# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/cthsqcse_ar.fp" ;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: pulseprogram,v 1.1 2021/02/11 16:06:01 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 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 ; ; ;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+C13_180+d12+d13" "d22=d2-p15" "d24=d4-p15" "d25=d5-p18" ;"d29=H1_90-C1390" # 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (03/02/17) ;$Id: pulseprogram,v 1.1 2021/02/11 16:06:01 bmrbsvc Exp $ # 105 "/opt/xwinnmr/exp/stan/nmr/lists/pp/cthsqcse_ar.fp" 2 # 1 "/opt/xwinnmr/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 16:06:01 bmrbsvc Exp $ ; define list EA= # 106 "/opt/xwinnmr/exp/stan/nmr/lists/pp/cthsqcse_ar.fp" 2 1 ze d12 pl1:f1 pl2:f2 2 d11 do:f2 d14 d14 3 d14 d14 d14 d14 d14 4 d14 setnmr3^0 d1 pl1:f1 pl2:f2 (H1_90 ph0):f1 d2 (center (H1_180 ph0):f1 (C13_180 ph0):f2) d2 setnmr3|0 ; (H1_90*55 ph0):f1 ; d13 (H1_90 ph1):f1 p16:gp16 ;1m, 20G/cm d16 (C13_90 ph11):f2 d13 d12 pl0:f2 (d8) (d0 H1_180 ph0):f1 d13 d12 pl2:f2 (d18) (d0 C13_180 ph13):f2 d13 d12 pl0:f2 d13 p17:gp17 ;720u, 40G/cm d16 pl2:f2 (C13_90 ph12):f2 d6 (H1_90 ph0):f1 d13 p15:gp15 ;250u, 16G/cm d24 (C13_180 ph0):f2 (H1_180 ph0):f1 d13 p15:gp15 ;250u, 16G/cm d24 d7 (C13_90 ph1):f2 (H1_90 ph1):f1 d13 p15:gp15 ;250u, 16G/cm d22 (center (H1_180 ph0):f1 (C13_180 ph0):f2) d13 p15:gp15 ;250u, 16G/cm d22 (H1_90 ph0):f1 d5 (H1_180 ph0):f1 p18:gp18*EA*-1 ;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 setnmr3^0 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 ;for z-only gradients: ;gpz15: -30% ;gpz16: 5% ;gpz17: 80% ;gpz18: -80.2% ;use gradient files: ;gpnam15: SINE.32 ;gpnam16: SINE.100 ;gpnam17: SINE.32 ;gpnam18: SINE.32