;c13cttrosy.fa ;2D 13C-1H-ct-TROSY with optional N15 decoupling ;Pervushin et al., Proc. J. Am. Chem. Soc. 120, 6394-6400 (1998) ;Bruker Avance/Xwin-nmr version ;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu) ; ; $Id: c13cttrosy.fa,v 1.3 1999/08/02 23:07:52 abild Exp abild $ ; ; Disclaimer: This pulse program is provided "as is" for your ; information. Support for the use of this pulse program is ; 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: 4.7ppm ;o2p: 118ppm ;o3p: 127ppm ; ;d1: relaxation delay=d1+0.1s ;p1 90 H1 at pl1 ;p3 90 C13 at pl3 ;pl10: 10kHz H1 field for purge pulses (not used with WATERGATE) ;d21: 1/(2*dNu), dNu=Nu(MAX)-Nu(H2O) for optional WATERGATE ;N15 Waltz-16 PCPD at pl12, cpdprg2 (optional) ;C13 GARP decoupling using CPDPRG3 and PCPD at pl13 ;C13 evolution: ; SW(C)=1/(2*in0), in20=in0 for ct version ; l4 complex points. Set '1 td' to 2*l4. ; Process as States. Initial delay in t1 is DW(C)/2 with cnst0=0 ; ((90,-180) phase distortion in F1). ;ns=4,8,... ,ds=4,8,... ; ;Recommendations for gradients: ;gp1z=15% (10G/cm) ;gp2z=18% (12G/cm) only used if C_INSERT is defined ;gp3z=60% (40G/cm) ;gp4z=15% (30G/cm) ;gp5z=60% (40G/cm) #define ONE_D ; uncomment for 1D experiment #define WATERGATE ; uncomment for 3-9-19 watergate in rev. INEPT ;#define PRESAT #define CT ; uncomment for constant-time experiment #define C_INSERT ; uncomment for experiment with "panel c" S3E element #define N15_DEC ; uncomment for N15 decoupling ;#define COMPOSITE ; uncomment for composite C13 180 pulses #define EXPTCORR ; uncomment if you want "expt" to report ; ; the correct expt time (works with XWIN-NMR 2.x) ;Define channel assignments: #define H f1 #define N f2 #define C f3 ; ;You shouldn't have to worry about anything beyond this point :-) ; ;Sanity checks: #ifndef CT #undef C_INSERT #endif ; define delay TAU1 define delay TAU2 define delay TAU12 define delay TAUW define pulse GRAD1 define pulse GRAD2 define pulse GRAD3 define pulse GRAD4 define pulse GRAD5 define pulse H1_90 define pulse H1_180 define pulse C13_90 define pulse C13_180 define pulse C13_59 define pulse C13_298 define pulse C13_240 "d11=100m" ;disk i/o "d12=10u" ;power switching etc. "d13=5u" ;a short delay "d14=40u" ;ip,id etc. "d16=300u" ;gradient recovery delay "H1_90=p1" "H1_180=H1_90*2" "C13_90=p3" "C13_180=C13_90*2" "C13_59=C13_90*59.4/90.0" "C13_240=C13_90*240.0/90.0" "C13_298=C13_90*298.0/90.0" "GRAD1=800u" "GRAD2=400u" "GRAD3=1m" "GRAD4=500u" "GRAD5=1.5m" "d2=1.6m" ;1/(4*Jch) "TAU1=d2-GRAD1-d16-d13" #ifdef WATERGATE "TAUW=d21" "TAU2=d2-GRAD4-d16-d13-TAUW*2.5-H1_90*2.385" "d6=H1_90" #else "TAU2=d2-GRAD4-d16-d13" "p10=8m" ;1H purge pulse "p11=5m" ;1H purge pulse #endif "TAU12=d2/2-GRAD2-d16-d13-C13_90" #ifdef CT "d3=8.8m" ;1/(2*Jcc) #ifdef C_INSERT "d7=C13_90" #ifdef ONE_D "d0=d3-d2/2" "d20=d3-d2/2" #else "d0=d3-d2/2+in0/2" "d20=d3-d2/2-in0/2" #endif #else #ifdef ONE_D "d0=d3" "d20=d3" #else "d0=d3+in0/2" "d20=d3-in0/2" #endif ;end C_INSERT #endif #else ;begin non-constant time #ifdef ONE_D "d0=d13" #else "d0=((cnst0*2+1)*in0-C13_90*1.273)/2" #endif #endif #ifdef EXPTCORR "d31=2*TAU1+2*TAU2+2*GRAD1+GRAD3+2*GRAD4+GRAD5" #endif #ifdef COMPOSITE "d29=(C13_90*2+C13_240+d13*2-H1_180)/2" ;"d28=(C13_59*2+C13_298+d13*2-H1_180)/2" #define INEPT_INV00 (d29 H1_180 ph0):H (C13_90 ph0 d13 C13_240 ph1 d13 C13_90 ph0):C #define INEPT_INV30 (d29 H1_180 ph3):H (C13_90 ph0 d13 C13_240 ph1 d13 C13_90 ph0):C ;#define INEPT_REF00 (d28 H1_180 ph0):H (C13_59 ph0 d13 C13_298 ph2 d13 C13_59 ph0):C ;#define INEPT_REF10 (d28 H1_180 ph1):H (C13_59 ph0 d13 C13_298 ph2 d13 C13_59 ph0):C #define C13_REF0 (C13_59 ph0 d13 C13_298 ph2 d13 C13_59 ph0):C #define C13_INV0 (C13_90 ph0 d13 C13_240 ph1 d13 C13_90 ph0):C #ifdef WATERGATE "d22=(TAUW-(C13_90*2+C13_240+d13*2))/2" #endif #else "d29=C13_90-H1_90" #define INEPT_INV00 (d29 H1_180 ph0):H (C13_180 ph0):C #define INEPT_INV30 (d29 H1_180 ph3):H (C13_180 ph0):C #define INEPT_REF00 (d29 H1_180 ph0):H (C13_180 ph0):C #define INEPT_REF10 (d29 H1_180 ph1):H (C13_180 ph0):C #define C13_REF0 (C13_180 ph0):C #define C13_INV0 (C13_180 ph0):C #ifdef WATERGATE "d22=(TAUW-C13_180)/2" #endif #endif #include #include 1 ze 2 d11 do:C d14 3 d14 d14 d14 d14 d14 d14 4 d14 LOCKH_OFF #ifdef EXPTCORR #include #endif #ifndef WATERGATE d12 pl10:H (p10 ph0 d13 p11 ph1):H d13 #endif #ifdef PRESAT d12 pl10:H (p10 ph0 d13 p11 ph1):H d13 d12 pl9:H d1 cw:H d13 do:H #else d1 #endif d12 pl1:H pl3:C d14 LOCKH_ON (H1_90 ph0):H d13 GRAD1:gp1 ;800us, 10G/cm d16 TAU1 INEPT_INV30 TAU1 d13 GRAD1:gp1 ;800u, 10G/cm d16 (H1_90*55 ph0):H d13 (H1_90 ph3):H d13 GRAD5:gp5 ;1.5m, 40G/cm d16 #ifdef N15_DEC 10u pl12:N d13 cpds2:N #endif (C13_90 ph11):C #ifdef CT #ifdef C_INSERT d7 TAU12 d13 GRAD2:gp2 ;800u, 12G/cm d16 INEPT_REF00 d13 GRAD2:gp2 ;800u, 12G/cm d16 TAU12 (C13_90 ph13):C d0 ;tauA C13_REF0 d20 ;tauB #else d0 ;tauA C13_REF0 d20 ;tauB #endif #else d0 d0 #endif (C13_90 ph12):C d13 #ifdef N15_DEC d13 do:N #endif GRAD3:gp3 ;1ms, 40G/cm d16 (H1_90 ph0):H d13 TAU2 GRAD4:gp4 ;500us, 30G/cm d16 #ifdef WATERGATE (H1_90*0.231 ph20):H TAUW (H1_90*0.692 ph20):H TAUW (H1_90*1.462 ph20):H d22 C13_INV0 d22 (H1_90*1.462 ph21):H TAUW (H1_90*0.692 ph21):H TAUW (H1_90*0.231 ph21):H d6 #else INEPT_INV00 #endif d13 GRAD4:gp4 ;500us, 30G/cm d16 pl13:C TAU2 go=2 ph31 cpd3:C #ifdef ONE_D d11 do:C wr #0 #else d11 do:C wr #0 if #0 zd d14 ip12 lo to 3 times 2 d14 id0 #ifdef CT d14 dd20 #else d14 #endif d14 ip31 d14 ip31 lo to 4 times l4 #endif d14 LOCKH_OFF exit ph0=0 ph1=1 ph2=2 ph3=3 #ifdef C_INSERT ph11=(8) 1 5 ph12=0 0 2 2 ph31=0 2 2 0 #else ph11=(8) 0 ph12=0 2 ph31=0 2 #endif ph13=0 ph20=1 ph21=3