;cbcaconhse.fa ;3D CBCA(CO)NH - Gradient enhanced. ;Grzesiek and Bax, J. Am. Chem. Soc., 114, 6291-6293 (1992) ;Muhandiran and Kay, J. Magn. Reson. B 103, 203-216 (1994) ;Bruker Avance/Xwin-nmr version ;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu) ; ; $Id: cbcaconhse.fa,v 1.2 1999/08/01 08:11:04 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 or 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) ;Gradient program: facbcaconhse ;o1p: 4.7ppm, ;o2p: 118ppm, ;o3p: use fq3list facbcaconh.C: CAB,CA (43ppm, 56ppm) ; ;d1: relaxation delay=d1+0.1s ;p1: 90 H1 at pl1 ;p2: 90 N15 at pl2 ;p3 90 Cab at pl3 (for 90 Cab) ;p6 90 Cab at pl6 (for 180 Cab) ;p4 90 Ca at pl4 ;p5 180 CO SEDUCE1 shape at power sp5, offset CO-Cab ;p7 90 CO square shaped at power sp7 offset CO-Ca ;p8 180 CO square shaped at power sp8 offset CO-Ca ; ;H1 Waltz-16x or DIPSI-2x (cpdprg1), using p90 (PCPD1) at pl11 ;N15 Waltz-16 (cpdprg2), using p90 (PCPD2) 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; max. is (d10/in10)+1 ; Process as Echo-AntiEcho ; N15 chemical shift axis is reversed: set reverse to true. ;C13 evolution: ; in0=in20, SW(C)=1/2*in0 ; l6 complex points, max. is (d20/in20)+1 ; Process as States (although data is acquired as States-TPPI) ;ns=4, 8, ..., ds=2*m*ns, m=1, 2, ... ; ;Recommendations for gradients: ;p15=500u ;p16=1m ;p17=250u ;p18=1.250m ;p19=125u ;p20=1.5m ;cnst21=12% (8G/cm) ;cnst22=29% (20G/cm) ;cnst23=22% (15G/cm) ;cnst24=29% (20G/cm) ;cnst25=44% (30G/cm) ;cnst26=20% (20G/cm) ;cnst27/28=-/+44% (-/+30G/cm) ;cnst30=1.800 (adjust) for magic angle gradient (Gx/Gz) or 0 for Gz only. ; ;#define ONE_D ;uncomment for 1D exp, set cnst28=cnst27 #define N15_EVOL ;uncomment for 3D and H1-N15 2D exp #define C13_EVOL ;uncomment for 3D and H1-C13 2D exp, set cnst28=cnst27 ;#define SHORT_P2 ;uncomment if p8/2 > 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 C13_EVOL #endif ; aqseq 321 ; define delay TAUA define delay TAUB define delay TAUC define delay TAUD define delay TAUE define delay TAUF define delay TAUG define delay TAUH define delay T define delay C_H_N define delay C_H_CAB define delay C_N_CO define pulse H1_180 define pulse CAB_180 define pulse CA_180 define pulse CO_180 define pulse N15_180 "d0=3u" "d20=3.6m-p5-p17-d16-d13-d12" "d10=12.4m" "d30=12.4m-5.5m-d13*2" "d6=p1" "d7=p2" "d11=100m" "d12=10u" "d13=5u" "d14=40u" "d16=200u" "d17=50u" "d23=d13*2+d12" "d24=p4*2" "TAUA=1.8m-p15-d13" "TAUB=1.1m-p5-p17-d16-d13" "TAUC=3.6m-p5-d13*3-d12*2" "TAUD=4.4m" "TAUE=12.4m" "TAUF=5.5m-p18-d12-d13*2-d16" "TAUG=2.3m-p15" "TAUH=500u" "d18=TAUH-p19-d13" "T=d20" "H1_180=p1*2" "CAB_180=p6*2" "CA_180=p4*2" "CO_180=p8" "N15_180=p2*2" "C_H_CAB=p6-p1" "C_H_N=p2-p1" #ifdef SHORT_P2 "C_N_CO=p8*0.5-p2" #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 d13 cpds1:H #define H1_DEC_OFF d13 do:H \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 d14 6 20u LOCKH_OFF d1 pl1:H pl2:N ;--------------------- carbon freq. on Cab --------------- 50u fq3:C (p3 ph0):C 20u LOCKH_ON d13 GRADIENT15(cnst21) ;500u, 8G/cm d16 ;--------------------- INEPT to Cab ---------------------- (p1 ph0):H d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUA pl6:C (C_H_CAB H1_180 ph0):H (CAB_180 ph0):C d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUA (p1*55 ph0):H d13 (p1 ph1):H d13 GRADIENT16(cnst22) ;1m, 20G/cm d16 pl3:C (p3 ph11):C ;--------------------- Constant time Cab evolution -------- d0 d12 pl0:C (p5:sp5 ph0):C (N15_180 ph0):N d13 GRADIENT17(cnst24) ;250u, 20G/cm d16 (T) (TAUB H1_180 ph0):H d12 pl6:C (CAB_180 ph0):C 3u d20 GRADIENT17(cnst24) ;250u, 20G/cm d16 d12 pl0:C (p5:sp5 ph0):C d13 d12 pl3:C ;----------------------- INEPT to C' --------------------- (p3 ph0):C H1_DEC_ON d12 pl0:C (p5:sp5 ph0):C d13 TAUC pl6:C (CAB_180 ph12):C d12 pl0:C (p5:sp5 ph0):C d13 TAUC pl3:C d23 (p3 ph0):C H1_DEC_OFF GRADIENT16(cnst23) ;1m, 15G/cm d17 H1_DEC_ON ;----------------------- Switch frequency to Ca -------------- d16 fq3:C ;----------------------- INEPT to N -------------------------- d12 pl0:C (p7:sp7 ph13):C d13 d12 pl4:C (TAUE) (TAUD CA_180 ph0):C d12 pl0:C d24 (CO_180:sp8 ph0):C (TAUE) (N15_180 ph0):N d12 pl4:C (CA_180 ph0):C d13 d12 pl0:C (p7:sp7 ph0):C H1_DEC_OFF GRADIENT20(cnst26) ;1.5m, 20G/cm d17 H1_DEC_ON d16 pl0:C SED_ON (p2 ph14):N d10 SED_OFF d12 pl0:C #ifdef SHORT_P2 (CO_180:sp8 ph0):C (C_N_CO N15_180 ph15):N #else (CO_180:sp8 ph0):C (N15_180 ph15):N #endif SED_ON d30 H1_DEC_OFF TAUF SED_OFF d13 GRADIENT18(cnst25) ;1.25m, 30G/cm d16 (p2 ph16):N d6 (p1 ph0):H d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUG (N15_180 ph0):N (H1_180 ph0):H d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUG d7 (p2 ph1):N (p1 ph1):H d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUG (C_H_N H1_180 ph0):H (N15_180 ph0):N d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUG (p1 ph0):H TAUH (H1_180 ph0):H d13 GRADIENT19(cnst27) ;125u, -+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 C13_EVOL d14 ip11 lo to 5 times 2 d14 id0 d14 dd20 d14 ip31 d14 ip31 lo to 6 times l6 #endif 20u LOCKH_OFF exit ph0=0 ph1=1 ph2=2 ph3=3 ph11=0 ph12=0 2 ph13=0 2 ph14=0 ph15=0 0 2 2 ph16=0 ph31=0 2