# 1 "/u/exp/stan/nmr/lists/pp/c13noehsqcgp.fp" ;c13noehsqcgp.fa ;3D (1H,13C,1H) NOESY-HSQC with optional 15N, 13C' and 2H decoupling ;This version makes use of the gp gradient syntax. ;Muhandiram et. al, J. Magn. Reson. B 102, 317-321 (1993) ;Bruker Avance/Xwin-nmr version ;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu) ; ; $Id: pulseprogram,v 1.1 2021/02/10 22:52:59 bmrbsvc Exp $ ; ; Disclaimer: This pulse program is provided "as is" for your ; information. Support for the use of this pulse program is only ; provided to users of the National Magnetic Resonance Facility ; at Madison (NMRFAM). Users of this pulse program employ it at ; their own risk. Neither NMRFAM nor University of Wisconsin-Madison ; are liable for any physical or other damage incurred during the ; use of this pulse program. ; ;f1: 1H, f2: 15N, f3: 13C, f4: 2H (channel assignments may be changed below) ;o1p: 4.7ppm ;o2p: 118ppm ;o3p: 43ppm ;o4p:: 4.5ppm ; ;d1: relaxation delay=d1+0.1s ;p1 90 H at pl1 ;p3 90 C at pl2 ;p25 90 2H pulse at pl15 (optional) ;d8 mixing time ;pl10: 10kHz H1 field for purge pulses ;pl0 120dB ; ;N15 Waltz-16 PCPD at pl16, cpdprg3 (optional) ;C13 GARP decoupling using CPDPRG2 and PCPD at pl12 ;C' Compensated SEDUCE1 decoupling of C', using p31 at sp3, ; shape seduce1c5/6, offset 0, cpdprg4 waltz16sp3p31 (optional). ;H2 Waltz-16 (cpdprg5) decoupling, using p90 (PCPD) at pl15 ;C evolution: ; in0, SW(C)=1/(2*in0), typically 24 ppm ; l4 complex points "l4=td1/2" ; set cnst0 to 0 (preferably) or 1 to make d0 the smallest possible ; positive delay. cnst0=0 gives (90,-180) phase distortion. ; cnst0=1 gives (270,-540) phase distortion (use LP to correct). ; Processing: extend the FID backwards cnst0 points ; and apply (90,-180) phase correction. ;H1 evolution: ; in10, SW(H)=1/(2*in10), typically 8 ppm ; set cnst10 to 0 (preferably) or 1 to make d10 the smallest possible ; positive delay. cnst10=0 gives (90,-180) phase distortion in F1. ; cnst10=1 gives (270,-540) phase distortion in F1 (use LP to correct). ; Processing: extend the FID backwards cnst10 points ; and apply (90,-180) phase correction. An additional -45 dgr phase ; correction is needed. ; l6 complex points "l6=td2/2" ; ;ns=16,32,..., ds=16,32,... ; ;Recommendations for gradients: ;gpz1: 22% ;gpz2: 22% ;gpz3: 29% ;gpz4: 24% ;gpz5: 44% ;gpz6: -26% ;gpx7: 27% (adjust for magic-angle) ;gpz7: 15% ;gpnam1: sine.50 ;gpnam2: sine.100 ;gpnam3: sine.100 ;gpnam4: sine.50 ;gpnam5: sine.100 ;gpnam6: sine.100 ;gpnam7: sine.50 ; ;#define ONE_D ; uncomment for 1D experiment ;#define SEDUCE ; uncomment for compensated SEDUCE-1 decouling of C' ;#define H2_DEC ; uncomment to enable H2 decoupling ;#define MESSERLE ; this may improve solvent suppression ;#define EXPTCORR ; uncomment if you want "expt" to report ; ; the correct expt time (works with XWIN-NMR 2.x) ; ;Define channel assignments: ; ;You shouldn't have to worry about anything beyond this point :-) ; ;sanity checks ; ; define pulse H1_90 define pulse H1_180 define pulse C13_90 define pulse C13_180 define pulse GRAD1 define pulse GRAD2 define pulse GRAD3 define pulse GRAD4 define pulse GRAD5 define pulse GRAD6 define pulse GRAD7 define delay TAUA4 define delay TAUA7 ;define delay CEN_HC1 ; "H1_90=p1" "H1_180=H1_90*2" "C13_90=p3" "C13_180=C13_90*2" "d11=100m" ;disk i/o "d12=10u" ;power switching etc. "d13=5u" ;a short delay "d14=60u" ;ip,id etc. "d16=300u" ;gradient recovery "d17=p3*2+d13" "p10=8m" "p11=5m" "GRAD1=400u" "GRAD2=3m" "GRAD3=1.0m" "GRAD4=400u" "GRAD5=4m" "GRAD6=3m" "GRAD7=400u" "d2=1.7m" ;1/4J "TAUA4=d2-GRAD4-d13" "TAUA7=d2-GRAD7-d13" ;"CEN_HC1=C13_90-H1_90" "d18=d8-GRAD2-GRAD3-C13_90-d16*2-d13" "d10=(in10-H1_90*1.273)/2" ; "d10=(in10-H1_90*1.273-C13_90*4-d13*2)/2" "d0=(in0-C13_90*1.273-H1_180-d13*2)/2" # 1 "/u/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance.incl ; ;avance-version (03/02/17) ;$Id: pulseprogram,v 1.1 2021/02/10 22:52:59 bmrbsvc Exp $ # 175 "/u/exp/stan/nmr/lists/pp/c13noehsqcgp.fp" 2 # 1 "/u/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad.incl - include file for Gradient Spectroscopy ; ;avance-version (02/05/31) define list EA= ;$Id: pulseprogram,v 1.1 2021/02/10 22:52:59 bmrbsvc Exp $ # 176 "/u/exp/stan/nmr/lists/pp/c13noehsqcgp.fp" 2 1 ze d11 setnmr8|8 2 d13 do:f2 d14 setnmr8^4 d11 setnmr2^0 3 d14 d14 d14 4 d14 d14 d14 5 d14 d14 d14 6 d13 d12 pl10:f1 (p10 ph0 d13 p11 ph1):f1 d13 d1 pl1:f1 pl2:f2 d13 setnmr2|0 d13 setnmr0|34|32|33 d13 setnmr8|4 (C13_90 ph0):f2 d13 GRAD1:gp1 ;400u, 15G/cm d16 d12 pl16:f3 d13 cpds3:f3 ; Begin Proton evolution (H1_90 ph13):f1 if "d10*2 > p3*4 + d13*2" goto 7 2u d10*2 goto 8 7 2u "d27 = d10-(C13_90*2-d13)" (d10*2):f1 (d27 C13_90 ph0 d13 C13_180 ph1 d13 C13_90 ph0):f2 8 2u (H1_90 ph0):f1 ; End Proton evolution d13 do:f3 ; Begin mixing time d18 GRAD2:gp2 ;3ms, 15G/cm d16 (C13_90 ph0):f2 d13 GRAD3:gp3 ;1ms, 20G/cm d16 ; End mixing time (H1_90 ph0):f1 d13 GRAD4:gp4 ;400u, 16G/cm TAUA4 (center (H1_180 ph0):f1 (C13_180 ph0):f2) d13 GRAD4:gp4 ;400u, 16G/cm TAUA4 (H1_90 ph1):f1 d13 GRAD5:gp5 ;4m, 30G/cm d16 d13 ; Begin Carbon evolution (C13_90 ph14):f2 d13 d0 (H1_180 ph0):f1 d0 d13 (C13_90 ph0):f2 ; End Carbon evolution d13 d13 GRAD6:gp6 ;3m, -18G/cm d16 (H1_90 ph15):f1 d13 GRAD7:gp7 ;400u, 20G/cm TAUA7 d17 d12 (center (H1_180 ph0):f1 (C13_180 ph0):f2) d13 GRAD7:gp7 ;400u, 20G/cm TAUA7 setnmr0^34^32^33 (C13_90 ph0 d13 C13_90 ph16):f2 (d13 d12 pl12):f2 (H1_90 ph15):f1 go=2 ph31 cpds2:f2 d11 do:f2 wr #0 if #0 zd setnmr8^4 d13 setnmr2^0 d14 ip14 lo to 3 times 2 d14 id0 d14 ip31 d14 ip31 lo to 4 times l4 d14 rd0 d14 ip13 d14 ip13 lo to 5 times 2 d14 id10 d14 ip31 d14 ip31 lo to 6 times l6 d14 setnmr8^8 exit ph0=0 ph1=1 ph2=2 ph3=3 ph13=(8) 1 1 5 5 ph23=0 0 2 2 ph14=0 2 ph15=2 ;ph15={0}*4 {2}*4 {1}*4 {3}*4 ph16=0 0 2 2 ph31=2 0 0 2 ;ph31=0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1