;cthsqcse.fa
;2D constant time C13 HSQC-SE
;Vuister and Bax, J. Magn. Reson., 98, 428-435 (1992)
;Schleucher et al., J. Biol. NMR, 4, 301-306 (1994)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
;  $Id: cthsqcse.fa,v 1.1 1999/08/01 08:22:59 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 assignment may be changed below)
;Gradient program: facthsqcse
;o1p: 4.7ppm
;o2p: 118ppm
;o3p: 43ppm (aliphatic) or  130 (aromatic)
;
;p5 180 C' SEDUCE1 shaped at offset CO-43ppm, using sp5
;d2: 1/(4Jch), aliph: 1.87ms, arom: 1.5ms
;d4: 1/(4Jch) for CH, 1/(8Jch) for CH, CH2 and CH3
;  i.e. 1.87ms or 0.93ms, resp.
;  for arom: 1.5ms
;d8=1/2Jcc or 1/Jcc, aliph: 13.3m or 26.6m, resp., arom: 8ms or 16ms, resp.
;For aromatic residues: comment out N15_DEC and CO_DEC below
;C evolution:
;  in0, SW(C)=1/(2*in0), typically 33ppm
;  l4 complex points, max l4 = (d8-p5)/in0
;  Define C_90180 below for (90,-180) phase twist
;C13 GARP decoupling using CPDPRG3 and PCPD3 at pl13
;  or WURST decoupling using CPDPRG3 and PCD3 at sp3 (define WURST below)
;  For side-band suppression, define SBSUPR below (16 step phase cycle)
;Recommendations for gradients:
;p15=250u
;p16=1m
;p17=720u
;p18=180u
;cnst23=5G/cm
;cnst24=16G/cm
;cnst25=40G/cm (or 20G/cm if magic-angle gradients are used)
;cnst27/28=-/+40G/cm (or -/+20G/cm if magic-angle gradients are used)
;cnst30=1.800, if using magic-angle gradients, adjust for magic angle gradient (Gx/Gz)

;#define ONE_D
#define C_90180
;#define N15_DEC
;#define CO_DEC
;#define SBSUPR
;#define WURST
;
;You shouldn't have to worry about anything beyond this point :-)
;
;sanity checks
;
#ifdef ONE_D
#undef C_90180
#endif
;
;Define channel assignments:
#define H f1
#define N f2
#define C f3
;
define pulse H1_90
define pulse H1_180
define pulse C13_90
define pulse C13_180
"d11=100m"
"d12=10u"
"d13=5u"
"d14=40u"
"d16=300u"
"H1_90=p1"
"H1_180=p1*2"
"C13_90=p3"
"C13_180=p3*2"
;
#ifdef C_90180
"d0=d13+in0/2"
#else
"d0=d13"
#endif
"d5=500u"
"d6=H1_90"
"d7=C13_90"
#ifdef CO_DEC
  "d18=d8-d16-p17-p5+C13_180+d12+d13"
#else
  "d18=d8-d16-p17+C13_180+d12+d13"
#endif
"d22=d2-p15"
"d24=d4-p15"
"d25=d5-p18"
"d29=C13_90-H1_90"

#include <Avance.incl>
#include <Gradfa.incl>

1 ze
  d12 pl1:H pl3:C
2 d11 do:C
  d14
  d14
3 d14
  d14
  d14
  d14
  d14
4 d14 LOCKH_OFF
  d1 pl1:H pl3:C
  (H1_90 ph0):H
  d2
  (d29 H1_180 ph0):H (C13_180 ph0):C
  d2 LOCKH_ON
  (H1_90*55 ph0):H
  d13
  (H1_90 ph1):H
#ifdef N15_DEC
  d12 pl12:N
#endif
  GRADIENT16(cnst23)		;1m, 20G/cm
  d16
#ifdef N15_DEC
  d13 cpd2:N
#endif
  (C13_90 ph11):C
  d13
  d12 pl0:C
#ifdef CO_DEC
  (d8) (d0 H1_180 ph0):H (d0 p5:sp5 ph0):C
#else
  (d8) (d0 H1_180 ph0):H
#endif
  d13
  d12 pl3:C
  (d18) (d0 C13_180 ph13):C
  d13
  d12 pl0:C
#ifdef CO_DEC
  (p5:sp5 ph0):C
#endif
#ifdef N15_DEC
  d13 do:N
#else
  d13
#endif
  GRADIENT17(cnst25)		;720u, 40G/cm
  d16 pl3:C
#ifdef N15_DEC
  d13 cpd2:N
#endif
  (C13_90 ph12):C
  d6
  (H1_90 ph0):H
  d13
  GRADIENT15(cnst24)		;250u, 16G/cm
  d24
  (C13_180 ph0):C
  (H1_180 ph0):H 
  d13
  GRADIENT15(cnst24)		;250u, 16G/cm
  d24
  d7
  (C13_90 ph1):C
  (H1_90 ph1):H 
  d13
  GRADIENT15(cnst24)		;250u, 16G/cm
#ifdef N15_DEC
  d22 do:N
#else
  d22
#endif
  (d29 H1_180 ph0):H (C13_180 ph0):C
  d13
  GRADIENT15(cnst24)		;250u, 16G/cm
  d22
  (H1_90 ph0):H
  d5
  (H1_180 ph0):H
  GRADIENT18(cnst27)		;180u, -/+40G/cm
  d25
#ifdef SBSUPR
  (C13_90 ph0 d13 C13_90 ph14):C
#endif
#ifdef WURST
  d12 pl0:C
#else
  d12 pl13:C
#endif
  go=2 ph31 cpds3:C
#ifdef ONE_D
  d11 do:C wr #0
#else
  d11 do:C wr #0 if #0 zd
  d14 ip12
  d14 ip12
  lo to 3 times 2
  d14 id0 
  d14 ip11
  d14 ip11
  d14 ip31
  d14 ip31
  lo to 4 times l4
#endif
  20u LOCKH_OFF
exit
  
ph0=0
ph1=1
ph2=2
ph3=3
ph11=0 2
ph12=0
ph13=1 1 3 3 2 2 0 0
ph14=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph31=0 2 0 2 2 0 2 0