;hncose.fa ;3D HNCO - Gradient enhanced with minimal H2O saturation. ;Kay, Xu, and Ymazaki, J. Magn. Reson. A 109, 129-133 (1994) ;Bruker Avance/Xwin-nmr version ;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu) ; ; $Id: hncose.fa,v 1.2 1999/08/09 00:56:59 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 ;Gradient program: fahncose ;use fq3list fahncose.C (175ppm,56ppm) ; ;p1 90 H at pl1 ;p2 90 N at pl2 ;p3 90 CO at pl3 ;p5 180 Ca square shaped (spnam5) at power sp5, offset Ca-CO (-120ppm) ;p8 180 CO square shaped (spnam8) at power sp8, offset CO-Ca (120ppm) ;p10 90 water selective at sp1, shape seduce1 offset 0 ; Check for any phase difference between hard H1 (pl1) and ; soft H1 (sp1) pulses and set ph21 accordingly. ;H1 Waltz-16 or DIPSI-2 along x (cpdprg1), pcpd1 90 dgr pulse at pl11 ;p11 90 H1 at pl11 (90-y, 90--y) ;N15 Waltz-16 (cpdprg2), pcpd2 90 dgr pulse at pl12 ;Ca SEDUCE1 decoupling of Ca, using pcpd3 at sp3, ; shape seduce1 offset 0, cpdprg3 waltz16sp3. ;N15 evolution: ; in10=in30, SW(N)=1/(2*in10) ; l4 complex points in t2; max. is ((d10-3u)/in10)+1 ; Process as Echo/Anti-Echo ;C13 evolution: ; in0, SW(C)=1/(2*in0) ; l6 complex points ; set cnst0 to 0 (preferably) or 1 to make d0 the smallest possible ; positive delay. cnst0=0 gives (90,-180) phase distortion in F1. ; cnst0=1 gives (270,-540) phase distortion in F1 (use LP to correct). ;ns=8, 16, ...; ds=2m*ns, m=1,2,... ; ;Recommendations for gradients: ;p15=500u ;p16=1m ;p17=250u ;p18=1250u ;p19=125u ;p20=1.5m ;cnst21=8G/cm ;cnst22=20G/cm ;cnst23=15G/cm ;cnst24=20G/cm ;cnst25=30G/cm ;cnst26=-6G/cm ;cnst27/28=+/-30G/cm ;cnst30=1.800 (adjust) for magic angle gradient (Gx/Gz) or 0 for Gz only ; ;#define ONE_D ;uncomment for 1D experiment #define N15_EVOL ;comment out for 2D w/o N15 evolution #define CO_EVOL ;comment out for 2D w/o C13 evolution ;#define SHAPED ;uncomment if using a shaped flip-back pulse ;#define SHORT_P2 ;uncomment if p5/2 > p2 ; ;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 ; #ifdef ONE_D #undef N15_EVOL #undef CO_EVOL #endif ; ; define delay TAUA define delay TAUB define delay TAUC define delay TAUF define delay TAUG define delay TAUH define delay TAUM define delay CEN_H_N define delay CEN_N_C define pulse H1_180 define pulse CAO_180 define pulse CA_180 define pulse CO_180 define pulse N15_180 "d6=p1" "d7=p2" "d11=100m" ;disk i/o "d12=10u" ;power switching etc. "d13=5u" ;just a short delay "d14=20u" ;ip,id etc "d16=200u" ;gradient recovery "d10=12.4m" "d30=12.4m-5.5m-p8-p11-d12*3-d13*4" "TAUF=5.5m-p18-d13*2-d16" "TAUA=2.3m-p15-d13-d16" "TAUB=5.5m" "TAUC=12.4m" "TAUG=2.3m-p17-d13-d16" "TAUH=500u" "d18=TAUH-p19-d13" "d24=TAUC-TAUB-p11-d13*3-d12" "H1_180=p1*2" "CAO_180=p5" "CO_180=p3*2" "N15_180=p2*2" "CEN_H_N=p2-p1" #ifdef CO_EVOL #ifdef SHORT_P2 "CEN_N_C=p5*0.5-p2" "d0=((cnst0*2+1)*in0-p3*1.273-CAO_180-d12*2-d13*2)/2" #else "d0=((cnst0*2+1)*in0-p3*1.273-N15_180-d12*2-d13*2)/2" #endif #endif #define SED_ON d13 \n d12 pl0:C \n d13 cpds3:C #define SED_OFF d13 do:C #define H1_DEC_ON d13 \n d12 pl11:H \n p11:H ph1 \n d13 cpds1:H #define H1_DEC_OFF d13 do:H \n p11:H ph3 \n d12 pl1:H #include #include 1 ze 2 d11 do:N d14 d14 3 d14 d14 d14 d14 d14 d14 4 d14 d14 d14 5 d14 d14 d14 6 20u LOCKH_OFF d1 pl1:H pl2:N pl3:C ;-------------------- set carbon freq. on CO --------------- 50u fq3:C 20u LOCKH_ON (p2 ph0):N d13 GRADIENT15(cnst21) ;500u, 8G/cm d16 pl3:C ;--------------------- INEPT to N -------------------------- (p1 ph0):H d13 GRADIENT15(cnst26) ;500u, 5G/cm d16 TAUA (CEN_H_N H1_180 ph0):H (N15_180 ph0):N d13 TAUA GRADIENT15(cnst26) ;500u, 5G/cm d16 (p1 ph1):H #ifdef SHAPED d12 pl0:H (p10:sp1 ph21):H ;2ms SEDUCE-1 90 H1 pulse at phase x #else d12 pl10:H (p10 ph21):H ;2ms 90 H1 pulse at phase x #endif d12 pl1:H d13 GRADIENT20(cnst23) ;1.5m, 15G/cm d16 ;----------------- INEPT to C' and refocus H --------------- (p2 ph11):N TAUB H1_DEC_ON d24 (N15_180 ph0):N (TAUC) (CO_180 ph0):C (p2 ph0):N H1_DEC_OFF d13 GRADIENT16(cnst22) ;1.0m, 20G/cm d16 (p3 ph12):C ;----------------------- C' evolution ------------------------ d13 #ifdef CO_EVOL d0 d12 pl0:C #ifdef SHORT_P2 (CAO_180:sp5 ph0):C (CEN_N_C N15_180 ph0):N #else (CAO_180:sp5 ph0):C (N15_180 ph0):N #endif d0 d12 pl3:C d13 #endif (p3 ph0):C d13 GRADIENT17(cnst26) ;250u, 5G/cm ;--------------------- Switch C frequency to Ca -------------- d16 fq3:C d12 pl0:C H1_DEC_ON SED_ON ;------ Refocus C' and constant time evolution on N (t2) ----- (p2 ph14):N d10 (N15_180 ph15):N SED_OFF d12 pl0:C (p8:sp8 ph0):C SED_ON d30 H1_DEC_OFF ;------------------ Defocus amide protons -------------------------- TAUF SED_OFF d13 GRADIENT18(cnst25) ;1.25m, 30G/cm d16 ;------------ Double INEPT back to amide protons ------------------- (p2 ph16):N d6 (p1 ph0):H d13 GRADIENT15(cnst26) ;500u, 5G/cm TAUA (N15_180 ph0):N (H1_180 ph0):H d13 TAUA GRADIENT15(cnst26) ;500u, 5G/cm d16 d7 (p2 ph1):N (p1 ph1):H d13 GRADIENT17(cnst21) ;250u, 8G/cm TAUG (CEN_H_N H1_180 ph0):H (N15_180 ph0):N d13 TAUG GRADIENT17(cnst21) ;125u, 8G/cm d16 (p1 ph0):H TAUH (H1_180 ph0):H d13 GRADIENT19(cnst27) ;250u, -+30G/cm d18 pl12:N go=2 ph31 cpd2:N #ifdef ONE_D d11 do:N wr #0 #else d11 do:N wr #0 if #0 zd #endif #ifdef N15_EVOL d14 ip16 d14 ip16 lo to 3 times 2 d14 dd10 d14 id30 d14 ip14 d14 ip14 d14 ip31 d14 ip31 lo to 4 times l4 d14 rd10 d14 rd30 #endif #ifdef CO_EVOL d14 ip12 lo to 5 times 2 d14 id0 d14 ip31 d14 ip31 lo to 6 times l6 #endif 20u LOCKH_OFF exit ph0=0 ph1=1 ph2=2 ph3=3 ph11=0 2 ph12=0 0 0 0 2 2 2 2 ph14=0 ph15=0 0 2 2 ph16=0 ph21=(360) 3;Nominal 0, adjust for any phase difference between pl1 and sp1 ph31=0 2 0 2 2 0 2 0