# 1 "/u/exp/stan/nmr/lists/pp/fhsqc.s" ;fhsqc.fa ;2D 15N-FHSQC, with optional C13 decoupling and SEDUCE-1 decoupling. ;This version uses the gp style gradients. ;Mori et al., J. Magn. Reson. B 108, 94-98 (1995) ;Bruker Avance/Xwin-nmr version ;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu) ; ; $Id: pulseprogram,v 1.1 2021/02/10 21:35:29 bmrbsvc Exp $ ; ; Disclaimer: This pulse program is provided "as is" for your ; information. Support for the use of this pulse program is ; 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 (channel assignments may be changed below) ;o1p: 4.7ppm ;o2p: 118ppm ;o3p:: 46ppm ; ;p1 90 H1 at pl1 ;p2 90 N15 at pl2 ;p3 90 C13 at pl3 (for 90 C if using C13 labeled sample) ;d21: 1/(2*dNu), dNu=Nu(NH)-Nu(H2O) ;N15 Waltz-16 PCPD2 at pl12, cpdprg2 ;C' Compensated SEDUCE1 decoupling of C', using pcpd3 at sp3, ; shape seduce1c5/6, offset 0, cpdprg3 waltz16sp3. ;N15 evolution: ; SW(N)=1/2*in0, ; l4 complex points, "1 TD" = 2*l4, ; initial delay = in0; Phase correction: ph0=90, ph1=-180. ;ns=(2,) 4,8,... ,ds=4,8,... (full phase cycle is 4 steps). ; ;Recommendations for gradients, three axis (single axis): ;gpx1: 5% (0%) ;gpy1: 5% (0%) ;gpz1: 5% (20%) ;gpz2: 6% (6%) ;gpx3: 54%, adjust for ma (0%) ;gpz3: 30% (55%) ;gpx4: 22% (0%) ;gpz4: 0% (22%) ;gpnam1: sine.50 ;gpnam2: sine.100 ;gpnam3: sine.100 ;gpnam4: sine.100 ;#define ONE_D ; uncomment for 1D experiment ; the correct exp. time (works with XWIN-NMR 2.x) ; ;Define channel assignments: ; ;You shouldn't have to worry about anything beyond this point :-) ; # 65 "/u/exp/stan/nmr/lists/pp/fhsqc.s" ; define delay TAUA define delay TAUB define delay TAUW define delay TAUW1 define pulse H1_90 define pulse H1_180 define pulse N15_90 define pulse N15_180 define pulse C13_90 define pulse C13_180 define delay CEN_HC1 define delay CEN_HN1 define pulse GRAD1 define pulse GRAD2 define pulse GRAD3 define pulse GRAD4 "d11=100m" ;disk i/o "d13=5u" ;a short delay "d14=40u" ;ip,id etc. "d16=300u" ;gradient recovery "H1_90=p1" "H1_180=H1_90*2" "N15_90=p2" "N15_180=N15_90*2" "d6=H1_90" ; "GRAD1=500u" "GRAD2=1.0m" "GRAD3=700u" "GRAD4=700u" "TAUA=2.25m-GRAD1-d16-d13" "TAUW=d21" "TAUB=2.25m-TAUW*2.5-H1_90*2.385-GRAD3-d16-d13" "TAUW1=(TAUW/2)-N15_90" "CEN_HN1=N15_90-H1_90" "C13_90=p3" "C13_180=C13_90*2" "d12=10u" ;power switching etc. "CEN_HC1=C13_90-H1_90" "d0=(in0-N15_90*1.273-C13_180-d13*4-d12*2)/2" # 118 "/u/exp/stan/nmr/lists/pp/fhsqc.s" # 121 "/u/exp/stan/nmr/lists/pp/fhsqc.s" "d31=2*TAUA+2*TAUB+4*TAUW+2*TAUW1+2*(GRAD1+GRAD2+GRAD3)+GRAD4" # 135 "/u/exp/stan/nmr/lists/pp/fhsqc.s" # 1 "/u/exp/stan/nmr/lists/pp//Avance.incl" ;Avance.incl ; ;version 99/08/02 # 138 "/u/exp/stan/nmr/lists/pp/fhsqc.s" # 1 "/u/exp/stan/nmr/lists/pp//Grad.incl" ;Grad.incl - include file for Gradient Spectroscopy ;avance-version ;version 99/02/19 define list EA= # 139 "/u/exp/stan/nmr/lists/pp/fhsqc.s" 1 ze 2 d14 do:f2 d11 setnmr2^0 3 d14 d14 d14 4 d13 # 1 "/u/exp/stan/nmr/lists/pp//faexptcorr.incl" ; This is here to trick "expt" to calculate the experiment time ; correctly. if "1 == 1" goto nod31 d31 nod31, d13 # 149 "/u/exp/stan/nmr/lists/pp/fhsqc.s" d1 pl1:f1 pl2:f2 d12 pl3:f3 d13 setnmr2|0 d13 setnmr0|34 (N15_90 ph0):f2 d13 GRAD4:gp4 ;700u, 15G/cm, x d16 (H1_90 ph0):f1 d13 GRAD1:gp1 ;500u, 4G/cm, x,y,z d16 TAUA (CEN_HN1 H1_180 ph0):f1 (N15_180 ph0):f2 TAUA d13 GRAD1:gp1 ;500u, 4G/cm d16 (H1_90 ph1):f1 d13 GRAD2:gp2 ;1.0m, 4G/cm d16 # 180 "/u/exp/stan/nmr/lists/pp/fhsqc.s" d13 \n d12 pl0:f3 \n d13 cpds3:f3 (N15_90 ph11):f2 d0 d13 do:f3 \n d12 pl3:f3 \n d13 (CEN_HC1 H1_180 ph0):f1 (C13_180 ph0):f3 # 189 "/u/exp/stan/nmr/lists/pp/fhsqc.s" d13 \n d12 pl0:f3 \n d13 cpds3:f3 d0 (N15_90 ph12):f2 d13 do:f3 \n d12 pl3:f3 \n d13 d13 GRAD2:gp2 ;1.0m, 4G/cm d16 (H1_90 ph2):f1 d13 TAUB GRAD3:gp3 ;700u, 40G/cm d16 (H1_90*0.231 ph1):f1 TAUW (H1_90*0.692 ph1):f1 TAUW (H1_90*1.462 ph1):f1 TAUW1 (N15_180 ph0):f2 TAUW1 (H1_90*1.462 ph3):f1 TAUW (H1_90*0.692 ph3):f1 TAUW (H1_90*0.231 ph3):f1 d13 GRAD3:gp3 ;700u, 40G/cm d16 pl12:f2 TAUB d6 setnmr0^34 go=2 ph31 cpd2:f2 # 226 "/u/exp/stan/nmr/lists/pp/fhsqc.s" d11 do:f2 wr #0 if #0 zd d13 setnmr2^0 d14 ip11 lo to 3 times 2 d14 id0 d14 ip31 d14 ip31 lo to 4 times l4 exit ph0=0 ph1=1 ph2=2 ph3=3 ph11=0 2 ph12=0 0 2 2 ph31=0 2 2 0