# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/c13noehsqcgp.fp"
;c13noehsqcgp.fa
;3D (1H,13C,1H) NOESY-HSQC with optional 15N, 13C' and 2H decoupling
;This version makes use of the gp gradient syntax.
;Muhandiram et. al, J. Magn. Reson. B 102, 317-321 (1993)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
; $Id: c13noehsqcgp.fa,v 1.1 2000/05/25 23:41:29 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, f4: 2H (channel assignments may be changed below)
;o1p: 4.7ppm
;o2p: 118ppm
;o3p: 43ppm
;o4p:: 4.5ppm
;
;d1: relaxation delay=d1+0.1s
;p1 90 H at pl1
;p3 90 C at pl2
;p25 90 2H pulse at pl15 (optional)
;d8 mixing time
;pl10: 10kHz H1 field for purge pulses
;pl0 120dB
;
;N15 Waltz-16 PCPD at pl16, cpdprg3 (optional)
;C13 GARP decoupling using CPDPRG2 and PCPD at pl12
;C' Compensated SEDUCE1 decoupling of C', using p31 at sp3,
; shape seduce1c5/6, offset 0, cpdprg4 waltz16sp3p31 (optional).
;H2 Waltz-16 (cpdprg5) decoupling, using p90 (PCPD) at pl15
;C evolution:
; in0, SW(C)=1/(2*in0), typically 24 ppm
; l4 complex points
"l4=td1/2"
; set cnst0 to 0 (preferably) or 1 to make d0 the smallest possible
; positive delay. cnst0=0 gives (90,-180) phase distortion.
; cnst0=1 gives (270,-540) phase distortion (use LP to correct).
; Processing: extend the FID backwards cnst0 points
; and apply (90,-180) phase correction.
;H1 evolution:
; in10, SW(H)=1/(2*in10), typically 8 ppm
; set cnst10 to 0 (preferably) or 1 to make d10 the smallest possible
; positive delay. cnst10=0 gives (90,-180) phase distortion in F1.
; cnst10=1 gives (270,-540) phase distortion in F1 (use LP to correct).
; Processing: extend the FID backwards cnst10 points
; and apply (90,-180) phase correction. An additional -45 dgr phase
; correction is needed.
; l6 complex points
"l6=td2/2"
;
;ns=16,32,..., ds=16,32,...
;
;Recommendations for gradients:
;gpz1: 22%
;gpz2: 22%
;gpz3: 29%
;gpz4: 24%
;gpz5: 44%
;gpz6: -26%
;gpx7: 27% (adjust for magic-angle)
;gpz7: 15%
;gpnam1: sine.50
;gpnam2: sine.100
;gpnam3: sine.100
;gpnam4: sine.50
;gpnam5: sine.100
;gpnam6: sine.100
;gpnam7: sine.50
;
;#define ONE_D ; uncomment for 1D experiment
;#define SEDUCE ; uncomment for compensated SEDUCE-1 decouling of C'
;#define H2_DEC ; uncomment to enable H2 decoupling
;#define MESSERLE ; this may improve solvent suppression
;#define EXPTCORR ; uncomment if you want "expt" to report
; ; the correct expt time (works with XWIN-NMR 2.x)
;
;Define channel assignments:
;
;You shouldn't have to worry about anything beyond this point :-)
;
;sanity checks
;
;
define pulse H1_90
define pulse H1_180
define pulse C13_90
define pulse C13_180
define pulse GRAD1
define pulse GRAD2
define pulse GRAD3
define pulse GRAD4
define pulse GRAD5
define pulse GRAD6
define pulse GRAD7
define delay TAUA4
define delay TAUA7
define delay CEN_HC1
;
"H1_90=p1"
"H1_180=H1_90*2"
"C13_90=p3"
"C13_180=C13_90*2"
"d11=100m" ;disk i/o
"d12=10u" ;power switching etc.
"d13=5u" ;a short delay
"d14=60u" ;ip,id etc.
"d16=300u" ;gradient recovery
"d17=p3*2+d13"
"p10=8m"
"p11=5m"
"GRAD1=400u"
"GRAD2=3m"
"GRAD3=1.0m"
"GRAD4=400u"
"GRAD5=4m"
"GRAD6=3m"
"GRAD7=400u"
"d2=1.7m" ;1/4J
"TAUA4=d2-GRAD4-d13"
"TAUA7=d2-GRAD7-d13"
"CEN_HC1=C13_90-H1_90"
"d18=d8-GRAD2-GRAD3-C13_90-d16*2-d13"
"d10=(in10-H1_90*1.273)/2"
; "d10=(in10-H1_90*1.273-C13_90*4-d13*2)/2"
"d0=(in0-C13_90*1.273-H1_180-d13*2)/2"
# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
; for 1
;
;avance-version (03/02/17)
;$Id: Avance2.incl,v 1.7.2.3 2003/02/25 14:48:48 ber Exp $
# 175 "/opt/xwinnmr/exp/stan/nmr/lists/pp/c13noehsqcgp.fp" 2
# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl - include file for Gradient Spectroscopy
; for 1
;
;avance-version (02/05/31)
define list<gradient> EA=<EA>
;$Id: Grad2.incl,v 1.7 2002/06/12 09:04:22 ber Exp $
# 176 "/opt/xwinnmr/exp/stan/nmr/lists/pp/c13noehsqcgp.fp" 2
1 ze
d11 setnmr4|28
2 d13 do:f2
d14 setnmr4^24
d11 setnmr3^0
3 d14
d14
d14
4 d14
d14
d14
5 d14
d14
d14
6 d13
d12 pl10:f1
(p10 ph0 d13 p11 ph1):f1
d13
d1 pl1:f1 pl2:f2
d13 setnmr3|0
d13 setnmr0|34|32|33
d13 setnmr4|24
(C13_90 ph0):f2
d13
GRAD1:gp1 ;400u, 15G/cm
d16
d12 pl16:f3
d13 cpds3:f3
; Begin Proton evolution
(H1_90 ph13):f1
if "d10*2 > p3*4 + d13*2" goto 7
2u
d10*2
goto 8
7 2u
"d27 = d10-(C13_90*2-d13)"
(d10*2):f1 (d27 C13_90 ph0 d13 C13_180 ph1 d13 C13_90 ph0):f2
8 2u
(H1_90 ph0):f1
; End Proton evolution
d13 do:f3
; Begin mixing time
d18
GRAD2:gp2 ;3ms, 15G/cm
d16
(C13_90 ph0):f2
d13
GRAD3:gp3 ;1ms, 20G/cm
d16
; End mixing time
(H1_90 ph0):f1
d13
GRAD4:gp4 ;400u, 16G/cm
TAUA4
(CEN_HC1 H1_180 ph0):f1 (C13_180 ph0):f2
d13
GRAD4:gp4 ;400u, 16G/cm
TAUA4
(H1_90 ph1):f1
d13
GRAD5:gp5 ;4m, 30G/cm
d16
d13
; Begin Carbon evolution
(C13_90 ph14):f2
d13
d0
(H1_180 ph0):f1
d0
d13
(C13_90 ph0):f2
; End Carbon evolution
d13
d13
GRAD6:gp6 ;3m, -18G/cm
d16
(H1_90 ph15):f1
d13
GRAD7:gp7 ;400u, 20G/cm
TAUA7
d17
d12
(CEN_HC1 H1_180 ph0):f1 (C13_180 ph0):f2
d13
GRAD7:gp7 ;400u, 20G/cm
TAUA7 setnmr0^34^32^33
(C13_90 ph0 d13 C13_90 ph16):f2
(d13 d12 pl12):f2 (H1_90 ph15):f1
go=2 ph31 cpds2:f2
d11 do:f2 wr #0 if #0 zd setnmr4^24
d13 setnmr3^0
d14 ip14
lo to 3 times 2
d14 id0
d14 ip31
d14 ip31
lo to 4 times l4
d14 rd0
d14 ip13
d14 ip13
lo to 5 times 2
d14 id10
d14 ip31
d14 ip31
lo to 6 times l6
d14 setnmr4^28
exit
ph0=0
ph1=1
ph2=2
ph3=3
ph13=(8) 1 1 5 5
ph23=0 0 2 2
ph14=0 2
ph15=2
;ph15={0}*4 {2}*4 {1}*4 {3}*4
ph16=0 0 2 2
ph31=2 0 0 2
;ph31=0 2 2 0 2 0 0 2 3 1 1 3 1 3 3 1