# 1 "/u/exp/stan/nmr/lists/pp/no12chsqc13c.bv" ;no12chsqc13c.bv ;3D (1H,13C,1H) NOESY-HSQC with optional 15N, 13C' and 2H decoupling ;13C/15N filtered in F1, 13C edited in F3 ;Stuart, AC et al, JACS 121, 5346 (1999) ;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 ;Implemented by B. Volkman Medical College of Wisconsin (bvolkman@mcw.edu) ; ;f1: 1H, f2: 13C, f3: 15N, f4: 2H (channel assignments may be changed below) ;o1p: 4.7ppm ;o2p: 118ppm ;o3p: 72.5ppm ;o4p:: 4.5ppm ; ;d1: relaxation delay=d1+0.1s ;p1 90 H at pl1 ;p3 90 C at pl2 ;p21 90 N at pl3 ;p25 90 2H pulse at pl15 (optional) ;d8 NOE 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 41 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 (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 ; Phasing:(-45,0) ; ;ns=8,16,32,..., ds=8,16,32,... ; ;Recommendations for gradients: ;gpz1: 22% ;gpz2: 22% ;gpz3: 29% ;gpz4: 24% ;gpz5: 44% ;gpz6: -26% ;gpx7: 27% (adjust for magic-angle) ;gpz7: 15% ;gpz12: 18.8% ;gpz13: 43.5% ;gpz14: -25% ;gpz15: 50% ;gpnam1: sine.50 ;gpnam2: sine.100 ;gpnam3: sine.100 ;gpnam4: sine.50 ;gpnam5: sine.100 ;gpnam6: sine.100 ;gpnam7: sine.50 ;gpnam12: sine.50 ;gpnam13: sine.50 ;gpnam14: sine.50 ;gpnam15: 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 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 ; "l4=td1/2" "l6=td2/2" ; define pulse H1_90 define pulse H1_180 define pulse N15_90 define pulse N15_180 define pulse C13_90 define pulse C13_60 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 pulse GRAD12 define pulse GRAD13 define pulse GRAD14 define pulse GRAD15 define delay TAUA4 define delay TAUA7 define delay CEN_HC1 define delay CEN_HC2 define delay TAU define delay TAUA define delay TAUB define delay TAUC define delay ZETA ; "H1_90=p1" "H1_180=H1_90*2" "N15_90=p21" "N15_180=p21*2" "C13_90=p3" "C13_60=p3*2/3" "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=150u" ;gradient recovery "p10=8m" "p11=5m" "GRAD1=400u" "GRAD2=3m" "GRAD3=1.0m" "GRAD4=400u" "GRAD5=4m" "GRAD6=3m" "GRAD7=400u" "GRAD12=450u" "GRAD13=450u" "GRAD14=450u" "GRAD15=450u" "CEN_HC1=C13_90-H1_90" "CEN_HC2=(C13_90-H1_90)*2" "d2=1.785m" ;1/4J "TAU=3.57m-GRAD12-N15_90" ;"TAUA=5.68m" ;--decremented "d20=5.68m-GRAD13-CEN_HC2" ;"TAUB=1.46m" "d21=1.46m-GRAD14-N15_90" ;"TAUC=0.65m" ;--incremented "d19=0.65m-GRAD15-d16-C13_90*2-2u" "ZETA=0.73m-N15_90" ;--incremented w/TAUA "TAUA4=d2-GRAD4-d13" "TAUA7=d2-GRAD7-d13" "d18=d8-GRAD2-GRAD3-C13_90-N15_90-d16*2-d13" "in10=(in19+in20+in21)/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: Avance1.incl,v 1.7.2.3 2003/02/25 14:48:47 ber Exp $ # 200 "/u/exp/stan/nmr/lists/pp/no12chsqc13c.bv" 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: Grad1.incl,v 1.7 2002/06/12 09:04:22 ber Exp $ # 201 "/u/exp/stan/nmr/lists/pp/no12chsqc13c.bv" 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 pl3:f3 d13 setnmr2|0 d13 setnmr0|34|32|33 d13 setnmr8|4 (C13_90 ph0):f2 d13 GRAD1:gp1 ;400u, 15G/cm d16 ; Begin Proton semi-constant time evolution ; and 13C/15N filters (H1_90 ph13):f1 GRAD12:gp12 TAU (N15_90 ph0):f3 (center (H1_90 ph0 2u H1_180 ph1 2u H1_90 ph0):f1 (C13_60 ph0):f2) GRAD13:gp13 d20 (center (H1_90 ph0 2u H1_180 ph1 2u H1_90 ph0):f1 (C13_90 ph0 2u C13_180 ph1 2u C13_90 ph0):f2) GRAD14:gp14 (d21) (ZETA N15_180 ph0):f3 (N15_90 ph12):f3 (d19) (C13_90 ph12 2u C13_90 ph1):f2 GRAD15:gp15 d16 (H1_90 ph0):f1 ; End Proton evolution ; Begin mixing time d18 GRAD2:gp2 ;3ms, 15G/cm d16 (C13_90 ph0):f2 (N15_90 ph0):f3 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_90 ph0 2u C13_180 ph1 2u C13_90 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 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 d13 d12 (center (H1_180 ph0):f1 (C13_90 ph0 2u C13_180 ph1 2u C13_90 ph0):f2) d13 GRAD7:gp7 ;400u, 20G/cm TAUA7 setnmr0^34^32^33 (H1_90 ph15):f1 (C13_90 ph0 d13 C13_90 ph16):f2 d13 d12 pl12:f2 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 id21 d14 dd20 d14 id19 d14 ip31 d14 ip31 lo to 6 times l6 d14 setnmr8^8 exit ph0=0 ph1=1 ph2=2 ph3=3 ph12=0 0 0 0 2 2 2 2 ph13=(8) 1 1 5 5 ph14=0 2 ph15={0}*8 {2}*8 {1}*8 {3}*8 ph16=0 0 2 2 ph31={0 2 2 0}*2 {2 0 0 2}*2 {3 1 1 3}*2 {1 3 3 1}*2