536
##$SREGLST= <31P.CDCl3>
##$SSB= 0
##$STSI= 0
##$STSR= 0
##$SW_p= 25641.0256410257
##$SYMM= 0
##$S_DEV= 0
##$TDeff= 0
##$TDoff= 0
##$TI= <>
##$TILT= no
##$TM1= 0
##$TM2= 0
##$TOPLEV= 0
##$USERP1= <user>
##$USERP2= <user>
##$USERP3= <user>
##$USERP4= <user>
##$USERP5= <user>
##$WDW= 1
##$XDIM= 64
##$YMAX_p= 0
##$YMIN_p= 0
$$ End of Bruker specific parameters
$$ ---------------------------------
##NTUPLES= NMR FID
##VAR_NAME=  TIME,          FID/REAL,        FID/IMAG
##SYMBOL=    X,             R,               I
##VAR_TYPE=  INDEPENDENT,   DEPENDENT,       DEPENDENT
##VAR_FORM=  AFFN,          ASDF,            ASDF
##VAR_DIM=   16384,         16384,           16384
##UNITS=     SECONDS,       ARBITRARY UNITS, ARBITRARY UNITS
##FACTOR=    3.08e-05,      1,               1
##FIRST=     0,             0,               0
##LAST=      0.5045964,     0,               0
##MIN=       0,             -10962,          0
##MAX=       0.5045964,     9294,            0
$$ Real data points
##PAGE= N=1
##DATA TABLE= (X++(R..R)), XYDATA
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$$ Imaginary data points
##PAGE= N=2
##DATA TABLE= (X++(I..I)), XYDATA
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15535a267J234j168J939j123J79N95N15l80j15o3P12j558J351j76j123RJ098q91
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15570f25m04J75P89J311j634K163j859M64M26k263J941j364J254l15L71l70j036
15587i76J570j307N51K04m42K17N1n91Q27n77O82p47O37j128J968j884R82j33
15605i6n78J828j326M69j578J479J08r48M88m90J499n89M68l32j648K291k117
15622a072J147o69p05J527q77J221q10N44q89L78j4k16N32l54P15L88n80j25q63
15641g22J251n33j33M95o71R84j688J442N6J44j83l63k2o87R25q6l06j112J131
15660g8L0K55q56m7O32n2J93J57n34P8m8j8J161p27N34j491J672r58j303J853
15680D53p95P70j418K228j415K90j08p22K467j642K16k90p13Q87l72J073j630
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15788C26m43J51M2j063J583m96m48k27K6Q52L47j8l30o95j01J62p0O76n61N09
15808B22N6j36Q69j488O80j0M32j131J301l32k52o82J256j714J629n18P35q95
15826B2kR01q98q5O6J70r68R32M58j250p3Q89N8n40J504m61o55L73j31L87j204
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15866a35N06q23J386K42j760J621q94M91q24q54P94j22P55m33L29j4m4j172Q56
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16034G28n39l15J424n87n03n75P54k61j15O77m94n82Q9m54J94L55M40k90O67j554
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16092h99R87M98j501J125p80J30q12J497n2L3j102Q02r91R89k60o41L49J054o39
16111b13m26L71Q4Q07p40N2M41j200N77O77p77q00J414l18K81r48J104j343P17
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16299a107J273q11L94m49Q77p82M60J484k064N49j58L0J018j291R13j007K90o84
16317a065P20N03o22J115j212J211o15j30J204k128J317o00R98r81J020M44j603
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16372g77Q59k98O1m16Q24j98j46Q45j062M7K39
16383b2
##END NTUPLES=NMR FID
##END=
