#include "bits.nt"

;ipap-ct-hsqc.gk
;Georg Kontaxis and Ad Bax
;Submitted J. Biomol. NMR, Feb. 2001.

;bodenhausen-ruben  constant time in t1
;constant time tuned to 1/Jcc
;put 13C carrier at 20 ppm, use high power pl3/pl4,
;and use hsec.3 at 43 ppm 

;pulses
;p1 = 90 high power 1H @pl1
;p2 = 90 selective 1H for WATERGATE using sinc1.0 (1ms at 800 MHz)
;p3 = 90 high power 13C @pl3
;p4*2 = 180 low power 13C null at CO (p4=17.8u 800 MHz) @pl4
;p15 = 13C adiabatic inversion pulse using hsec.3 (375u at 800MHz)
;p16 = 180 CO using sinc1.0 (112us 800MHz)
;p31 = low power dec on 15N for WALTZ16 dec (p90=200u)
;p29 = low power dec on 13C for GARP dec during acquisition (p90=90u)
"p11=p1*2.3" ; 207 high power 1H @pl1 for composite 1H inversion

;power levels
;pl1 1H high power
;pl2 120dB to preset shaped pulses on 1H channel
;pl3 13C high power
;pl4 13C power level for semi selective 180
;pl6 120dB to preset shaped pulses on 13C channel
;pl31 15N power for cpd
;pl30 13C power for cpd

;timing compensation delays
"d26=p3-p1"
"d25=0.5*d26"
"d27=0.5*p15-p1"
"d28=p1*2.15+3u-p4"

;disk I/O
"d11=50m"
"d12=0.5m"

;INEPT delays
"d2=1.8m-p21-100u"       ;forward INEPT     
"d4=1.8m-p2-p22-100u"    ;reverse INEPT

;incremented delays for 13C t1 evolution
;set for 0 linear phase correction in F1
"d14=14m"
"d20=10u"
"d21=10u+10u+p16+d14+p3*1.27"

;l3 number of t1 increments
;increments for evolution delays
;in21=d21/l3, in20=in21
;13C sw = 1/(in20+in21)

;JCH evolution 'IPAP' delay
"d22=2u"

;increment for 'IPAP' delay
;in22=666u (0.5/(6J)) assuming JCH=125 Hz for methyl groups
;2*d22 will be set to 0,1/6J,1/3J,1/2J in turn for each t1 incremnt

;gradients
;gradient Pulses cannot be hardwired, set them by hand
;all gradients are applied with a sinc shape
;"p18=4.0m"  ; 30% xy
;"p19=3.5m"  ; 50% x
;"p20=3.0m"  ; 50% y
;"p21=1.0m"  ;-20% z
;"p22=0.5m"  ; 30% z
;"p28=3.0m"  ; 40% z

;compiler flags
;CARBON: if undefined, only the first t1 increment is acquired: for calibration
;IPAP:   if undefined, only regular 1H coupled 13C CT-HSQC in acquired

#define CARBON          
#define IPAP

;------------start actual sequence code ---------------

     1m RESET
1    ze 
     1m
2    d11 do:C1 do:N
3    d12*3
4    d12*3
5    10u pl1:H
     10u pl3:C1
     10u LOCK_ON
     d1 pl31:N
     10u LOCK_OFF
;---------------- start sequence ------------------------
     (p3 ph5):C1
     p18:gp18           ;saturate 13C magnetization
     4m
;---------------- INEPT H(aliph) --> C(aliph)------------
     (p1 ph0):H
     100u
     p21:gp21
     d2
     (d26 p1*2 ph0):H (p3*2 ph1):C1
     100u
     p21:gp21
     d2  
     (p1 ph11):H
     2u
     p20:gp20           ; strong gradient, purge 2HzCz state
     2m
;----------------- end H to C INEPT ---------------------
;----------------- now transverse on C ------------------
     (p3 ph12):C1
;----------------- IPAP selection evolve JCH during d22*2
     d22 pl4:C1   ;         ;13C 180/1H 180(composite)
     (p1 ph0 3u p11 ph1 3u p1 ph0):H (d28 p4*2 ph0):C1
     d22 pl3:C1
;---------------- z-filter -----------------------------
     (p3 ph13):C1
     100u
     p28:gp28              ; strong gradient for z-filter
     300u
     (p3 ph2):C1
;----------------- start CT evolution on carbon (t1) -----
     5u cpd2:N             ; cpd 15N during t1
     d20 pl6:C2
     (p16:sp1 ph0):C2      ; C' refocussing
     d14
     5u pl6:C1
     (p15:sp3 ph0):C1      ; C(aliph) refocussing hsec.3
     5u                    ; center t1 evolution
     d21
     5u pl6:C1
     (p15:sp3 ph0):C1      ; compensation for hsec.3 pulse
     5u pl3:C1
     5u do:N
;----------------- end CT evolution on carbon -----------
;----------------- INEPT C --> H ------------------------
     (p3 ph3):C1
     p19:gp19              ; strong gradient, purge 2HzCz state
     (d25 p1 ph0):H 
     100u
     p22:gp22              ; WG gradient
     d4 pl2:H
     (p2:sp0 ph14):H       ; WG soft 1H 90
     2u pl1:H
     (d26 p1*2 ph4):H (p3*2 ph5):C1    ;water gate for H2O suppression
     2u pl2:H
     (p2:sp0 ph14):H       ; WG soft 1H 90
     100u 
     p22:gp22              ; WG gradient
     d4 pl30:C1
     go=2 ph31 cpd4:C1
     5u do:C1
     d11 wr #0 if #0 zd
#ifdef CARBON
     1u ip2
     lo to 3 times 2       ;STATES-TPPI
#endif
#ifdef IPAP
0.1m id22                  ;increment IPAP delay by 0.5/6J
0.1m ip13                  ;increment phase of IPAP pulse
    lo to 3 times 4        ;need 4 IPAP experiments for CH3 sepapration
#endif
#ifdef CARBON
     1u ip31
     1u ip31
d12 rd22                   ;reset IPAP delay
d12 id20                   ;CT 13C evolution
d12 dd21                   ;CT 13C evolution
lo to 4 times l3           ;l3 .. number of t1 increments
#endif
d12 LOCK_ON
d12 do:N
d12 do:C1
1m LOCK_ON
exit 
  
ph0=0 
ph1=1
ph11=1 1 1 1 3 3 3 3
ph12=0
ph13=0
ph2=0 2 
ph3=0 0 2 2
ph4=0  
ph14=2
ph5=0 
ph6=0
ph31=0 2 2 0 2 0 0 2