; D Frueh ;time-shared HSQC-NOESY (for ultra high resolution at900) ;optimized for ILV (watergate in the end kills Ha if any are here) ;set td1 to twice the desired value (inteleaved) ;cnst13 for sw(N) ;cnst10: water ;cnst11: amide region ;modification with 45 phase shift on ph13 to exploit RD (referee's comment) #include #include #include "p2=p1*2" "p22=p21*2" "d0=3u" ;13C "d22=3u" ;15N "d2=1s/(cnst2*4)" ;JCH "d4=1s/(cnst3*4)" ;JNH "d10=3u" "d11=30m" "d12=20u" "TAU=d8-p11-30u" ;"TAU=d8" ;"TAU=d8-2*d4-p16-p21" "in0=inf1/2" "in10=inf2/2" if (l20 == 3) { "l10=td1*td2/8" } "DELTA=2*d0+p2" "DELTA1=d4-p16-d16" "DELTA2=d4-p16-d16-2*d10-p22" "DELTA3=1s/(cnst3*4)-1s/(cnst2*4)-p4/2" "DELTA4=1s/(cnst2*4)-p4/2-p16-d16" "DELTA5=1s/(cnst2*4)-p4/2-p16-d16-2*d10-p22" "DELTA14=2*d0+p2" "DELTA15=2*(2*d0+p2)+2*p3+2*d22+p4" "in22=1/(2*cnst13*bf3/1000000)-in0" aqseq 312 1 d11 ze d11 pl16:f3 pl12:f2 2 d11 do:f3 do:f2 3 d1 pl3:f3 pl2:f2 fq=cnst10(bf ppm):f1 50u UNBLKGRAD (p1 ph1):f1 DELTA1 p16:gp4 d16 (center (p2 ph1):f1 (p22 ph1):f3) DELTA3 (p4 ph1):f2 p16:gp4 d16 DELTA4 (p1 ph2):f1 3u p16:gp1 d16 3u 3u 3u (p21 ph3):f3 DELTA15 (p22 ph2):f3 d22 (p3 ph23):f2 ;CN delineate 13C and 15N DELTA14 ;for zero phase (p4 ph1):f2 ;for zero phase d0 (p2 ph5):f1 ; d0 (p3 ph4):f2 d22 (p21 ph4):f3 3u p16:gp2 d16 fq=cnst11(bf ppm):f1 3u 3u 3u p1 ph11 DELTA1 p16:gp5 d16 (center (p2 ph12):f1 (p22 ph1):f3) DELTA3 (p4 ph1):f2 p16:gp5 d16 DELTA5 d10 (center (p22 ph1):f3 (p4 ph1):f2) d10 (p1 ph13):f1 ;d4 ;d4 ;(p21 ph1):f3 ;p16:gp6 TAU fq=cnst10(bf ppm):f1 5u 5u pl0:f1 5u (p11:sp1 ph14:r):f1 5u 5u pl1:f1 5u (p1 ph2):f1 4u ;UNBLKGRAD p19:gp3 d16 pl1:f1 p27*0.231 ph17 d19*2 p27*0.692 ph17 d19*2 p27*1.462 ph17 d19 d19 p27*1.462 ph18 d19*2 p27*0.692 ph18 d19*2 p0*0.231 ph18 p19:gp3 d16 pl16:f3 pl12:f2 4u BLKGRAD if (l20 == 3) { go=2 ph31 cpd3:f3 cpd2:f2 d11 do:f3 do:f2 wr #0 if #0 zd d12 ip23*2 lo to 3 times 2 d12 ip3 d12 ip23 lo to 3 times 2 d12 ip11 lo to 3 times 2 d12 rp3 d12 rp23 d12 rp11 d12 rd0 d12 rd22 d12 rd10 90 d12 id0 d12 id22 lo to 90 times c d12 ivc 95 d12 id10 lo to 95 times c d12 ivc lo to 3 times l10 } else { go=2 ph31 cpd3:f3 cpd2:f2 d11 do:f3 do:f2 mc #0 to 2 F1I(ip23*2, 2) F1PH(ip3 & ip23, id0 & id22) F2PH(rd0 & rd22 & ip11 & rp3 & rp23, id10) } exit ph1=0 ph2=1 ph3=0 2 ph23=2 0 ph4=0 0 2 2 ph5=2 0 2 0 ph6=0 ph7=0 ph8=0 ph9=0 ph10=0 ph11=2 2 2 2 0 0 0 0 ;that reintroduces EDTA ph12=0 0 0 0 2 2 2 2 ;that kills it again if grad in TauM ph13=(8) 7 ph14=3 ph17=0 ph18=2 ph31=0 2 2 0 2 0 0 2 ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl12: f2 channel - power level for CPD/BB decoupling ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p21 : f2 channel - 90 degree high power pulse ;p22 : f2 channel - 180 degree high power pulse ;d0 : incremented delay (F1 in 3D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d2 : 1/((2J)XH) ;d7 : delay for inversion recovery ; optimize to give null for protons bound to C-12 ;d8 : mixing time ;d10: incremented delay (F2 in 3D) [3 usec] ;d11: delay for disk I/O [30 msec] ;cnst2: = J(CH) ;cnst3: = J(NH) ;cnst13: = SW(N) ;in0: 1/(2 * SW(X)) = DW(X) ;nd0: 2 ;in10: 1/(2 * SW(H)) = DW(H) ;nd10: 2 ;NS: 8 * n (ns will be ns*2 after processing (interleaved)) ;DS: 32 ;td1: number of experiments in F1*2 (Interleaved) ;td2: number of experiments in F2 ;FnMODE: States-TPPI (or TPPI) in F1 ;FnMODE: States-TPPI (or TPPI) in F2 ;cpd2: decoupling according to sequence defined by cpdprg2 ;pcpd2: f2 channel - 90 degree pulse for decoupling sequence ;for older datasets use AQORDER : 3 - 1 - 2 ;for z-only gradients: ;gpz1: 43% ;gpz2: -28% ;gpz3: 54.7% ;gpz4: 13% ;gpz5: -9% ;gpz6: 17% ;$Id: hmqcnoesybi3d,v 1.1 2002/06/12 09:04:43 ber Exp $