# 1 "/xwin3.5/exp/stan/nmr/lists/pp/brct3dj.gc" ;#include # 1 "/xwin3.5/exp/stan/nmr/lists/pp/bits_750.gc" 1 ;bits.gc - include file for Gradient Spectroscopy ;avance-version define list EA= # 2 "/xwin3.5/exp/stan/nmr/lists/pp/brct3dj.gc" 2 ; NOTE !!! ; uncomment use bits_750.gc above only for the 750!!! ; NOTE !!! set ds to be (2n+1)*ns !!! (i.e. odd multiple of ns) ;DS = (2n+1)*NS (cannot be 0!) ;#define PULSECHECK ; used to meas. ch RDCs ;3D version, modulated in 2d dimension by JCH; needs REAL FT in F2 ;bodenhausen-ruben constant time in t1 ;constant time tuned to 1/Jcc , modified for hsec refocusing pulse (AB 11/97) ;uses extra 80 W amplifier for dlo: ;GV & ABX 14-1-91 JMR, in press ; bodenrubenct.gv ;in19=in23=in16=in22=730u ;ysw=1/(in20+in21)=1/176u ;zsw=sw(J)=1/(in22+in16)=1/1460 (intensity is J-modulated in 20 real planes) ;l3 max = (d21/in21)+1, l5=1 ;p1 = high power 1H ;p18 = low power 1H @pl2 (turned off, pl2=120dB) ;o2p=56ppm for CAHA ;p3 = high power 13C @pl3 ;p13 = p3*2 only for pulsecheck ;p6 spnam1 hsec.3 @ sp1 (~-2dB; p180=500us@600 Mhz), pl16=120dB ;p16 = 180CO spnam2=fasinc.256 @sp2, spoffs2=121ppm, pl17=120dB ;pcpd3 low power dec on 15N (p90=230u) @pl30 cpdprg3 waltz16 ;pcpd2 low power dec on 13C (p90=90u) @pl31 cpdprg2 garp ;#ifdef PULSECHECK ;"p13=p3*2" ; 180 degree, zero signal ;#else ;"p13=p3" ; 90 degree ;#endif ; NOTE gradfile brct3djz.r, cnst20=80, cnst21=-80 ;defining all of the gradients to be used "d26=p3-p1" "d25=0.5*d26" "d2=1.3m" "d11=50m" "d12=1m" "d15=p16-p1*2" "d19=5u" "d22=in22*10-p21-5u-p16" "d20=10u" "d21=14.005m" ;Gradient Pulses "p20=3.5m" "p21=3.975m" ; optimize length for max signal "p22=0.7m" "p23=0.3m" "p24=4.0m" "d23=d21-d20-p16-d19-p21+p3*1.26" "d16= d21 + p3*1.26 - in22*10 -p1*2 +5u" "d24=d2-p22" "d27=d2-p23" 1m setnmr2^0 setnmr0^34 setnmr8^4 1 ze 1m pl2:f1 1m ru5 (p18 ph0):f1 1m ru1 2 d11 do:f2 do:f3 3 d12*3 4 d12*3 5 10u pl1:f1 10u pl3:f2 10u setnmr2^0 setnmr0^34 d1 pl30:f3 10u setnmr2|0 setnmr0|34 (p3 ph5):f2 5u p24:ngrad:c34 2m (p1 ph0):f1 d2 (d26 p1*2 ph0):f1 (p3*2 ph1):f2 d2 (p1 ph11):f1 5u p20:ngrad:c34 ;need huge gradient 1m if "l1 == 1" goto 10 (p3 ph2):f2 goto 12 10 (p3 ph12):f2 ;start CT 12 5u 5u pl16:f2 5u (p6:sp1 ph0):f2 ;Hsec compensation refoc. pulse 10u 5u pl17:f2 if "l5 == 11" goto 20 d20 cpd3:f3 (d19 p1*2 ph0 d15):f1 (p16:sp2 ph0 d19):f2 5u p21:ngrad:c34 d23 pl16:f2 goto 30 20 d20 cpd3:f3 (p16:sp2 ph0):f2 5u p21:ngrad:c34 d22 (p1*2 ph0):f1 d16 pl16:f2 30 5u (p6:sp1 ph13):f2 8u d21 pl3:f2 5u do:f3 ;end CT ; (d25 p1 ph0):f1 (p13 ph3):f2 (d25 p1 ph0):f1 (p3 ph3):f2 5u p22:ngrad:c34 d24 (d26 p1*2 ph4):f1 (p3*2 ph5):f2 5u p23:ngrad:c34 d27 pl31:f2 go=2 ph31 cpd2:f2 5u iu1 d11 do:f2 wr #0 if #0 zd lo to 3 times 2 d12 ru1 d12 id20 d12 dd21 lo to 4 times l3 10u rd20 10u rd21 if "l5 == 11" goto 88 10u iu5 10u id19 10u dd23 goto 99 88 10u id22 10u dd16 99 1m lo to 5 times 10 ; change back to 10 !!! d12 setnmr2^0 setnmr0^34 d12 do:f3 d12 do:f2 exit ph0=0 ph1=1 ph11=1 3 ph2=0 0 1 1 2 2 3 3 ph12=0 0 3 3 2 2 1 1 ph3=0 ph4=0 ph5=0 ph6=0 ; adjust for power level dl1 180 pulse ;ph13=(360) 1 ph13=(360) 0 ph31=0 2 1 3 2 0 3 1