# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" ;noesyhsqcf3gpwgx13d ;avance-version (07/08/10) ;NOESY-HSQC ;3D sequence with ; homonuclear correlation via dipolar coupling ; dipolar coupling may be due to noe or chemical exchange ; H-1/N-15 correlation via double inept transfer ; with N-15 (and C-13) filter in F1 ; ; H[(C12),N14] (t1) -> N15 (t2) -> H[N15] (t3) ; ;phase sensitive (t1) ;phase sensitive (t2) ;with decoupling during acquisition ;with gradient pulses in mixing time ;using flip-back pulses ;water suppression using watergate sequence ;using f3 - channel ;with C-13 refocussing in t1 ;(use parameterset ) ; ;A.L. Breeze, Prog. NMR Spectrosc. 36, 323-372 (2000) ;C. Zwahlen, P. Legault, S.J.F. Vincent, J. Greenblatt, R. Konrat & ; L.E. Kay, J. Am. Chem. Soc. 119 6711-6721 (1997) ;K. Ogura, H. Terasawa & F. Inagaki, J. Biomol. NMR 8, 492-498 (1996) ;J. Iwahara, J.M. Wojciak & R.T. Clubb, J. Biomol. NMR 19, 231-241 (2001) ; ;$CLASS=HighRes ;$DIM=3D ;$TYPE= ;$SUBTYPE= ;$COMMENT= prosol relations= # 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (09/07/02) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: pulseprogram,v 1.1 2021/02/11 15:51:48 bmrbsvc Exp $ # 38 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" 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: pulseprogram,v 1.1 2021/02/11 15:51:48 bmrbsvc Exp $ # 39 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" 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: pulseprogram,v 1.1 2021/02/11 15:51:48 bmrbsvc Exp $ # 40 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" 2 "p2=p1*2" "p22=p21*2" "d11=30m" "d26=1s/(cnst4*4)" "d28=1s/(cnst6*4)" "d29=1s/(cnst7*4)" "d0=5u" "d10=3u" "in0=inf1/2" "in10=inf2/2" "DELTA1=d26-p16-d16-p11-12u" "DELTA4=d26-p19-d16" "DELTA7=p8+d0*2+10u" "DELTA=larger(p2,p8)+d10*2" "DELTA2=d28-p19-d16-p15/2" "DELTA3=d26-d28-p15/2" "DELTA5=d29-p19-d16-p15/2" "DELTA6=d26-d29-p15/2" "TAU=d8-p16-d16" aqseq 321 # 1 "mc_line 79 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d 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 = 0.125000*d11" "MCREST = d11 - d11" dccorr # 79 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" 1 ze # 1 "mc_line 79 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d expanding definition of mc command after ze" # 80 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" d11 pl16:f3 # 1 "mc_line 81 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d expanding start label for mc command" 2 MCWRK do:f3 LBLSTS2, MCWRK LBLF2, MCWRK * 4 LBLSTS1, MCWRK LBLF1, MCWRK MCREST # 82 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" 3 d1 pl1:f1 (p1 ph1) p19:gp4 d16 pl3:f3 DELTA2 (p15:sp18 ph1):f2 DELTA3 (center (p2 ph2) (p22 ph1):f3 ) DELTA4 p19:gp4 d16 (p1 ph11) 4u pl2:f2 (p3 ph12):f2 (p21 ph12):f3 p16:gp5 d16 (p1 ph1) p19:gp6 d16 DELTA5 (p15:sp18 ph1):f2 DELTA6 (center (p2 ph2) (p22 ph1):f3 ) DELTA4 p19:gp6 d16 (p1 ph11) 4u pl2:f2 (p3 ph12):f2 (p21 ph12):f3 p16:gp7 d16 (p1 ph7) DELTA7 (p2 ph13) d0 gron0 5u groff (p8:sp13 ph1):f2 d0 gron0*-1 5u groff (p1 ph8) TAU setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 p16:gp8 d16 (p1 ph9) d26 (center (p2 ph1) (p22 ph1):f3 ) d26 (p1 ph2) 4u pl0:f1 (p11:sp1 ph10):f1 4u p16:gp1 d16 pl1:f1 (p21 ph3):f3 d10 (center (p2 ph6) (p8:sp13 ph1):f2 ) d10 (p22 ph4):f3 DELTA (p21 ph4):f3 p16:gp2 d16 pl0:f1 (p11:sp1 ph5):f1 4u 4u pl1:f1 (p1 ph1) 4u p16:gp3 d16 DELTA1 pl0:f1 (p11:sp1 ph5):f1 4u 4u pl1:f1 (center (p2 ph1) (p22 ph1):f3 ) 4u pl0:f1 (p11:sp1 ph5):f1 4u DELTA1 p16:gp3 d16 pl16:f3 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 go=2 ph31 cpd3:f3 # 1 "mc_line 201 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d expanding mc command in line" MCWRK do:f3 wr #0 if #0 zd ip3 lo to LBLSTS2 times 2 MCWRK id10 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK rp3 MCWRK ip7 MCWRK ip13 lo to LBLSTS1 times 2 MCWRK id0 lo to LBLF1 times ST1CNT MCWRK # 204 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcf3gpwgx13d" exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 2 2 ph5=2 ph6=0 0 2 2 ph7=0 0 0 0 2 2 2 2 ph8=0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 ph9=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph10=2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 ph11=2 ph12=0 1 2 3 ph13=1 1 1 1 3 3 3 3 ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 2 0 0 2 0 2 2 0 0 2 2 0 2 0 0 2 ;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) ;pl16: f3 channel - power level for CPD/BB decoupling ;sp1 : f1 channel - shaped pulse 90 degree ;sp13: f2 channel - shaped pulse 180 degree (adiabatic) ;spnam13: Crp60,0.5,20.1 ;sp18: 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 ;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic) ;p11: f1 channel - 90 degree shaped pulse ;p15: f2 channel - 180 degree shaped pulse for inversion (adiabatic) ;p16: homospoil/gradient pulse [1 msec] ;p19: gradient pulse 2 [500 usec] ;p21: f3 channel - 90 degree high power pulse ;p22: f3 channel - 180 degree high power pulse ;d0 : incremented delay (F1 in 3D) [5 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] ;d16: delay for homospoil/gradient recovery ;d26: 1/(4J(NH)) ;d28: 1/(4*J(CH)min) ;d29: 1/(4*J(CH)max) ;cnst4: = J(NH) ;cnst6: = 1J(CH)min ;cnst7: = 1J(CH)max ;inf1: 1/SW(H) = 2 * DW(H) ;inf2: 1/SW(X) = 2 * DW(X) ;in0: 1/(2 * SW(H)) = DW(H) ;nd0: 2 ;in10: 1/(2 * SW(N)) = DW(N) ;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: States-TPPI (or TPPI) in F2 ;cpd3: decoupling according to sequence defined by cpdprg3 ;pcpd3: f3 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 0 : gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : ; 2 : 5 : 50 : 30 : 3 : 11 : ; gp 6 : gp 7 : gp 8 ; 2 : 7 : 9 ;for z-only gradients: ;gpz0: 2% ;gpz1: 5% ;gpz2: 50% ;gpz3: 30% ;gpz4: 3% ;gpz5: 11% ;gpz6: 2% ;gpz7: 7% ;gpz8: 9% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;gpnam5: SINE.100 ;gpnam6: SINE.100 ;gpnam7: SINE.100 ;gpnam8: 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 p15:sp18 use either "Crp60,0.5,20.1" or adiabatic pulse ; with matched sweep ;for matched sweep use ; low to high field sweep, ; carrier shifted to center of spectrum (75 ppm) via spoffs18 ; d28 = d29 = 1/(4*J(CH) center of spectrum [1.696 ms]) ;$Id: pulseprogram,v 1.1 2021/02/11 15:51:48 bmrbsvc Exp $