 $SEQPAR
 ECHOT=60
 SEQ='PRESS'
 FWHMBA=0.008
 $END 
 
 $NMALL
 HZPPPM=127.805222
 NUNFIL=16384
 DELTAT=0.0004
 FILBAS='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_PRESS_TE60_1HzG_MARBLE_singlets.basis'
 FILPS='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_PRESS_TE60_1HzG_MARBLE_singlets.ps'
 AUTOSC=F
 AUTOPH=F
 PPMST=4.2
 PPMEND=0
 IDBASI='ICL Siemens TE60'
 $END
 
 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/acetate.RAW'
 METABO='Act'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/acetone_pete.RAW'
 METABO='Acn'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END
 
 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/acetoacetate_truncated_pete.RAW'
 METABO='AcAc'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/alanine.RAW'
 METABO='Ala'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END
 
 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/ascorbate.RAW'
 METABO='Asc'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/Betaine.RAW'
 METABO='Bet'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/aspartate.RAW'
 METABO='Asp'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/phosphorylcholine-trimethyl.RAW'
 METABO='Cho'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/phosphorylcholine-notrimethyl_BUGFIX.RAW'
 METABO='PCh_noCH3'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/GPC_2.RAW'
 METABO='GPC_noCH3'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/choline-methylene_BUGFIX.RAW'
 METABO='Cho_noCH3'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/creatine_clone_CH3ONLY.RAW'
 METABO='PCr'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/creatine_clone_CH3ONLY.RAW'
 METABO='Cr'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 XTRASH=-0.002
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/creatine_clone_NONCH3.RAW'
 METABO='Cr_noCH3'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END
  
 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/ethanolamine_BUGFIX.RAW'
 METABO='Etm'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/gaba_KAISER2008.RAW'
 METABO='GABA'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/glucose-alpha.RAW'
 METABO='Glc'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/glutamate.RAW'
 METABO='Glu'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/glutamine.RAW'
 METABO='Gln'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/Broad_GSH/GSH_KAISER2010_broad.RAW'
 METABO='GSH'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END
  
 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/glycine.RAW'
 METABO='Glyc'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END
 
 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/lactate.RAW'
 METABO='Lac'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/myo-inositol.RAW'
 METABO='Ins'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/NAAG-singletONLY.RAW'
 METABO='NAAG'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/n-acetylaspartate_CH3ONLY.RAW'
 METABO='NAA'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/n-acetylaspartate_clone_NONCH3.RAW'
 METABO='NAA_noCH3'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/phosphorylethanolamine_BUGFIX.RAW'
 METABO='PE'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END
 
 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/propylene_glycol.RAW'
 METABO='Pgc'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/scyllo-inositol.RAW'
 METABO='Scyllo'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/taurine.RAW'
 METABO='Tau'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/threonine.RAW'
 METABO='Thr'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END

 $NMEACH
 FILRAW='/home/lcmodel/.lcmodel/basis-sets/MARBLE/GAUSS_1Hz/Siemens_TE60/serine.RAW'
 METABO='Ser'
 DEGZER= 0
 DEGPPM= 0
 CONC=1
 NOSHIF=F
 PPMAPP=0.1,-0.4
 PPMPK=0
 $END
