# 1 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" ;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 ; ;S.M. Pascal, D.R. Muhandiram, T. Yamazaki, J.D. Forman-Kay & L.E. Kay, ; J. Magn. Reson. B103, 197 - 201 (1994) ;(09/29/06) Modified by SB to include CO Decoupling and phase cycling ;switched to eliminate axial peaks in F1 with >4 scans. ;Powerlevel (pl12) for Adiabatic decoupling using CHIRP95 = power level for garp decoupling + 3dB ;Reduce power used for 15N Garp Decoupling to ~250 us for PCPD3 (800-900 MHz) ;Reduce power used for 15N Garp Decoupling to ~300 us for PCPD3 (500-700 MHz) ;SEQLIB Macro should not be used ;(09/14/09) Modified by Alexander Eletsky ;Removed CO decoupling ;Removed refocussed echo in t1 to improve broadband performance over Cali and Caro ;Evolution in t1 starts at half-dwell always! ;NS 4 phase cycle ;Restored p19 gradient pulse (was set to p16) ;BLKGRAD active during t1 and mix, inactive during acquisition ;Needed to prevent lock signal from being disturbed by simultaneous 15N/13C decoupling ;1 adiabatic decoupling sideband suppression option added ;E. Kupce JMR 129 p219 (1997) ; ;$CLASS=HighRes ;$DIM=3D ;$TYPE= ;$SUBTYPE= ;$COMMENT= prosol relations= # 1 "/opt/topspin/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (07/08/21) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $ # 45 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" 2 # 1 "/opt/topspin/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 $ # 46 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" 2 # 1 "/opt/topspin/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 $ # 47 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" 2 "p2=p1*2" "p4=p3*2" "p22=p21*2" "d4=1s/(cnst2*4)" "d0=3u" "d11=30m" "d12=20u" "d26=1s/(cnst4*4)" "p16=1m" "p19=3m" "p29=4m" "in0=inf1/2" "in10=inf2/2" "in29=in30-in10" "d10=in10/2-p1-(p3*2)/3.14159" "d29=in30/2-(p21*2)/3.14159-p3-d10-p1" "DELTA=d1-d11*4-6m" "DELTA1=d4-p18-d16-p8/2" "DELTA2=d26-d4" ;"DELTA4=d0*2+larger(p8,p22)" "DELTA4=d0*2+larger(p8,(p22*2+2u))" "TAU=d8-p19*2-d16*2-p3-50u" "TAU2=(p8-p2)/2" ;"TAU3=(p8-p22)/2" "TAU3=(p8-p22*2-2u)/2" "DELTA5=d26-d4-p8/2-p13/l0" "DELTA6=p13/l0" "DELTA7=d26-p18-d16-p13*((l0+1)/l0)-p3*2-p21*2-d12-15u" "DELTA8=d4-p18-d16-p8/2+p13/l0" "spoff13=0" aqseq 321 # 1 "mc_line 107 file /opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4 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 = 0.083333*d11" "MCREST = d11 - d11" dccorr # 107 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" 1 ze # 1 "mc_line 107 file /opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4 expanding definition of mc command after ze" # 108 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" d11 pl12:f2 pl16:f3 # 1 "mc_line 109 file /opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4 expanding start label for mc command" 2 MCWRK * 2 do:f2 do:f3 LBLSTS2, MCWRK * 2 LBLF2, MCWRK * 6 LBLSTS1, MCWRK LBLF1, MCWRK MCREST # 110 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" 3 d12 pl10:f1 pl2:f2 pl3:f3 p17 ph1 p17*2 ph2 50u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 d1 pl1:f1 pl0:f2 pl3:f3 50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 p16:gp7 d16 50u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 (p1 ph3) DELTA4 (p2 ph8) d0 ;(center (p8:sp13 ph1):f2 (p22 ph1):f3 ) (center (p8:sp13 ph1):f2 (p21 ph1 1u p22 ph2 1u p21 ph1):f3 ) d0 (p1 ph1) TAU ;setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 p19:gp1 d16 pl2:f2 pl1:f1 (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 p21 ph1 1u p22 ph2 1u p21 ph1 TAU3):f3 ) DELTA2 DELTA1 4u p16:gp3 d16 (p1 ph2) 4u p29:gp4 d16 pl2:f2 (p21 ph5):f3 d29 (p3 ph4):f2 d10 (p2 ph1) d10 (p3 ph1):f2 d29 (p21 ph1):f3 4u p19:gp5 d16 ; "l13=(nsdone%cnst63)+cnst63-1" "l13=(nsdone%l0)+l0-1" "l9=l0-(nsdone%l0)" "l12=nsdone%l0" (p1 ph6) 4u p18:gp6 d16 pl0:f2 DELTA8 ;"DELTA8=d4-p16-d16-p8/2+p13/ns" 4 DELTA6 ;"DELTA6=p13/ns" lo to 4 times l13 (p8:sp13 ph1):f2 5 DELTA6 ;"DELTA6=p13/ns" lo to 5 times l9 DELTA5 ;"DELTA5=d26-d4-p8/2-p13/ns" (center (p2 ph1):f1 (p21 ph1 1u p22 ph2 1u p21 ph1):f3 ) 6 DELTA6 DELTA6 lo to 6 times l9 DELTA7 ;"DELTA7=d4-p16-d16-p13*((ns+1)/ns)-p3*2-p21*2-p61-d12-13u" p18:gp6 d16 pl2:f2 (p3 ph1 3u p3 ph7):f2 4u pl0:f2 (p13:sp26 ph1):f2 ;seadpw 4u 4u pl12:f2 4u cpds2:f2 if "l12<=0" goto 8 7 DELTA6 DELTA6 lo to 7 times l12 8 (p21 ph1 3u p21 ph7):f3 d12 pl16:f3 (p61 ph6) go=2 ph31 cpd3:f3 # 245 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" # 1 "mc_line 246 file /opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4 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 rp4 MCWRK rp5 MCWRK ip3 MCWRK ip8 lo to LBLSTS1 times 2 MCWRK id0 lo to LBLF1 times ST1CNT MCWRK # 249 "/opt/topspin/exp/stan/nmr/lists/pp/user/AC_noesyhsqcgpsm3d.2_4" d11 setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 exit ph1=0 ph2=1 ph3=0 0 2 2 ph4=0 2 ph5=2 0 ph6=0 ph7=0 0 2 2 ph8=1 1 3 3 ph9=0 0 ph31=0 2 2 0 ;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) ;sp26: f2 channel - 1 shaped pulse (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) ;p13: f2 channel - 1 pulse ;p16: homospoil/gradient pulse [1 msec] ;p17: f1 channel - trim pulse [4 msec] ;p18: homospoil/gradient pulse [1 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] ;p61: H2O flipback pulse ;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) ;cnst63: = 1 steps ;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: 4 * 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 : gp 7 ; 30 : 40 : 16 : 60 : -36 : 16 : 50 ;for z-only gradients: ;gpz1: 30% ;gpz2: 40% ;gpz3: 16% ;gpz4: 60% ;gpz5: -36% ;gpz6: 16% ;gpz7: 50% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;gpnam5: SINE.100 ;gpnam6: SINE.100 ;gpnam7: SINE.100 ;$Id: noesyhsqcgpsm3d.2,v 1.2 2004/01/22 14:58:58 ber Exp $