# 1 "/u/exp/stan/nmr/lists/pp/cthsqcse.bv" ;cthsqcse.bv ;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) ; ;Modified for prosol compliance, B. Volkman, MCW (bvolkman@mcw.edu) ;version: 041702 ; ; $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 SBSUPR ;#define WURST ; ;You shouldn't have to worry about anything beyond this point :-) ; ;sanity checks ; ; ;Define channel assignments: ; 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" ; "d0=d13" "d5=500u" "d6=H1_90" "d7=C13_90" "d18=d8-d16-p17-p5+C13_180+d12+d13" "d22=d2-p15" "d24=d4-p15" "d25=d5-p18" "d29=C13_90-H1_90" # 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 $ # 104 "/u/exp/stan/nmr/lists/pp/cthsqcse.bv" 2 # 1 "/u/exp/stan/nmr/lists/pp/Gradfa.incl" 1 ;Gradfa.incl - include file for Gradient Spectroscopy ;avance-version ; $Id: Gradfa.incl,v 1.1 1999/03/24 23:03:40 abild Exp abild $ ; define list<gradient> EA=<EA> # 105 "/u/exp/stan/nmr/lists/pp/cthsqcse.bv" 2 1 ze d12 pl1:f1 pl2:f2 2 d11 do:f2 d14 d14 3 d14 d14 d14 d14 d14 4 d14 setnmr2^0 d1 pl1:f1 pl2:f2 (H1_90 ph0):f1 d2 (d29 H1_180 ph0):f1 (C13_180 ph0):f2 d2 setnmr2|0 ; (H1_90*55 ph0):f1 ; d13 (H1_90 ph1):f1 d12 pl16:f3 p16:ngrad:c34 ;1m, 20G/cm d16 d13 cpd3:f3 (C13_90 ph11):f2 d13 d12 pl0:f2 (d8) (d0 H1_180 ph0):f1 (d0 p5:sp5 ph0):f2 d13 d12 pl2:f2 (d18) (d0 C13_180 ph13):f2 d13 d12 pl0:f2 (p5:sp5 ph0):f2 d13 do:f3 p17:ngrad:c34 ;720u, 40G/cm d16 pl2:f2 d13 cpd3:f3 (C13_90 ph12):f2 d6 (H1_90 ph0):f1 d13 p15:ngrad:c34 ;250u, 16G/cm d24 (C13_180 ph0):f2 (H1_180 ph0):f1 d13 p15:ngrad:c34 ;250u, 16G/cm d24 d7 (C13_90 ph1):f2 (H1_90 ph1):f1 d13 p15:ngrad:c34 ;250u, 16G/cm d22 do:f3 (d29 H1_180 ph0):f1 (C13_180 ph0):f2 d13 p15:ngrad:c34 ;250u, 16G/cm d22 (H1_90 ph0):f1 d5 (H1_180 ph0):f1 p18:ngrad:c34 ;180u, -/+40G/cm d25 d12 pl12:f2 go=2 ph31 cpds2:f2 d11 do:f2 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 20u setnmr2^0 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