# 1 "/xwin3.5/exp/stan/nmr/lists/pp/n15noefhsqc.s" ;n15noefhsqc.fa ;3D 15N-NOESY-FHSQC, with optional C13 decoupling and SEDUCE-1 decoupling ; This program uses the gp gradient syntax, and is CryoProbe safe. ;Talluri and Wagner, J. Magn. Reson. B 112, 200-205 (1996) ;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: n15noefhsqc.fa,v 1.9 2004/07/30 20:05:52 abild Exp abild $ ; ; 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 ; ;d1 relaxation delay=d1+0.1s ;p1 90 dgr H1 at pl1 ;pl1: power level for p1 (H1) ;p2 90 dgr N15 at pl2 ;pl2: power level for p2 (N15) ;p3 90 dgr C13 at pl3 ;pl3: power level for p3 (for 90 dgr C13 pulses) ;d21: 1/(2*dNu), dNu=(ChSh(NH)-ChSh(H2O))*bf1, 300us at 500MHz ;d8: mixing time ; ;N15 Waltz-16 decoupling: ;PCPD: 90 N15 pulse for waltz-16 decoupling ;pl12: power level for N15 waltz-16 decoupling ;cpdprg: cpd program for N15 waltz-16 decoupling, waltz16 ; ;C' Compensated SEDUCE1 decoupling of C': ;PCPD: 90 shaped C13 pulse for compensated SEDUCE1 decoupling ;cpdprg: cpd program for C13 compensated SEDUCE1 decoupling, waltz16sp3 ;spnam3: seduce1c6 (or seduce1c5), shape file for C13 compensated SEDUCE1 ;sp3: power level for C13 compensated SEDUCE1 decoupling ;spoffs3: 0 ; ;H1 evolution: ;in10: SW(H1)=1/2*in10 ;l6: complex points in H1 dimension ;cnst10: set to 0 (preferably) or 1 to make d10 the smallest possible ; positive delay (use ASED to check). ; Phase correction: add 45 dgr. to ph0 calculated from cnst10 (d10): ; cnst10=0: ph0=90+45, ph1=-180 ; cnst10=1: ph0=270+45, ph1=-540 (w/o LP) ; ;N15 evolution: ;in0: SW(N15)=1/2*in0 ;l4: complex points in N15 dimension ;cnst0: set to 0 (preferably) or 1 to make d0 the smallest possible ; positive delay. cnst0=0 gives (90,-180) phase distortion in F2. ; cnst0=1 gives (270,-540) phase distortion in F2 (use LP to correct) ; ;ns=8, 16, ..., ds=8, 16, ... ; ;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 or more of the following options to tailor this pulse program ; to your specific needs. ; ;#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 :-) ; ;Sanity checks ; ; ; define delay TAU define delay TAU1 define delay TAU3 define delay TAUM define delay TAUW define delay TAUW1 define delay CEN_HN1 define delay CEN_HC1 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 pulse GRAD1 define pulse GRAD2 define pulse GRAD3 define pulse GRAD4 "d11=100m" ;disk i/o "d13=5u" ;a short delay "d14=60u" ;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" ; "TAU=2.25m" "TAU1=TAU-GRAD1-d16-d13" "TAUM=d8" "TAUW=d21" "TAUW1=(TAUW/2)-N15_90" "TAU3=TAU-TAUW*2.5-H1_90*2.385-GRAD3-d16-d13" "CEN_HN1=N15_90-H1_90" "C13_90=p3" "C13_180=C13_90*2" "d12=10u" ;power switching etc. "d0=((cnst0*2+1)*in0-N15_90*1.273-C13_90*4-d13*10-d12*4)/2" "d10=((cnst10*2+1)*in10-(H1_90*1.273+N15_180+C13_90*4+d13*3))/2" ; end ; uncomment for use on CryoProbe (no sim. N15,C13 pulses) ; end ; uncomment for C13 decoupling ; end ; comment out for 2D w/o H1 evolution "d31=2*(TAU1+TAU3+2*TAUW+TAUW1+GRAD1+GRAD2+GRAD3)+TAUM+GRAD4" # 1 "/xwin3.5/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance.incl ; ;avance-version (03/02/17) ;$Id: Avance1.incl,v 1.7.2.3 2003/02/25 14:48:47 ber Exp $ # 206 "/xwin3.5/exp/stan/nmr/lists/pp/n15noefhsqc.s" 2 # 1 "/xwin3.5/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad.incl - include file for Gradient Spectroscopy ; ;avance-version (02/05/31) define list EA= ;$Id: Grad1.incl,v 1.7 2002/06/12 09:04:22 ber Exp $ # 207 "/xwin3.5/exp/stan/nmr/lists/pp/n15noefhsqc.s" 2 1 ze 2 d13 d14 do:f3 d11 setnmr2^0 3 d14 d14 d14 4 d14 d14 d14 5 d14 d14 d14 6 d13 # 1 "/xwin3.5/exp/stan/nmr/lists/pp/faexptcorr.incl" 1 ; This is here to trick "expt" to calculate the experiment time ; correctly. if "1 == 1" goto nod31 d31 nod31, d13 # 224 "/xwin3.5/exp/stan/nmr/lists/pp/n15noefhsqc.s" 2 d1 pl1:f1 pl2:f3 d12 pl3:f2 d13 setnmr2|0 d13 setnmr0|34|32|33 (N15_90 ph0):f3 d13 GRAD4:gp4 ;700u, 15G/cm, x d16 (H1_90 ph11):f1 d10 (C13_90 ph0 d13 C13_180 ph1 d13 C13_90 ph0):f2 (d13 N15_180 ph12):f3 d10 (H1_90 ph13):f1 TAUM (H1_90 ph0):f1 d13 GRAD1:gp1 ;500us, 4G/cm d16 TAU1 (CEN_HN1 H1_180 ph0):f1 (N15_180 ph0):f3 TAU1 d13 GRAD1:gp1 ;500us, 4G/cm d16 (H1_90*55 ph0):f1 d13 (H1_90 ph1):f1 d13 GRAD2:gp2 ;1.0m, 4G/cm d16 (N15_90 ph15):f3 d13 \n d12 pl0:f2 \n d13 cpds3:f2 d0 d13 do:f2 \n d12 pl3:f2 \n d13 (H1_180 ph12):f1 (C13_90 ph0 d13 C13_180 ph1 d13 C13_90 ph0):f2 d13 \n d12 pl0:f2 \n d13 cpds3:f2 d0 d13 do:f2 \n d12 pl3:f2 \n d13 (N15_90 ph16):f3 d13 GRAD2:gp2 ;1.0m, 4G/cm d16 (H1_90 ph2):f1 d13 TAU3 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):f3 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:f3 TAU3 d6 setnmr0^34^32^33 go=2 ph31 cpd2:f3 d11 do:f3 wr #0 if #0 zd d13 setnmr2^0 d14 ip15 lo to 3 times 2 d14 id0 d14 ip31 d14 ip31 lo to 4 times l4 d14 rd0 d14 ip11 d14 ip11 lo to 5 times 2 d14 id10 d14 ip31 d14 ip31 lo to 6 times l6 exit ph0=0 ph1=1 ph2=2 ph3=3 ph11=(8) 7 ph12=0 0 0 0 2 2 2 2 ph13=0 2 ph15=0 0 2 2 ph16=0 0 0 0 0 0 0 0 ; 2 2 2 2 2 2 2 2 ph18=0 ph31=0 2 2 0 0 2 2 0 ; 2 0 0 2 2 0 0 2