# 1 "/u/exp/stan/nmr/lists/pp/n15tocfhsqc.fp"
# 1 "/u/exp/stan/nmr/lists/pp/n15tocfhsqc.fp"
;n15tocfhsqc.fa
;3D 15N-TOCSY-FHSQC, with optional C13 decoupling and SEDUCE-1 decoupling
;Talluri and Wagner, J. Magn. Reson. B 112, 200-205 (1996)
;Mori et al., J. Magn. Reson. B 108, 94-98 (1995)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
;  $Id: pulseprogram,v 1.1 2021/02/11 00:16:40 bmrbsvc Exp $
;
;  Disclaimer: This pulse program is provided "as is" for your
;  information. Support for the use of this pulse program is only
;  provided to users of the National Magnetic Resonance Facility
;  at Madison (NMRFAM). Users of this pulse program employ it at
;  their own risk. Neither NMRFAM nor University of Wisconsin-Madison
;  are liable for any physical or other damage incurred during the
;  use of this pulse program.
;
;f1: 1H, f2: 15N, f3: 13C  (channel assignments may be changed below)
;Gradient program: fatocfhsqc
;o1p: 4.7ppm
;o2p: 118ppm
;o3p:: 46ppm
;
;d1: relaxation delay=d1+0.1s
;p1 90 H1 at pl1
;p2 90 N15 at pl2
;p3 90 C13 at pl3 (for 90 C)
;p31 90 H at pl10 for isotropic mixing
;l9 number of super cycles in isotropic mixing
;define the type of isotropic mixing below
;d21: 1/(2*dNu), dNu=Nu(NH)-Nu(H2O)
;N15 Waltz-16 PCPD2 at pl12, cpdprg2
;C'  Compensated SEDUCE1 decoupling of C', using pcpd3 at sp3, 
;    shape seduce1c5/6, offset 0, cpdprg3 waltz16sp3.
;H1 evolution:
;   SW(H)=1/2*in10,
;   l6 complex points,
"l6=td2/2"
;   set cnst10 to 0 (preferably) or 1 to make d10 the smallest possible
;   positive delay (use ASED to check).
;   Phase correction: add 45 dgr. to ph0 calculated from cnst10 (d10):
;      cnst10=0: ph0=90+45, ph1=-180
;      cnst10=1: ph0=270+45, ph1=-540 (w/o LP)
;N15 evolution:
;   SW(N)=1/2*in0,
;   l4 complex points,
"l4=td1/2"
;   initial delay = in0; Phase correction: ph0=90, ph1=-180.
;ns=8, 16, ..., ds=8, 16, ...
;
;Recommendations for gradients:
;p15 500u
;p16 1.0m
;p17 700u
;p18 750u
;p19 1.0m
;gpz5 8%
;gpz6 15%
;gpz7 12%
;gpz8 28%
;gpz9 25%
;#define ONE_D		; uncomment for 1D experiment


;#define C13_LABEL	; uncomment for C13 decoupling
;#define SEDUCE		; uncomment for optional C' SEDUCE-1 decoupling
;Select an isotropic mixing scheme
;#define DIPSI2		;taum = 115.112*p31*l9

;#define DIPSI3		;taum = 217.336*p31*l9
;#define EXPTCORR	; uncomment if you want "expt" to report
			; the correct exp. time (works with XWIN-NMR 2.x)
;
;Define channel assignments:



;
;You shouldn't have to worry about anything beyond this point :-)
;
;Sanity checks
;







;
define delay TAUA
define delay TAUB
define delay TAUW
define delay TAUW1
define delay RCDELAY
define delay TAUM
define delay CEN_HN1
define delay CEN_HC1
define pulse H1_90
define pulse H1_180
define pulse N15_90
define pulse N15_180
define pulse C13_90
define pulse C13_180
"d11=100m"                      ;disk i/o
"d13=5u"                        ;a short delay
"d14=60u"                       ;ip,id etc.
"d16=300u"                      ;gradient recovery
"H1_90=p1"
"H1_180=H1_90*2"
"N15_90=p2"
"N15_180=N15_90*2"
"d6=H1_90"
"TAUA=2.25m-p15-d16-d13"
"TAUW=d21"
"TAUB=2.25m-TAUW*2.5-H1_90*2.385-p17-d16-d13"
"TAUW1=(TAUW/2)-N15_90"
"CEN_HN1=N15_90-H1_90"

















  "d0=(in0-N15_90*1.273-H1_180-d13*2)/2"





    "d10=(in10/2-2u-(H1_90*2/3.14159))"










  "TAUM=172.668*p31*l9"
  "RCDELAY=p31*1.599"














# 1 "/u/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance.incl
;
;version  00/07/27


;switch between high and low stage oh f1 amplifier



;use 2H channel for lock or pulse (lockswitch)



;allow for 2H decoupling (lockswitch)



;turn lock-hold on/off (BSMS)



;switch between 1H or 19F output (f1 amplifier)



;select output for 19F (amplifier)



;homospoil on/off (BSMS)



;for Q-switch probes



;for mixing probe



;gating pulse for RX22, ADC and HPPR




;not active




;$Id: pulseprogram,v 1.1 2021/02/11 00:16:40 bmrbsvc Exp $
# 169 "/u/exp/stan/nmr/lists/pp/n15tocfhsqc.fp" 2

# 1 "/u/exp/stan/nmr/lists/pp/Gradfa.incl" 1
;Gradfa.incl  -  include file for Gradient Spectroscopy
;avance-version
; $Id: pulseprogram,v 1.1 2021/02/11 00:16:40 bmrbsvc Exp $
;


















define list<gradient> EA=<EA>

# 170 "/u/exp/stan/nmr/lists/pp/n15tocfhsqc.fp" 2


1 ze
  TAUM
2 d11 do:f3
  d14
3 d14
  d14
  d14
4 d14
  d14
  d14
5 d14
  d14
  d14
6 d14 setnmr2^0



  d1 pl1:f1 pl3:f3



  d14 setnmr2|0
  (N15_90 ph0):f3
  d13
  p17:gp7   ;700u, 15G/cm
  d16

  (H1_90 ph11):f1
if "d10*2 > N15_180" goto 7
  2u
  d10*2
goto 8
7 2u 
"d27 = d10 - N15_90"



  (d10*2):f1 (d27 N15_180 ph12):f3

8 2u




  (H1_90 ph13):f1
  d13
  p17:gp7	  ;1.0m, 20G/cm
  d16 pl10:f1
9 d13




# 1 "/u/exp/stan/nmr/lists/pp/dipsi2rcf1.incl" 1
; total = 172.668*p31
; RCDELAY=p31*1.599 must be set in including pulse program!
;R
  (p31*2.000 ph0 RCDELAY p31*1.556 ph0 3u):f1
  (p31*3.556 ph2 RCDELAY p31*1.000 ph2 3u):f1
  (p31*3.000 ph0 RCDELAY p31*0.222 ph0 3u):f1
  (p31*2.222 ph2 RCDELAY p31*0.944 ph2 3u):f1
  (p31*0.333 ph0 3u):f1
  (p31*1.389 ph2 RCDELAY p31*1.333 ph2 3u):f1
  (p31*3.333 ph0 RCDELAY p31*0.833 ph0 3u):f1
  (p31*2.833 ph2 RCDELAY p31*0.111 ph2 3u):f1
  (p31*2.111 ph0 RCDELAY p31*2.000 ph0 RCDELAY):f1
;R-bar
  (p31*2.000 ph2 RCDELAY p31*1.556 ph2 3u):f1
  (p31*3.556 ph0 RCDELAY p31*1.000 ph0 3u):f1
  (p31*3.000 ph2 RCDELAY p31*0.222 ph2 3u):f1
  (p31*2.222 ph0 RCDELAY p31*0.944 ph0 3u):f1
  (p31*0.333 ph2 3u):f1
  (p31*1.389 ph0 RCDELAY p31*1.333 ph0 3u):f1
  (p31*3.333 ph2 RCDELAY p31*0.833 ph2 3u):f1
  (p31*2.833 ph0 RCDELAY p31*0.111 ph0 3u):f1
  (p31*2.111 ph2 RCDELAY p31*2.000 ph2 RCDELAY):f1
;R-bar
  (p31*2.000 ph2 RCDELAY p31*1.556 ph2 3u):f1
  (p31*3.556 ph0 RCDELAY p31*1.000 ph0 3u):f1
  (p31*3.000 ph2 RCDELAY p31*0.222 ph2 3u):f1
  (p31*2.222 ph0 RCDELAY p31*0.944 ph0 3u):f1
  (p31*0.333 ph2 3u):f1
  (p31*1.389 ph0 RCDELAY p31*1.333 ph0 3u):f1
  (p31*3.333 ph2 RCDELAY p31*0.833 ph2 3u):f1
  (p31*2.833 ph0 RCDELAY p31*0.111 ph0 3u):f1
  (p31*2.111 ph2 RCDELAY p31*2.000 ph2 RCDELAY):f1
;R
  (p31*2.000 ph0 RCDELAY p31*1.556 ph0 3u):f1
  (p31*3.556 ph2 RCDELAY p31*1.000 ph2 3u):f1
  (p31*3.000 ph0 RCDELAY p31*0.222 ph0 3u):f1
  (p31*2.222 ph2 RCDELAY p31*0.944 ph2 3u):f1
  (p31*0.333 ph0 3u):f1
  (p31*1.389 ph2 RCDELAY p31*1.333 ph2 3u):f1
  (p31*3.333 ph0 RCDELAY p31*0.833 ph0 3u):f1
  (p31*2.833 ph2 RCDELAY p31*0.111 ph2 3u):f1
  (p31*2.111 ph0 RCDELAY p31*2.000 ph0 RCDELAY):f1
# 225 "/u/exp/stan/nmr/lists/pp/n15tocfhsqc.fp" 2





  lo to 9 times l9
  d13
  p19:gp9	 ;2.0m, 20G/cm
  d16 pl1:f1
  (H1_90 ph0):f1
  d13
  p15:gp5   ;500u, 7G/cm
  d16
  TAUA
  (CEN_HN1 H1_180 ph0):f1 (N15_180 ph0):f3
  TAUA
  d13
  p15:gp5   ;500u, 7G/cm
  d16
  (H1_90*55 ph0):f1
  d13
  (H1_90 ph1):f1
  d13
  p16:gp6   ;1.0m, 4G/cm
  d16 

  d13
  (N15_90 ph15):f3
  d0 
  d13



  (H1_180 ph12):f1

  d13
  d0 
  (N15_90 ph16):f3
  d13







  d13
  p16:gp6   ;1.0m, 4G/cm
  d16 
  (H1_90 ph2):f1
  d13
  TAUB
  p18:gp8   ;700u, 10G/cm
  d16
  (H1_90*0.231 ph1):f1
  TAUW
  (H1_90*0.692 ph1):f1
  TAUW
  (H1_90*1.462 ph1):f1
  TAUW1
  (N15_180 ph0):f3
  TAUW1
  (H1_90*1.462 ph3):f1
  TAUW
  (H1_90*0.692 ph3):f1
  TAUW
  (H1_90*0.231 ph3):f1
  d13
  p18:gp8   ;700u, 10G/cm
  d16 pl16:f3
  TAUB
  d6
  go=2 ph31 cpd3:f3




  d11 do:f3 wr #0 if #0 zd


  d14 ip15
  lo to 3 times 2
  d14 id0 
  d14 ip31
  d14 ip31
  lo to 4 times l4
  d14 rd0


  d14 ip11
  d14 ip11
  lo to 5 times 2
  d14 id10
  d14 ip31
  d14 ip31
  lo to 6 times l6



  d14 setnmr2^0
exit
  
ph0=0
ph1=1
ph2=2
ph3=3
ph11=(8) 7
ph12=0 0 0 0 2 2 2 2
ph13=0 2
ph15=0 0 2 2
ph16=0 0 0 0 0 0 0 0
ph18=0
ph31=0 2 2 0 0 2 2 0