# 1 "/u/exp/stan/nmr/lists/pp/hcchtocsy.fa"
;hcchtocsy.fa
;3D HCCH TOCSY with PFG
;Kay et al., J. Magn. Reson. B 101, 333-337 (1993)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
;  $Id: hcchtocsy.fa,v 1.2 2002/02/08 03:16:52 abild Exp abild $
;
;  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)
;o1p: 4.7 ppm
;o2p: 118 ppm
;o3p:  43 ppm
;
;p1 90 H1  at pl1
;p2 90 N15 at pl3
;p3 90 C13 at pl2
;p5 180 CO SEDUCE1 shape at power sp5, offset CO-43 ppm
;p10 1 ms 1H purge pulse at pl10
;p31 90 C at pl14 for isotropic mixing
;13C Waltz-16 or GARP PCPD at pl12 (cpdprg3)
;H1 evolution:
;   SW(H)=1/(2*in0)
;   l4 complex points
"l4=td1/2"
;C13 evolution:
;  in10, SW(C)=1/(2*in10)
;  l6 complex points
"l6=td2/2"
;  Initial delay is in10: gives (90,-180) phase distortion in F1.
;ns=8, 16, ..., ds=8, 16,...
;
;Recommendations for gradients, triple-axis (single-axis):
;gpz1:  12%
;gpz2:  22%
;gpz3:  14%
;gpx4:  27% adjust for magic-angle (0%)
;gpz4:  15% (35%)
;gpx5:  27% adjust for magic-angle (0%)
;gpz5:  15% (35%)
;gpx6:  12% (0%)
;gpz6:   0% (12%)
;gpy7:  12% (0%)
;gpz7:   0% (12%)
;gpnam1: sine.50
;gpnam2: sine.100
;gpnam3: sine.32
;gpnam4: sine.100
;gpnam5: sine.100
;gpnam6: sine.50
;gpnam7: sine.32
;
;Define one or more of the following options to tailor this pulse program
; to your specific needs.
;
;#define ONE_D		; uncomment for 1D experiment


;#define EXPTCORR	; uncomment if you want "expt" to report
			; the correct exp. time (works with XWIN-NMR 2.x)
;Select an isotropic mixing scheme
;#define DIPSI2			;taum = 115.112*p31*l9
;#define DIPSI2RC		;taum = 172.668*p31*l9

;#define FLOPSY8		;not available yet
;
;Define channel assignments:



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






define delay TAUA
define delay TAUA1
define delay TAUA7
define delay TAUB
define delay TAUB3
define delay TAUC
define delay TAUC6
define delay TAUM
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
define pulse CO_180
define pulse GRAD1
define pulse GRAD2
define pulse GRAD3
define pulse GRAD4
define pulse GRAD5
define pulse GRAD6
define pulse GRAD7

"d11=100m"
"d12=10u"
"d13=5u"
"d14=60u"
"d16=300u"
"H1_90=p1"
"H1_180=H1_90*2"
"N15_90=p2"
"N15_180=N15_90*2"
"C13_90=p3"
"C13_180=C13_90*2"
"CO_180=p5"
;
"GRAD1=500u"
"GRAD2=2m"
"GRAD3=300u"
"GRAD4=7m"
"GRAD5=4.4m"
"GRAD6=500u"
"GRAD7=300u"
;
"TAUA=1.6m"
"TAUB=475u"
"TAUC=1.1m"
"TAUA1=TAUA-GRAD1"
"TAUA7=TAUA-GRAD7"
"TAUB3=TAUB-GRAD3-CO_180/2"
"TAUC6=TAUC-GRAD6"

"d0=d13"

  "d10=(in10/2)+d13"



"d23=C13_90*4+d13*4"
"d24=H1_90+N15_90+d13"
"CEN_HC1=C13_90-H1_90"









  "TAUM=217.336*p31*l9"






# 1 "/u/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance.incl
;
;avance-version (03/02/17)


















































































































;$Id: Avance1.incl,v 1.7.2.3 2003/02/25 14:48:47 ber Exp $
# 168 "/u/exp/stan/nmr/lists/pp/hcchtocsy.fa" 2

# 1 "/u/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad.incl  -  include file for Gradient Spectroscopy
;
;avance-version (02/05/31)



















define list<gradient> EA=<EA>



;$Id: Grad1.incl,v 1.7 2002/06/12 09:04:22 ber Exp $
# 169 "/u/exp/stan/nmr/lists/pp/hcchtocsy.fa" 2


1 ze
  TAUM		;TAUM is used so that ASED can show the mix. time
2 d13
  d14 do:f2
  d11 setnmr2^0
3 d14
  d14
  d14
4 d14
  d14
5 d14
  d14
  d14
6 d13



  d1 pl1:f1 pl2:f2 pl3:f3
  d13 setnmr2|0
  d13 setnmr0|34|32|33
;------------------ INEPT to f2 and ; comment out for 2D w/o H1 evolution -------------------
  (H1_90 ph11):f1
  d13
  GRAD1:gp1		; 500u, 8G/cm
  TAUA1
  d0
  (C13_90 ph0 d13 C13_180 ph1 d13 C13_90 ph0):f2
  d0
  (H1_180 ph0):f1
  d13
  GRAD1:gp1		; 500u, 8G/cm
  TAUA1
  d23
  (H1_90 ph1):f1
  d13
  GRAD2:gp2		; 2.0m, 15G/cm
  d16                                                       
;------------------ Refocus f2 and ; comment out for 2D w/o C13 evolution -------------------
  (C13_90 ph12):f2
  d10
  (N15_180 ph0):f3
  d13
  GRAD3:gp3		; 300u, 10G/cm
  TAUB3 pl0:f2
  (CO_180:sp5 ph0):f2
  d13
  GRAD3:gp3		; 300u, 10G/cm
  TAUB3 pl3:f2
  (H1_180 ph0):f1
  d10
  (C13_180 ph0):f2
  d13
  GRAD3:gp3		; 300u, 10G/cm
  TAUB3 pl0:f2
  d24
  (CO_180:sp5 ph0):f2
  d13
  d24
  GRAD3:gp3		; 300u, 10G/cm
  TAUB3 pl3:f2
  (C13_90 ph1):f2
;-------------------- f2 isotropic mixing ---------------------
  d13
  d12 pl14:f2
9 d13







# 1 "/u/exp/stan/nmr/lists/pp/dipsi3C.incl" 1
  (p31*2.722 ph2 3u):f2 
  (p31*4.389 ph0 3u):f2
  (p31*2.778 ph2 3u):f2
  (p31*3.056 ph0 3u):f2
  (p31*0.333 ph2 3u):f2
  (p31*2.556 ph0 3u):f2
  (p31*4.000 ph2 3u):f2
  (p31*2.722 ph0 3u):f2
  (p31*4.111 ph2 3u):f2
  (p31*3.778 ph0 3u):f2
  (p31*3.889 ph2 3u):f2
  (p31*2.889 ph0 3u):f2
  (p31*3.000 ph2 3u):f2
  (p31*0.333 ph0 3u):f2
  (p31*2.500 ph2 3u):f2
  (p31*4.056 ph0 3u):f2
  (p31*2.833 ph2 3u):f2
  (p31*4.389 ph0 3u):f2
  (p31*2.722 ph0 3u):f2 
  (p31*4.389 ph2 3u):f2
  (p31*2.778 ph0 3u):f2
  (p31*3.056 ph2 3u):f2
  (p31*0.333 ph0 3u):f2
  (p31*2.556 ph2 3u):f2
  (p31*4.000 ph0 3u):f2
  (p31*2.722 ph2 3u):f2
  (p31*4.111 ph0 3u):f2
  (p31*3.778 ph2 3u):f2
  (p31*3.889 ph0 3u):f2
  (p31*2.889 ph2 3u):f2
  (p31*3.000 ph0 3u):f2
  (p31*0.333 ph2 3u):f2
  (p31*2.500 ph0 3u):f2
  (p31*4.056 ph2 3u):f2
  (p31*2.833 ph0 3u):f2
  (p31*4.389 ph2 3u):f2
  (p31*2.722 ph0 3u):f2 
  (p31*4.389 ph2 3u):f2
  (p31*2.778 ph0 3u):f2
  (p31*3.056 ph2 3u):f2
  (p31*0.333 ph0 3u):f2
  (p31*2.556 ph2 3u):f2
  (p31*4.000 ph0 3u):f2
  (p31*2.722 ph2 3u):f2
  (p31*4.111 ph0 3u):f2
  (p31*3.778 ph2 3u):f2
  (p31*3.889 ph0 3u):f2
  (p31*2.889 ph2 3u):f2
  (p31*3.000 ph0 3u):f2
  (p31*0.333 ph2 3u):f2
  (p31*2.500 ph0 3u):f2
  (p31*4.056 ph2 3u):f2
  (p31*2.833 ph0 3u):f2
  (p31*4.389 ph2 3u):f2
  (p31*2.722 ph2 3u):f2 
  (p31*4.389 ph0 3u):f2
  (p31*2.778 ph2 3u):f2
  (p31*3.056 ph0 3u):f2
  (p31*0.333 ph2 3u):f2
  (p31*2.556 ph0 3u):f2
  (p31*4.000 ph2 3u):f2
  (p31*2.722 ph0 3u):f2
  (p31*4.111 ph2 3u):f2
  (p31*3.778 ph0 3u):f2
  (p31*3.889 ph2 3u):f2
  (p31*2.889 ph0 3u):f2
  (p31*3.000 ph2 3u):f2
  (p31*0.333 ph0 3u):f2
  (p31*2.500 ph2 3u):f2
  (p31*4.056 ph0 3u):f2
  (p31*2.833 ph2 3u):f2
  (p31*4.389 ph0 3u):f2

# 243 "/u/exp/stan/nmr/lists/pp/hcchtocsy.fa" 2


  lo to 9 times l9
  d13
;------------- Purge water with SLx,SLy and gradients --------
  d12 pl10:f1
  (p10*2 ph0 d13 p10*1.4 ph1):f1
  d13
  GRAD4:gp4		; 7.0m, 30G/cm
  d16 pl1:f1
  (H1_90 ph0):f1
  d13
  GRAD5:gp5		; 4.4m, 30G/cm
  d16 pl3:f2
  (C13_90 ph1):f2
  d13
  GRAD6:gp6		; 500u, 8G/cm
  TAUC6
  (C13_180 ph0):f2 (CEN_HC1 H1_180 ph0):f1
  d13
  GRAD6:gp6		; 500u, 8G/cm
  TAUC6
  (C13_90 ph0):f2
  (H1_90 ph0):f1
  d13
  GRAD7:gp7		; 300u, 8G/cm
  TAUA7
  (CEN_HC1 H1_180 ph0):f1 (C13_180 ph0):f2
  d13 pl12:f2
  GRAD7:gp7		; 300u, 8G/cm
  TAUA7 setnmr0^34^32^33
;----- Suppress water and f2 decoupling sideband modulation ---
  (H1_90 ph0):f1 ;(C13_90 ph0 d13 C13_90 ph13):f2
;  d13 setnmr0^34^32^33
;  d12 pl12:f2
  go=2 ph31 cpds2:f2




  d11 do:f2 wr #0 if #0 zd

  d13 setnmr2^0

  d14 ip11
  lo to 3 times 2
  d14 id0 
  d14 ip31
  d14 ip31
  lo to 4 times l4
  d14 rd0


  d14 ip12 
  lo to 5 times 2
  d14 id10
  d14 ip31
  d14 ip31
  lo to 6 times l6


exit

ph0=0
ph1=1
ph2=2
ph3=3
ph11=0 2
ph12=0 0 2 2
ph13=0 0 0 0 2 2 2 2
ph31=0 2 2 0