;hcacose_asp.bv ;3D CT-HCACO-SE ;Bruker Avance/Xwin-nmr version ; ;Modified for 2D 1H-13C' correlation of sidechain ;carboxyl (Asp, Glu) groups, 8/25/96 by Brian Volkman ;volkman@nmrfam.wisc.edu ; ;Yamazaki T. et al, 1994, JACS 116 10791-10792. ;Grzesiek and Bax, JMR B, 102, 103-106, 1993. ; ;Based on hcacose.fa by Frits Abildgaard ; ;Suitable grdprog and *.incl files are appended to ;the end of this pulse program, and should be removed and ;placed in appropriate /pp or /gp directory prior to execution ;of this pulse program. ; ; 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. ;BMRB Pulse Sequence Accession Number: 64 ; ;f1: 1H, f2: 15N, f3: 13C ;use gradient program bvhcaco_asp(m) for 3D and 2D CA-H exp., ; or bvhcaco_asp1d(m) for 2D CO-H exp and 1D. ; ;p3 90 Ca at pl3 ;p4 90 CO at pl4 ;p5 180 square CA at power sp5 offset Cb-CO (-140ppm) ;p8 180 square CO at power sp8 offset CO-Cb (140ppm) ;d1 relaxation delay ;l4 complex points in CA, max is d10/in10 (3.5m/in10) ;l6 complex points in CO ;in0=1/2SW(CO) ;in10=in30=1/2SW(CA) ;fq3list: CB,CO,CB (37, 177, 37 ppm) ; ;H1 Waltz-16 or DIPSI-2 PCPD1 at pl11 ;N15 Waltz-16 PCPD2 at pl12 ;C13 GARP or Waltz-16 PCPD3 at pl13 ;ds=2*N*ns, N=1, 2, ..., ns=8, 16, ... ; ;Recommendations for gradients: ;p15=500u ;p16=1.0m ;p17=250u ;p18=720u ;p19=180u ;cnst21=8G/cm ;cnst22=20G/cm ;cnst23=20G/cm ;cnst24=15G/cm ;cnst25=40G/cm ;cnst27/28=-+40G/cm ; ;#define ONE_D ;#define CA_EVOL #define CO_EVOL ;#define MESSERLE ; aqseq 321 ; define delay TAUA define delay TAUB define delay TAUB2 define delay TAUC define delay TAUD define delay TAUF define delay TAUG define pulse H1_90 define pulse H1_180 define pulse CA_90 define pulse CA_180 define pulse CAO_180 define pulse CO_90 define pulse CO_180 "d11=100m" "d12=10u" "d13=20u" "d6=p1" "d7=p3" "d16=300u" ;Gradient recovery delay "d28=p3-p1" "TAUA=2.0m-p15-d13" "TAUB=1.8m-p8-d12" "TAUB2=3.5m-TAUB-d12-d13*2" "TAUC=d17-p15-d13" "TAUD=3.5m-p8-d12" "d10=3.5m" "d30=3.5m-1.8m-d12-d13-p8-d12" "TAUF=1.8m-p18-d16-d13" "TAUG=500u" "d18=TAUG-p19-d13" "H1_90=p1" "H1_180=p1*2" "CA_90=p3" "CA_180=p3*2" "CAO_180=p5" "CO_90=p4" "CO_180=p8" #ifdef CO_EVOL "d0=(in0-CO_90*1.273-CAO_180-d12*2-d13*2)/2" #endif #define N_DEC_ON d13 \n d12 pl12:f2 \n d13 cpds2:f2 #define N_DEC_OFF d13 do:f2 #define H1_DEC_ON d13 \n d12 pl11:f1 \n d13 cpds1:f1 #define H1_DEC_OFF d13 do:f1 \n d12 pl1:f1 #include #include 1 ze d11 pl1:f1 pl12:f2 2 d11 do:f3 d13 d13 3 d13 d13 d13 d13 d13 d13 4 d13 d13 d13 5 d13 d13 d13 6 20u LOCKH_OFF d1 10up:c13 50u fq3:f3 20u LOCKH_ON (H1_90 ph0):f1 d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUA pl3:f3 (d28 H1_180 ph0):f1 (CA_180 ph0):f3 d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUA #ifdef MESSERLE (p1*55 ph0):f1 d13 #endif (H1_90 ph11):f1 d13 GRADIENT16(cnst22) ;1m, 20G/cm d16 pl11:f1 (CA_90 ph1):f3 d12 pl0:f3 (CO_180:sp8 ph0):f3 TAUB pl3:f3 H1_DEC_ON TAUB2 (CA_180 ph0):f3 d12 pl0:f3 (CO_180:sp8 ph0):f3 TAUD (CA_90 ph1):f3 H1_DEC_OFF GRADIENT16(cnst24) ;1m, 15G/cm d16 fq3:f3 N_DEC_ON H1_DEC_ON d12 pl4:f3 (CO_90 ph13):f3 d13 #ifdef CO_EVOL d0 d12 pl0:f3 (CAO_180:sp5 ph0):f3 d0 d13 d12 pl4:f3 #endif (CO_90 ph0):f3 d13 50u fq3:f3 d12 pl3:f3 (CA_90 ph14):f3 d10 (CA_180 ph15):f3 d12 pl0:f3 (CO_180:sp8 ph0):f3 d30 H1_DEC_OFF TAUF N_DEC_OFF GRADIENT18(cnst25) ;720u, 40G/cm d16 pl3:f3 (CA_90 ph16):f3 d6 (H1_90 ph0):f1 d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUC (CA_180 ph0):f3 (H1_180 ph0):f1 d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUC d7 (CA_90 ph1):f3 (H1_90 ph1):f1 d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUA (d28 H1_180 ph0):f1 (CA_180 ph0):f3 d13 GRADIENT15(cnst21) ;500u, 8G/cm TAUA (H1_90 ph0):f1 TAUG (H1_180 ph0):f1 d13 GRADIENT19(cnst27) ;180u, 40G/cm d18 pl13:f3 go=2 ph31 cpd3:f3 #ifdef ONE_D d11 do:f3 wr #0 #else d11 do:f3 wr #0 if #0 zd #endif #ifdef CA_EVOL d13 ip16 d13 ip16 lo to 3 times 2 d13 dd10 d13 id30 d13 ip14 d13 ip14 d13 ip31 d13 ip31 lo to 4 times l4 #endif #ifdef CO_EVOL d13 rd10 d13 rd30 d13 ip13 lo to 5 times 2 d13 id0 d13 ip31 d13 ip31 lo to 6 times l6 #endif 20u LOCKH_OFF exit ph0=0 ph1=1 ph2=2 ph3=3 ph11=1 ph13=0 2 ph14=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph15=0 0 1 1 2 2 3 3 ph16=0 ph31=0 2 2 0 0 2 2 0 2 0 0 2 2 0 0 2 ;**bvhcaco_asp.r** loop ns { p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p16 { (0) | (0) | (0)+(cnst22) } { (0) | (0) | (0) } p16 { (0) | (0) | (0)+(cnst24) } { (0) | (0) | (0) } p18 { (0) | (0) | (0)+(cnst25) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p19 { (0) | (0) | (0)+(cnst27) } { (0) | (0) | (0) } } loop ns { p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p16 { (0) | (0) | (0)+(cnst22) } { (0) | (0) | (0) } p16 { (0) | (0) | (0)+(cnst24) } { (0) | (0) | (0) } p18 { (0) | (0) | (0)+(cnst25) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p15 { (0) | (0) | (0)+(cnst21) } { (0) | (0) | (0) } p19 { (0) | (0) | (0)+(cnst28) } { (0) | (0) | (0) } } ;Gradfa.incl - include file for Gradient Spectroscopy ;avance-version ;version 94/06/27 #define GRADIENT15(ampl) p15:ngrad:c34 #define GRADIENT16(ampl) p16:ngrad:c34 #define GRADIENT17(ampl) p17:ngrad:c34 #define GRADIENT18(ampl) p18:ngrad:c34 #define GRADIENT19(ampl) p19:ngrad:c34 #define GRADIENT20(ampl) p20:ngrad:c34 #define BLKGRAD setnmr2^0 setnmr0^34 #define UNBLKGRAD setnmr2|0 setnmr0|34 #define BLKGRAMP setnmr0^34 #define UNBLKGRAMP setnmr0|34