# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" ;noesyhsqcgpsm3d.2 ;avance-version (04/01/07) ;NOESY-HSQC ;3D sequence with ; homonuclear correlation via dipolar coupling ; dipolar coupling may be due to noe or chemical exchange. ; H-1/X correlation via double inept transfer ; simultaneous evolution of C-13 and N-15 chemical shift in t2 ;phase sensitive (t1) ;phase sensitive (t2) ;with decoupling during acquisition ;using shaped pulses for inversion on f2 - channel ;(use parameterset NOESYHSQCGPSM3D.2) ; ;S.M. Pascal, D.R. Muhandiram, T. Yamazaki, J.D. Forman-Kay & L.E. Kay, ; J. Magn. Reson. B103, 197 - 201 (1994) prosol relations= # 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (07/08/21) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $ # 22 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 2 # 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad2.incl - include file for Gradient Spectroscopy ; for 1 ; ;avance-version (07/01/17) ; ;$CLASS=HighRes Incl ;$COMMENT= define list EA= ;$Id: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $ # 23 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 2 # 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Delay.incl" 1 ;Delay.incl - include file for commonly used delays ; ;version 00/02/07 ; ;$CLASS=HighRes Incl ;$COMMENT= ;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 1.12 2005/11/10 12:16:58 ber Exp $ # 24 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 2 "p2=p1*2" "p4=p3*2" "p22=p21*2" "d4=1s/(cnst2*4)" "d0=3u" "d11=30m" "d12=20u" "d26=1s/(cnst4*4)" "d10=3u" "d29=3u" "DELTA5=p2*2+p3*2+p4+d10*4+d29*2" "DELTA6=d10*2+p2" "p16=1m" "p19=3m" "p29=4m" "in29=in30-in10" "DELTA=d1-d11*4-6m" "DELTA1=d4-p16-d16-p8/2" "DELTA2=d26-d4" "DELTA3=d4-p16-d16-p8/2-p3*2-p21*2-d12-10u" "DELTA4=d0*2+larger(p8,p22)" "TAU=d8-p19*2-d16*2-p3" "TAU2=(p8-p2)/2" "TAU3=(p8-p22)/2" ;"spoff13=0" aqseq 321 # 1 "mc_line 82 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding definition part of mc command before ze" ; dimension 3 aq-mode (F2) States-TPPI (F1) States-TPPI F2->F1 define delay MCWRK define delay MCREST define loopcounter ST1CNT "ST1CNT = td1 / (2)" define loopcounter ST2CNT "ST2CNT = td2 / (2)" "MCWRK = 0.100000*d11" "MCREST = d11 - d11" dccorr # 82 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 1 ze # 1 "mc_line 82 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding definition of mc command after ze" # 83 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" d11 pl12:f2 pl16:f3 # 1 "mc_line 84 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding start label for mc command" 2 MCWRK * 2 do:f2 do:f3 LBLSTS2, MCWRK * 2 LBLF2, MCWRK * 4 LBLSTS1, MCWRK LBLF1, MCWRK MCREST # 85 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 3 d12 pl10:f1 p17 ph1 p17*2 ph2 d1 pl1:f1 pl0:f2 pl3:f3 (p1 ph3) DELTA4 (p2 ph8) d0 (center (p8:sp13 ph1):f2 (p22 ph1):f3 ) d0 (p1 ph1) TAU setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 p19:gp1 d16 pl2:f2 (p3 ph1):f2 4u p16:gp2 d16 (p1 ph1) 4u p16:gp3 d16 pl0:f2 DELTA1 (lalign (DELTA2 TAU2 p2 ph1 TAU2) (p8:sp13 ph1):f2 (DELTA2 TAU3 p22 ph1 TAU3):f3 ) DELTA2 DELTA1 4u p16:gp3 d16 (p1 ph2) 4u p29:gp4 d16 pl2:f2 # 137 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" (p21 ph5):f3 d29 (p3 ph4):f2 d10 (p2 ph1) d10 (p4 ph9):f2 DELTA6 (p3 ph1):f2 d29 (p22 ph9):f3 DELTA5 (p21 ph1):f3 4u p16:gp5 d16 (p1 ph6) 4u p16:gp6 d16 pl0:f2 DELTA1 (lalign (DELTA2 TAU2 p2 ph1 TAU2):f1 (p8:sp13 ph1):f2 (DELTA2 TAU3 p22 ph1 TAU3):f3 ) DELTA2 DELTA3 4u p16:gp6 d16 pl2:f2 (p3 ph1 3u p3 ph7):f2 (p21 ph1 3u p21 ph7):f3 d12 pl12:f2 pl16:f3 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 (p1 ph6) go=2 ph31 cpd2:f2 cpd3:f3 # 1 "mc_line 179 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding mc command in line" MCWRK do:f2 do:f3 wr #0 if #0 zd ip4 MCWRK ip5 lo to LBLSTS2 times 2 MCWRK id10 MCWRK id29 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK rd29 MCWRK ip3 MCWRK ip8 lo to LBLSTS1 times 2 MCWRK id0 lo to LBLF1 times ST1CNT MCWRK # 187 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" exit ph1=0 ph2=1 ph3=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph4=0 2 ph5=2 0 ph6=0 0 1 1 2 2 3 3 ph7=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph8=1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 ph9=0 0 1 1 ph10=2 ph31=0 2 1 3 2 0 3 1 2 0 3 1 0 2 1 3 ;pl0 : 120dB ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl3 : f3 channel - power level for pulse (default) ;pl10: f1 channel - power level for TOCSY-spinlock (trim pulse) ;pl12: f2 channel - power level for CPD/BB decoupling ;pl16: f3 channel - power level for CPD/BB decoupling ;sp13: f2 channel - shaped pulse 180 degree (adiabatic) ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p3 : f2 channel - 90 degree high power pulse ;p4 : f2 channel - 180 degree high power pulse ;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic) ;p16: homospoil/gradient pulse [1 msec] ;p17: f1 channel - trim pulse [4 msec] ;p19: gradient pulse 2 [3 msec] ;p21: f3 channel - 90 degree high power pulse ;p22: f3 channel - 180 degree high power pulse ;p29: gradient pulse 3 [4 msec] ;d0 : incremented delay (F1 in 3D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d4 : 1/(4J(CH)) ;d8 : mixing time ;d10: incremented delay (F2 in 3D) [3 usec] ;d11: delay for disk I/O [30 msec] ;d12: delay for power switching [20 usec] ;d16: delay for homospoil/gradient recovery ;d26: 1/(4J(NH)) ;d29: decremented delay (F2 in 3D) [3 usec] ;cnst2: = J(CH) ;cnst4: = J(NH) ;in0: 1/(2 * SW(H)) = DW(H) ;nd0: 2 ;in10: 1/(2 * SW(C)) = DW(C) ;nd10: 2 ;in29: in30 - in10 ;in30: 1/(2 * SW(N)) = DW(N) ;NS: 8 * n ;DS: >= 16 ;td1: number of experiments in F1 ;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 ;cpd3: decoupling according to sequence defined by cpdprg3 ;pcpd2: f2 channel - 90 degree pulse for decoupling sequence ;pcpd3: f3 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : gp 6 ; 30 : 40 : 16 : 60 : -36 : 16 ;for z-only gradients: ;gpz1: 30% ;gpz2: 40% ;gpz3: 16% ;gpz4: 60% ;gpz5: -36% ;gpz6: 16% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;gpnam5: SINE.100 ;gpnam6: SINE.100 ;$Id: noesyhsqcgpsm3d.2,v 1.2 2004/01/22 14:58:58 ber Exp $