;for uniform labeled sample
;cpd decoupling version
;avance-version (04/09/08)
;   15N detected correlation for double resonance
;
;      F2(Ca, t1) -> F1(N,t2)
;
;on/off resonance 13C pulses using shaped pulses
;phase sensitive (t1)


prosol relations=<triple_c>


#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>

"p2=p1*2"
"p4=p3*2"

"d11=30m"
"d12=20u"

"d21=11.3m" ;1/8JaN  delay for Ca evolution can be determined by paropt
"d22=14.3m" ;1/(2*JAB)
;"d23=11.3m" ;1/8JaN  delay for N evolution can be determined by paropt

;definition for constant time for t1
"d31=d22/2-p12/2" ;delay 1 for Ca constant time
"d30=d22-d21-p1" ;delay 2 for Ca constant time
"d29=d21-d22/2-p12/2-p1" ;delay 3 for Ca constant time
"d28=d22/2-p12/2" ;delay 4 for Ca constant time


;definition for nitrogen transverse delays
"d27=d23/2-p12/2" ;delay for N reforcus
"d26=d27-d12-4u"
 "d14 = 1/(4*cnst4)";
 " d13 = d14 - 0.5*p12" ; = 1/2Jch
  "d25 = d28 - d13"

	"in31=in0/4"
	"in30=0"
	"in29=in0/4"
;	"in28=in0/4"
	"in25=in0/4"

;cnst21: CO chemical shift (offset, in ppm)
;cnst22: Calpha chemical shift (offset, in ppm)

"d4=1/(4*cnst4)"
"d2=d4-d3";0.529*p6";10u";d4-0.5*p7-1000u";;0.53*p6";-0.5*p7

"spoff23=0"
"spoff24=0"
"spoff25=0"
"spoff26=bf3*((cnst21-cnst22)/1000000)"
"spoff15=bf3*((cnst21-cnst22)/2000000)"


1 ze


;f1:N, f2:H, f3:C, f4:D

  d11 pl16:f3
  d11 LOCKDEC_ON
  d11 pl17:f4
2 d11 do:f2 do:f3 do:f4
3 d11 H2_LOCK
  9m LOCKH_OFF
  d1 pl1:f1 pl2:f2 pl0:f3
  50u UNBLKGRAD
  d12 H2_PULSE
  5u
  d12 fq1:f4  ;D-alpha
  d12 ;cpd4:f4 ;cpd2:f2
  5u

  (p1 ph1):f1
  (p12:sp24 ph1):f3
  p16:gp1
  50m

  ;***** 1H--Ca INEPT****

  (p3 ph4):f2
  d4
  (center (p4 ph1):f2 (p12:sp24 ph1):f3 ); pi on 1H and Ca, spam7 RSNOB.1000
  d4
  (p3 ph2):f2
 ;*****HzCz****


  ;**** Ca --> N detection******;
   (p11:sp23 ph3:r):f3 ; a90 Q5	;Ca indirect_____________
   d31
  (center (p12:sp26 ph1):f3 (p4 ph1):f2) ;CO180 Q3; switch to selH pulse
   d31
  (p12:sp24 ph1):f3 ; Ca180 Q3
   d30
  (p2 ph1):f1 ; N180
  d29
  (p12:sp26 ph8):f3
  d13; = 1/2Jch
 (p4 ph1):f2
 d25 ;= d28 - d13
  (p11:sp25 ph8):f3 ; a90tr Q5tr	;________________________

  4u do:f4 do:f2
  5u
  p16:gp1
  d16 fq1:f4  ;D-N
  ;20u cpd2:f2 cpd4:f4
  20u pl12:f2
  20u cpd2:f2 cpd4:f4
  5u

  (p1 ph1):f1			;Ny i->i+/-1 transfer____
  d27
  (p12:sp26 ph1):f3
  d27
  (center (p2 ph1):f1 (p12:sp24 ph1):f3)
  d27
  (p12:sp26 ph1):f3
  d26
  d12 pl16:f3 ;pl12:f2

  4u BLKGRAMP
  go=2 ph31 cpd3:f3

  d11 do:f2 do:f3 do:f4 mc #0 to 2
    ; F1PH(ip3, dd31 & id30 & id29 & id28 & id25)
     F1PH(ip3, dd31 & id30 & id29 & id25)



  d11 do:f2 do:f3 do:f4
  d11 H2_LOCK
  d11 LOCKH_OFF
  d11 LOCKDEC_OFF


exit

ph4=0 2
ph1=0
ph2=1
ph3=0
ph5=0
ph31=0 2 ;ph31 follow ph3
ph8 = 0

;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl12: f2 channel - power level for CPD/BB decoupling
;pl16: f3 channel - power level for CPD/BB decoupling
;sp3: f2 channel - shaped pulse 180 degree (adiabatic)
;sp23: f1 channel - shaped pulse  90 degree  (on resonance)
;sp24: f1 channel - shaped pulse 180 degree  (on resonance)
;sp25: f1 channel - shaped pulse  90 degree  (on resonance)
;                   for time reversed pulse
;sp26: f1 channel - shaped pulse 180 degree  (C=O off resonance)
;sp27: f1 channel - shaped pulse 180 degree  (Ca off resonance)
;sp28: f1 channel - shaped pulse 180 degree  (Ca on resonance)
;p11: f1 channel -  90 degree shaped pulse
;p12: f1 channel - 180 degree shaped pulse
;p14: f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;d0 : incremented delay (F1 in 2D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O                               [30 msec]
;d12: delay for power switching                        [20 usec]
;d21: 11.3m 1/8JaN  delay for Ca evolution can be determined by paropt
;d22: 14.3m 1/(2*JAB)
;d23: 11.3m 1/8JaN  delay for N evolution can be determined by paropt
;o1p: Calpha chemical shift (cnst22)
;in0: 1/(1 * SW(Ca)) =  DW(Ca)
;nd0: 1
;NS: 8 * n
;DS: >= 32
;td1: number of experiments in F1
;FnMODE: States-TPPI (or TPPI) in F1
;cpd2: decoupling according to sequence defined by cpdprg2
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence
;cnst21: CO chemical shift (offset, in ppm)
;cnst22: Calpha chemical shift (offset, in ppm)



;$Id: c_can_mq.2,v 1.1.4.1 2004/11/23 15:08:14 ber Exp $