# 1 "/xwin3.5/exp/stan/nmr/lists/pp/c13noehsqc.s" ;c13noehsqc.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: c13noehsqc.fa,v 1.8 2002/01/08 22:51:25 abild Exp abild $ ; ; 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 pl3 ;p25 90 2H pulse at pl15 (optional) ;d8 mixing time ;pl10: 10kHz H1 field for purge pulses ;pl0 120dB ; ;N15 Waltz-16 PCPD at pl12, cpdprg2 (optional) ;C13 GARP decoupling using CPDPRG3 and PCPD at pl13 ;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 ; 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 (180,-360) phase distortion ;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 (180,-360) phase distortion in F1. ; An additional -45 dgr phase correction is needed. ; l6 complex points ; ;ns=16,32,..., ds=16,32,... ; ;Recommendations for triple-axis (single-axis) gradients: ;gpz1: 22% (22%) ;gpz2: 22% (22%) ;gpz3: 29% (29%) ;gpz4: 24% (24%) ;gpz5: 44% (44%) ;gpz6: -26% (-26%) ;gpx7: 27% adjust for magic angle (0%) ;gpz7: 15% (30%) ;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 H2_DEC ; uncomment to enable H2 decoupling ; ; 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 "p10=8m" "p11=5m" "d7=C13_90*2+d13" "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=(cnst10*2*in10-H1_90*1.273-C13_90*4-d13*2)/2" "d31=2*(TAUA4+TAUA7+GRAD4+GRAD7)+GRAD1+GRAD2+GRAD3+GRAD5+GRAD6" "d0=(cnst0*2*in0-p3*1.273-p1*2-d13*4-d12*2)/2" # 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 $ # 168 "/xwin3.5/exp/stan/nmr/lists/pp/c13noehsqc.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 $ # 169 "/xwin3.5/exp/stan/nmr/lists/pp/c13noehsqc.s" 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 # 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 # 187 "/xwin3.5/exp/stan/nmr/lists/pp/c13noehsqc.s" 2 d12 pl10:f1 (p10 ph0 d13 p11 ph1):f1 d13 d1 pl1:f1 pl3:f2 d13 setnmr2|0 d13 setnmr0|34|32|33 d13 setnmr8|4 (C13_90 ph0):f2 d13 GRAD1:gp1 ;400u, 15G/cm d16 d12 pl12:f3 d13 cpds2:f3 ; Begin Proton evolution (H1_90 ph13):f1 d10 (C13_90 ph0 d13 C13_180 ph1 d13 C13_90 ph0):f2 d10 (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 (CEN_HC1 H1_180 ph0):f1 (C13_180 ph0):f2 d13 GRAD4:gp4 ;400u, 16G/cm TAUA4 (H1_90*55 ph0):f1 d13 (H1_90 ph1):f1 d13 GRAD5:gp5 ;4m, 30G/cm d16 d13 ; Begin Carbon evolution (C13_90 ph14):f2 d13 \n d12 pl0:f2 \n d13 cpds4:f2 d0 (H1_180 ph0):f1 d0 d13 do:f2 \n d12 pl3:f2 \n d13 (C13_90 ph0):f2 ; End Carbon evolution d13 d13 GRAD6:gp6 ;3m, -18G/cm d16 (H1_90 ph15):f1 d13 d7 GRAD7:gp7 ;400u, 20G/cm TAUA7 (CEN_HC1 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 pl13):f2 (H1_90 ph15):f1 go=2 ph31 cpds3: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={0}*4 {1}*4 {2}*4 {3}*4 ph16=0 0 2 2 ph31=0 2 2 0 3 1 1 3 2 0 0 2 1 3 3 1