;csachsoft3.mh ;recouple CSA by 360 SUPER pulses( w1=12.12wr) with 15N CW dec ;remove 13C-13C homonuclear coupling during CSA recoupling ;Dante 180 on on-res Ca, hard 180 on all spins ;thus selectively invert CO and Cb, but not Ca ;add dummy t1 slices to increase w1 spectral width ;Hong M, Yao XL.J. Magn. Reson., volume 160, 114, 2003 ;p1: 13C hard 90 pulse for z-filter ;p2: 13C 180 TOSS and hard 180 ;p3: 1H 90 excitation ;p22: 13C SUPER, t360=0.0825*tr ;p8: 1H TPPM ;p15: CP contact ;p5: Dante soft 180 fraction ;d1: recycle delay ;d6: TOSS gamma integral ;in6: TOSS increment = tr/L5 ;l0: Dante loop/2-2 ;l4: t1 loop ;l5: TOSS loop = 4 or 2 ;l20: TPPM loop ;l31: spinning speed ;pl1: 13C CP power ;pl2: 1H excitation power ;pl3: 1H CP power ;pl4: 13C strong 180 pulse ;pl12: 1H dec. power during t2 ;pl22: 1H dec. power outside 13C rec. ;pl14: 15N dec. power ;pl23: 1H dec. power during 13C rec. ;pl21: 13C SUPER power = 12.12 wr ;pl25: 13C dante power ;pl11: 13C hard power define loopcounter td1qrt "td1qrt=td1/4" ;for States cosine/sine define loopcounter td1half "td1half=td1/2" ;for States cosine/sine "l20=aq/(p8*2)" "d25=(1s/l31)*0.1226-(p2/2)" ;TOSS "d26=(1s/l31)*0.0773-p2" "d27=(1s/l31)*0.2236-p2" "d28=(1s/l31)*1.0433-p2" "d29=(1s/l31)*0.7744-(p2/2)" "p22=(1s/l31)/(2*12.12)" ;13C SUPER soft pulse "d21=(1s/l31)*0.2464-1u" ;SUPER delay "d22=(0.5s/l31)-4*p22-d21-2u" ;SUPER delay define pulse p5d2 "p5d2=p5/2" "d5=(2*l0+2)*(1s/l31)" "d14=1s/l31-p5/2" ;nearly tr "d15=1s/l31-p5" ;nearly tr "d16=1s/l31-p5/2-p2/2" ;nearly tr 1 ze 2 d1 do:f2 ;recycle delay 1m rpp12 1m rpp16 1m rpp22 1m rpp26 10u pl1:f1 10u pl2:f2 10u pl14:f3 1u:f2 ph1 1u:f1 ph2 3 p3:f2 ph1 1u pl3:f2 (p15 ph2):f1 (p15 ph10):f2 0.5u cw:f2 pl22:f2 0.5u cw:f3 pl14:f3 ;------------- csa evolution ---------------- 5 d21 pl21:f1 ;pl21: 13C super power 1u pl23:f2 ;stronger 1H dec p22:f1 ph12^ ;t360=0.0825*tr p22:f1 ph12^ p22:f1 ph12^ p22:f1 ph12^ 1u pl22:f2 ;weaker 1H dec d22 d22 1u pl23:f2 ;stronger 1H dec p22:f1 ph16^ ;t360=0.0825*tr p22:f1 ph16^ p22:f1 ph16^ p22:f1 ph16^ 1u pl22:f2 ;weaker 1H dec d21 lo to 5 times l4 ;t1 loop ;------------- double inversion: dante+hard---------------- 1u pl25:f1 ;pl25: dante power p5d2:f1 ph9 ;soft 90 pulse = (l0+1.5)p5 d14 6 p5:f1 ph9 ;soft d15 lo to 6 times l0 p5:f1 ph9 ;soft d16 pl14:f1 p2:f1 ph11 ;hard 180 d16 pl25:f1 p5:f1 ph9 ;soft 7 d15 p5:f1 ph9 ;soft lo to 7 times l0 d14 p5d2:f1 ph9 ;soft 1u ;total ntr=(l0+2)*2 ;------------- csa evolution contd. ---------------- 8 d21 pl21:f1 ;pl21: 13C super power 1u pl23:f2 ;stronger 1H dec p22:f1 ph22^ ;t360=0.0825*tr p22:f1 ph22^ p22:f1 ph22^ p22:f1 ph22^ 1u pl22:f2 ;weaker 1H dec d22 d22 1u pl23:f2 ;stronger 1H dec p22:f1 ph26^ ;t360=0.0825*tr p22:f1 ph26^ p22:f1 ph26^ p22:f1 ph26^ 1u pl22:f2 ;weaker 1H dec d21 lo to 8 times l4 0.5u pl11:f1 9 p1:f1 ph7 ;store for z-filter 1u do:f3 d6 do:f2 ;z-filter & gamma integral 1u cw:f2 pl12:f2 p1:f1 ph8 ;read out 10 d25 p2:f1 ph3 ;180 13C #1 d26 p2:f1 ph4 ;180 13C #2 d27 p2:f1 ph5 ;180 13C #3 d28 p2:f1 ph6 ;180 13C #4 d29 pl12:f2 2u:f1 ph0 2u adc ph31 12 p8:f2 ph20 ;d2 < 180 degree, ph10= 25 degree p8:f2 ph21 lo to 12 times l20 aq do:f2 d5 rcyc=2 id6 ;gamma-average for clean TOSS lo to 2 times l5 14 dd6 ;decrement d6 lo to 14 times l5 ;2D 18 100m wr #0 if #0 zd ip7 ;alternate sine & cosine (same t1) lo to 2 times 2 iu4 ;increment l4 (t1) ip7 ip7 lo to 2 times td1half exit ph0= 0 ph1= -y +y ;1H 90 ph10= +x ;1H CP ph2= +x +x +y +y -x -x -y -y ;13C CP ph7= +y +y -x -x -y -y +x +x ;z-filter ph8= -y -y +x +x +y +y -x -x ph9= +y +y -x -x -y -y +x +x ;Dante 180, inverting +y +y -x -x -y -y +x +x +x +x +y +y -x -x -y -y ;exorcycle for off-resonance, non-inverting +x +x +y +y -x -x -y -y -y -y +x +x +y +y -x -x -y -y +x +x +y +y -x -x -x -x -y -y +x +x +y +y -x -x -y -y +x +x +y +y ph11= -y -y +x +x +y +y -x -x ;hard 180, opposite DANTE -y -y +x +x +y +y -x -x -x -x -y -y +x +x +y +y ;exorcycle for off-resonance -x -x -y -y +x +x +y +y +y +y -x -x -y -y +x +x +y +y -x -x -y -y +x +x +x +x +y +y -x -x -y -y +x +x +y +y -x -x -y -y ph3= +y +y -x -x -y -y +x +x ;TOSS ph4= -y -y +x +x +y +y -x -x ph5= +y +y -x -x -y -y +x +x -y -y +x +x +y +y -x -x ph6= -x -x +y +y +x +x -y -y +x +x -y -y -x -x +y +y ph12= +x +x -x -x -x +x +x -x +y +y -y -y -y +y +y -y -x -x +x +x +x -x -x +x -y -y +y +y +y -y -y +y +x +x -x -x +x -x -x +x +y +y -y -y +y -y -y +y -x -x +x +x -x +x +x -x -y -y +y +y -y +y +y -y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y +x -x -x +x +y +y -y -y -x -x +x +x +y -y -y +y -x +x +x -x -y -y +y +y +x +x -x -x -y +y +y -y -y +y +y -y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y +x -x -x +x +y +y -y -y -x -x +x +x +y -y -y +y -x +x +x -x -y -y +y +y +x +x -x -x ;192 steps, 48 tr ph22= +x +x -x -x -x +x +x -x +y +y -y -y -y +y +y -y -x -x +x +x +x -x -x +x -y -y +y +y +y -y -y +y +x +x -x -x +x -x -x +x +y +y -y -y +y -y -y +y -x -x +x +x -x +x +x -x -y -y +y +y -y +y +y -y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y +x -x -x +x +y +y -y -y -x -x +x +x +y -y -y +y -x +x +x -x -y -y +y +y +x +x -x -x -y +y +y -y -y +y +y -y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y +x -x -x +x +y +y -y -y -x -x +x +x +y -y -y +y -x +x +x -x -y -y +y +y +x +x -x -x ;192 steps, 48 tr ph16= -x -x +x +x +x -x -x +x -y -y +y +y +y -y -y +y +x +x -x -x -x +x +x -x +y +y -y -y -y +y +y -y -x -x +x +x -x +x +x -x -y -y +y +y -y +y +y -y +x +x -x -x +x -x -x +x +y +y -y -y +y -y -y +y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y -x +x +x -x -y -y +y +y +x +x -x -x -y +y +y -y +x -x -x +x +y +y -y -y -x -x +x +x +y -y -y +y +y -y -y +y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y -x +x +x -x -y -y +y +y +x +x -x -x -y +y +y -y +x -x -x +x +y +y -y -y -x -x +x +x ;192 steps, 48 tr ph26= -x -x +x +x +x -x -x +x -y -y +y +y +y -y -y +y +x +x -x -x -x +x +x -x +y +y -y -y -y +y +y -y -x -x +x +x -x +x +x -x -y -y +y +y -y +y +y -y +x +x -x -x +x -x -x +x +y +y -y -y +y -y -y +y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y -x +x +x -x -y -y +y +y +x +x -x -x -y +y +y -y +x -x -x +x +y +y -y -y -x -x +x +x +y -y -y +y +y -y -y +y +x -x -x +x -y -y +y +y +x +x -x -x +y -y -y +y -x +x +x -x +y +y -y -y -x -x +x +x -y +y +y -y -x +x +x -x -y -y +y +y +x +x -x -x -y +y +y -y +x -x -x +x +y +y -y -y -x -x +x +x ;192 steps, 48 tr ph20= (360) 10 ;TPPM first pulse ph21= (360) 0 ;TPPM second pulse ph31= 0 2 1 3 2 0 3 1 ;RLS