# 1 "/u/exp/stan/nmr/lists/pp/ko_cryo_HNCOCA3d.2" ; 3D HNCOCA ; created by Seizo Koshiba 13/11/2000 ; modified by Seizo Koshiba Nov 23 / 2002 ; modified by Seizo Koshiba Dec 3 / 2003 ; modified for xwinnmr v3.5 (f2:13C/f3:15N) ; Reference # 1 "/u/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance.incl ; ;avance-version (03/02/17) ;$Id: Avance1.incl,v 1.7.2.3 2003/02/25 14:48:47 ber Exp $ # 11 "/u/exp/stan/nmr/lists/pp/ko_cryo_HNCOCA3d.2" 2 # 1 "/u/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad.incl - include file for Gradient Spectroscopy ; ;avance-version (02/05/31) define list EA= ;$Id: Grad1.incl,v 1.7 2002/06/12 09:04:22 ber Exp $ # 12 "/u/exp/stan/nmr/lists/pp/ko_cryo_HNCOCA3d.2" 2 # 1 "/u/exp/stan/nmr/lists/pp/Delay.incl" 1 ;Delay.incl - include file for commonly used delays ; ;version 00/02/07 ;general delays define delay DELTA define delay DELTA1 define delay DELTA2 define delay DELTA3 define delay DELTA4 define delay DELTA5 define delay DELTA6 define delay DELTA7 define delay DELTA8 define delay TAU define delay TAU1 define delay TAU2 define delay TAU3 define delay TAU4 define delay TAU5 ;delays for centering pulses define delay CEN_HN1 define delay CEN_HN2 define delay CEN_HN3 define delay CEN_HC1 define delay CEN_HC2 define delay CEN_HC3 define delay CEN_HC4 define delay CEN_HP1 define delay CEN_HP2 define delay CEN_CN1 define delay CEN_CN2 define delay CEN_CN3 define delay CEN_CN4 define delay CEN_CP1 define delay CEN_CP2 ;loop counters define loopcounter COUNTER define loopcounter SCALEF define loopcounter FACTOR1 define loopcounter FACTOR2 define loopcounter FACTOR3 ;$Id: Delay.incl,v 1.11 2002/06/12 09:04:22 ber Exp $ # 13 "/u/exp/stan/nmr/lists/pp/ko_cryo_HNCOCA3d.2" 2 ;for 180 deg pulses "p2=p1*2" "p22=p21*2" ;"p15=p13*2" ;delay "d2=2.25m-p17-100u" "d6=5.4m" "d7=p7" "d9=11.0m-p7-9.5u" "d8=11.0m-d6-p7-9.5u" "d5=4.1m-p15-4u" ;delay Tc "d16=2.25m-p27-p5-124u" ; t1 (CA) increment ;"d0=in0*1.0-p13*2.0/3.14-p24/2.0" "d0=4u" ;phase 0/0 ; t2 (N) increment ND10=4 "d10=6.2m-d6-p7-p15/2.0-9.5u" ; Tn+t2(0)/2 phase 0/0 "d30=6.2m-p7-p15/2.0-9.5u" ; Tn-t2(0)/2 "in30=in10" ; Centering Delay "CEN_HN1=(p21-p1)/2" "CEN_HN2=(p22-p2)/2" "CEN_CN1=(p15-p22)/2" "CEN_CN2=(p24-p22)/2" "DELTA=d0*2-4u" "l3=td1/2" "l13=td2/2" "spoff0=0" "spoff1=0" "spoff2=0" "spoff3=0" "spoff4=bf2*((cnst21-cnst22)/1000000)" "spoff5=bf2*((cnst22-cnst21)/1000000)" 20u do:f1 20u do:f3 20u do:f2 1 15m ze 2 75m do:f3 3 30m 4 30m 5 30m 6 30m 20u pl1:f1 20u pl3:f3 20u pl2:f2 d1 fq=cnst21(bf ppm):f2 ;---------------- (p21 ph10):f3 20u setnmr2|0 setnmr0|34|32|33 ; 5u ; p16:gp0 ; homospoil 500u ; ; ;---------------- INEPT (1H -> 15N) (p1 ph1):f1 5u ; p17:gp1 ; echo 95u ; d2 (CEN_HN2 p2 ph1):f1 (p22 ph10):f3 5u ; p17:gp1 ; echo 95u ; d2 (p1 ph5):f1 ;---------------- 5u 20u pl5:f1 (p5 ph25:r):f1 ; 5u ; p18:gp2 ; homospoil 500u pl2:f2 ; ;---------------- INEPT (15N -> 13CO) (p21 ph10):f3 d6 pl7:f1 (p7 ph2):f1 5.5u 4u cpds1:f1 d8 (CEN_CN2 p22 ph10):f3 (p24:sp2 ph20):f2 d9 4u do:f1 5.5u (p7 ph3):f1 (p21 ph10):f3 ;---------------- ; 5u ; p19:gp3 ; homospoil 500u ; ; (p7 ph2):f1 5.5u 4u cpds1:f1 ;---------------- INEPT (13CO -> 13CA) (p14:sp3 ph22):f2 4u (p15:sp5 ph20):f2 d5 (p24:sp2 ph20):f2 4u (p15:sp5 ph20):f2 d5 (p14:sp3 ph21):f2 ;---------------- 4u do:f1 5.5u (p7 ph3):f1 ; 5u ; p28:gp7 ; homospoil 500u ; ; 30u fq=cnst22(bf ppm):f2 (p7 ph2):f1 5.5u 4u cpds1:f1 ;---------------- t1(CA) Constant Time evolution (p13:sp0 ph23):f2 d0 (CEN_CN2 p22 ph10):f3 (p24:sp4 ph20):f2 d0 (p15:sp1 ph20):f2 DELTA (p24:sp4 ph20):f2 4u (p13:sp0 ph20):f2 ;---------------- 4u do:f1 5.5u (p7 ph3):f1 ; 5u ; p29:gp8 ; homospoil 500u ; ; 30u fq=cnst21(bf ppm):f2 (p7 ph2):f1 5.5u 4u cpds1:f1 ;---------------- INEPT (13CA -> 13CO) (p14:sp3 ph21):f2 d5 (p15:sp5 ph20):f2 4u (p24:sp2 ph20):f2 d5 (p15:sp5 ph20):f2 4u (p14:sp3 ph20):f2 ;---------------- 4u do:f1 5.5u (p7 ph3):f1 ; 5u ; p25:gp4 ; homospoil 500u ; ; ;---------------- t2(N) Constant Time evolution (13CO -> 15N) (p21 ph15):f3 (p7 ph2):f1 5.5u 4u cpds1:f1 d30 (p15:sp5 ph20):f2 d7 5.5u 4u pl2:f2 d30 (CEN_CN2 p22 ph16):f3 (p24:sp2 ph20):f2 d10 4u pl2:f2 5.5u d7 d6 (p15:sp5 ph20):f2 d10 4u do:f1 5.5u (p7 ph3):f1 d6 (p21 ph10):f3 ;---------------- 5u ; p26:gp5 ; homospoil 500u ; 20u pl5:f1 (p5 ph26:r):f1 4u 20u pl1:f1 ;---------------- INEPT (15N -> 1H) (p1 ph1):f1 5u ; p27:gp6 ; echo 95u ; d16 pl5:f1 (p5 ph27:r):f1 4u 20u pl1:f1 (CEN_HN2 p2 ph1):f1 (p22 ph10):f3 4u 20u pl5:f1 (p5 ph27:r):f1 5u ; p27:gp6 ; echo 75u ; d16 pl13:f3 20u setnmr2^0 setnmr0^34^32^33 ;---------------- go=2 ph31 cpd3:f3 ; Acquisition 60m do:f3 wr #0 if #0 zd 15m ip23 lo to 3 times 2 15m id0 15m ip31*2 lo to 4 times l3 15m rd0 15m dp15 lo to 5 times 2 10m id10 10m dd30 10m ip31*2 lo to 6 times l13 30m setnmr2^0 setnmr0^34^32^33 exit ;phase cylce. ;for 1H ph1= 0 ph2= 1 ph3= 3 ph5= 1 ;for 15N ph10=0 ph11=1 ph14=0 ph15=0 0 2 2 ph16=0 0 0 0 2 2 2 2 ;for 13C ph20=0 ph21=1 ph22=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph23=0 2 ;for water-flip-back ph25=0 ph26=2 ph27=2 ;for receiver ph31= 0 2 2 0 0 2 2 0 2 0 0 2 2 0 0 2 ;parameter ;1H ;p1 : 1H 90deg hard pulse ~10u @pl1 ;p5 : 1H 90deg wfb pulse ~1m @pl5 ;p7 : 1H 90deg CPD pulse ~55u @pl7 ;pcpd1 : 1H CPD pulse ~55u @pl7 ;pl1 : 1H 90deg hard pulse @p1 ;pl5 : 1H 90deg pulse (phcor25,26,27) @p5 ;pl7 : 1H 90deg cpd pulse @p7 pcpd1 ;15N ;p21 : 15N 90deg pulse ~49u @pl3 ;pl3 : 15N 90deg pulse @p21 ;pcpd3 : 15N CPD pulse ~240u @pl13 ;pl13 : 15N CPD pulse ~240u @pcpd3 ;13C ;pl2 : 120dB ;p13 : 13CA 90deg pulse @sp0 rect ;sp0 : 13CA 90deg pulse @p13 rect ;p14 : 13CO 90deg pulse @sp3 rect ;sp3 : 13CO 90deg pulse @p14 rect ;p15 : 13CA 180deg pulse @sp1,5 rSNOB ;sp1 : 13CA 180deg pulse @p15 rSNOB ;p24 : 13CO 180deg pulse @sp2,4 Seduce ;sp2 : 13CO 180deg pulse @p24 Seduce ;sp4 : 13CO 180deg pulse @p24 offres Seduce ;sp5 : 13CA 180deg pulse @p15 offres rSNOB ;cnst21: CO chemical shift (offset, in ppm) ;cnst22: CA chemical shift (offset, in ppm) ;o2p: CA chemical shift (cnst22) ;gradient ;p16 : homospoil 500u gp0 ;p17 : echo 500u gp1 ;p18 : homospoil 1.8m gp2 ;p19 : homospoil 2.4m gp3 ;p25 : homospoil 2.0m gp4 ;p26 : homospoil 1.4m gp5 ;p27 : echo 500u gp6 ;p28 : homospoil 1.0m gp7 ;p29 : homospoil 1.0m gp8 ;gpz0 : 15% p16 ;gpz1 : 5% p17 ;gpz2 : 30% p18 ;gpz3 : 2% p19 ;gpz4 : 30% p25 ;gpz5 : 45% p26 ;gpz6 : 25% p27 ;gpz7 : -30% p28 ;gpz8 : 15% p29