# 1 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" ;noesyhsqcetf3gp3d ;avance-version (02/07/15) ;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 ; using sensitivity improvement ;phase sensitive (t1) ;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2) ;using trim pulses in inept transfer ;with decoupling during acquisition ;(use parameterset NOESYHSQCETF3GP3D) ; ;A.L. Davis, J. Keeler, E.D. Laue & D. Moskau, J. Magn. Reson. 98, ; 207-216 (1992) ;A.G. Palmer III, J. Cavanagh, P.E. Wright & M. Rance, J. Magn. ; Reson. 93, 151-170 (1991) ;L.E. Kay, P. Keifer & T. Saarinen, J. Am. Chem. Soc. 114, ; 10663-5 (1992) ;J. Schleucher et al., Angew. Chem. 114(10), 1518 (1993) # 1 "/b/xwinnmr/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 $ # 24 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" 2 # 1 "/b/xwinnmr/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 $ # 25 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" 2 # 1 "/b/xwinnmr/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 $ # 26 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" 2 "p2=p1*2" "p22=p21*2" "d0=3u" "d10=3u" "d11=30m" "d12=20u" "d13=4u" "d26=1s/(cnst4*4)" "DELTA2=d26-p16-d13-4u" "DELTA=larger(p14,p22)+d0*2" "DELTA1=p16+d16+larger(p2,p14)+d10*2" aqseq 321 # 1 "mc_line 61 file /b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d expanding definition part of mc command before ze" ; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI F2->F1 define delay MCWRK define delay MCREST define loopcounter ST1CNT "ST1CNT = td1 / (2)" define loopcounter ST2CNT "ST2CNT = td2 / (2)" "MCWRK = 0.111111*d1" "MCREST = d1 - d1" # 61 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" 1 ze # 1 "mc_line 61 file /b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d expanding definition of mc command after ze" # 62 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" d11 pl16:f3 # 1 "mc_line 63 file /b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d expanding start label for mc command" 2 MCWRK do:f3 LBLSTS2, MCWRK * 4 LBLF2, MCWRK * 3 LBLSTS1, MCWRK LBLF1, MCREST # 64 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" 3 d12 pl3:f3 (p1 ph7) DELTA (p2 ph8) d0 (center (p14:sp3 ph1):f2 (p22 ph1):f3 ) d0 (p1 ph1):f1 d8 (p1 ph1):f1 d26 (center (p2 ph1) (p22 ph6):f3 ) d26 setnmr2|0 setnmr0|34|32|33 p28 ph1 d13 (p1 ph2) (p21 ph3):f3 d10 (center (p2 ph5) (p14:sp3 ph1):f2 ) d10 p16:gp1*EA d16 (p22 ph4):f3 DELTA1 (ralign (p1 ph1) (p21 ph4):f3 ) d26 (center (p2 ph1) (p22 ph1):f3 ) d13 p16:gp2 DELTA2 pl16:f3 4u setnmr2^0 setnmr0^34^32^33 go=2 ph31 cpd3:f3 # 1 "mc_line 107 file /b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d expanding mc command in line" MCWRK do:f3 wr #0 if #0 zd igrad EA lo to LBLSTS2 times 2 MCWRK id10 MCWRK ip3*2 MCWRK ip6*2 MCWRK ip31*2 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK ip7 MCWRK ip8 lo to LBLSTS1 times 2 MCWRK id0 lo to LBLF1 times ST1CNT # 110 "/b/xwinnmr/exp/stan/nmr/lists/pp/noesyhsqcetf3gp3d" exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph5=0 0 2 2 ph6=0 ph7=0 0 0 0 2 2 2 2 ph8=1 1 1 1 3 3 3 3 ph31=0 2 0 2 2 0 2 0 2 0 2 0 0 2 0 2 ;pl1 : f1 channel - power level for pulse (default) ;pl3 : f3 channel - power level for pulse (default) ;pl16: f3 channel - power level for CPD/BB decoupling ;sp3: f2 channel - shaped pulse 180 degree (adiabatic) ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p14: f2 channel - 180 degree shaped pulse for inversion (adiabatic) ;p16: homospoil/gradient pulse ;p21: f3 channel - 90 degree high power pulse ;p22: f3 channel - 180 degree high power pulse ;p28: f1 channel - trim pulse ;d0 : incremented delay (F1 in 3D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;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] ;d13: short delay [4 usec] ;d16: delay for homospoil/gradient recovery ;d26: 1/(4J)YH ;cnst4: = J(YH) ;in0: 1/(2 * SW(H)) = DW(H) ;nd0: 2 ;in10: 1/(2 * SW(X)) = DW(X) ;nd10: 2 ;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: echo-antiecho in F2 ;cpd3: decoupling according to sequence defined by cpdprg3 ;pcpd3: f3 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 ; 80 : 20.1 for C-13 ; 80 : 8.1 for N-15 ;for z-only gradients: ;gpz1: 80% ;gpz2: 20.1% for C-13, 8.1% for N-15 ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;preprocessor-flags-start ;1: for C-13 and N-15 labeled samples start experiment with ; option -DLABEL_CN (eda: ZGOPTNS) ;preprocessor-flags-end ;for older datasets use AQORDER : 3 - 2 - 1 ;$Id: noesyhsqcetf3gp3d,v 1.1.2.1 2002/07/16 12:59:38 ber Exp $