# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" ;hsqcnoesyhsqcncgp4d ;avance-version (07/08/28) ;(N15)HSQC-NOESY-(C13)HSQC ;4D 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 (t2) ;phase sensitive using Echo/Antiecho-TPPI gradient selection (t3) ;with decoupling during acquisition ;using shaped pulses for inversion on f2 - channel ;(use parameterset ) ; ;(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, M. Schwendinger, M. Sattler, P. Schmidt, ; O. Schedletzky, S.J. Glaser, O.W. Sorensen & C. Griesinger, ; J. Biomol. NMR 4, 301-306 (1994) ) ; ;$CLASS=HighRes ;$DIM=4D ;$TYPE= ;$SUBTYPE= ;$COMMENT= prosol relations= # 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (07/08/21) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $ # 34 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 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 $ # 35 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 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 $ # 36 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 2 "p2=p1*2" "p4=p3*2" "p22=p21*2" "d4=1s/(cnst2*4)" "d11=30m" "d12=20u" "d26=1s/(cnst4*4)" "d21=3u" "d22=3u" "d23=3u" "in21=inf1/2" "in22=inf2/2" "in23=inf3/2" "DELTA=d4-larger(p2,p8)/2-4u" "DELTA1=d21*2+larger(p2,p8)" "DELTA2=d22*2+larger(p8,p22)" "DELTA3=d23*2+p16+d16+larger(p2,p22)" "DELTA4=p16+d16+8u+de-p1*2/3.1416" "DELTA5=d24-p19-d16-4u" "DELTA6=d4-p19-d16-larger(p2,p8)/2-4u" "TAU=d8-p16-d16" "spoff13=bf2*(cnst26/1000000)-o2" # 1 "mc_line 72 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding definition part of mc command before ze" ; dimension 4 aq-mode (F3) Echo-Antiecho (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)" define loopcounter ST3CNT "ST3CNT = td3 / (2)" "MCWRK = 0.071429*d11" "MCREST = d11 - d11" dccorr # 72 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 1 ze # 1 "mc_line 72 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding definition of mc command after ze" # 73 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" d11 pl12:f2 # 1 "mc_line 74 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding start label for mc command" 2 MCWRK * 2 do:f2 LBLSTS3, MCWRK * 3 LBLF3, MCWRK * 7 LBLSTS1, MCWRK LBLF1, MCWRK MCREST # 75 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 3 d12 pl9:f1 d1 cw:f1 ph29 4u do:f1 d12 pl1:f1 pl3:f3 50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 (p1 ph1) d26 (center (p2 ph2) (p22 ph1):f3 ) d26 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 (p1 ph2) p16:gp3 d16 (p21 ph3):f3 d21 (center (p2 ph9) (p8:sp13 ph1):f2 ) d21 (p22 ph1):f3 DELTA1 (p21 ph1):f3 (p1 ph4) d26 DELTA2 (center (p2 ph5) (p22 ph1):f3 ) d26 d22 (center (p8:sp13 ph1):f2 (p22 ph1):f3 ) d22 (p1 ph2) TAU p16:gp4 d16 (p1 ph1) DELTA 4u (center (p2 ph1) (p8:sp13 ph1):f2 ) 4u DELTA pl2:f2 (p1 ph2) 4u p16:gp5 d16 (p3 ph6):f2 d23 (center (p2 ph9) (p22 ph1):f3 ) d23 p16:gp1*EA d16 (p4 ph7):f2 DELTA3 (center (p1 ph1) (p3 ph7):f2 ) 4u p19:gp6 d16 DELTA5 (center (p2 ph1) (p4 ph1):f2 ) DELTA5 4u p19:gp6 d16 (center (p1 ph2) (p3 ph8):f2 ) 4u p19:gp7 d16 DELTA6 (center (p2 ph1) (p8:sp13 ph1):f2 ) 4u DELTA6 p19:gp7 d16 (p1 ph1) DELTA4 (p2 ph1) 4u p16:gp2 d16 pl12:f2 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 go=2 ph31 cpd2:f2 # 1 "mc_line 162 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding mc command in line" MCWRK do:f2 wr #0 if #0 zd igrad EA MCWRK ip8*2 lo to LBLSTS3 times 2 MCWRK id23 MCWRK ip6*2 MCWRK ip31*2 lo to LBLF3 times ST3CNT MCWRK rd23 MCWRK rd22 MCWRK rp4 MCWRK rp5 MCWRK ip3 MCWRK rp6 MCWRK rp31 lo to LBLSTS1 times 2 MCWRK id21 lo to LBLF1 times ST1CNT MCWRK # 167 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 0 0 2 2 2 2 ph5=1 1 1 1 3 3 3 3 ph6=0 0 2 2 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 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 ph29=0 ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl3 : f3 channel - power level for pulse (default) ;pl9 : f1 channel - power level for presaturation ;pl12: f2 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: f3 channel - 90 degree high power pulse ;p4: f3 channel - 180 degree high power pulse ;p8 : 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 ;d1 : relaxation delay; 1-5 * T1 ;d4 : 1/(4J(CH)) ;d8 : mixing time ;d11: delay for disk I/O [30 msec] ;d12: delay for power switching [20 usec] ;d16: delay for homospoil/gradient recovery ;d24: 1/(4J)CH for CH ; 1/(8J)CH for all multiplicities ;d26: 1/(4J(NH)) ;d21: incremented delay (F1 in 4D) [3 usec] ;d22: incremented delay (F2 in 4D) [3 usec] ;d23: incremented delay (F3 in 4D) [3 usec] ;cnst2: = J(CH) ;cnst4: = J(NH) ;cnst26: Call chemical shift (offset, in ppm) [101 ppm] ;inf1: 1/SW(N) = 2 * DW(N) ;inf2: 1/SW(H) = 2 * DW(H) ;inf3: 1/SW(C) = 2 * DW(C) ;NS: 8 * n ;DS: >= 16 ;td1: number of experiments in F1 ;td2: number of experiments in F2 ;td3: number of experiments in F3 ;FnMODE: States-TPPI (or TPPI) in F1 ;FnMODE: States-TPPI (or TPPI) in F2 ;FnMODE: echo-antiecho in F3 ;cpd2: decoupling according to sequence defined by cpdprg2 ;pcpd2: 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 ; 80 : 20.1 : -40 : -10 : 40 : 5 : -2 ;for z-only gradients: ;gpz1: 80% ;gpz2: 20.1% ;gpz3: -40% ;gpz4: -10% ;gpz5: 40% ;gpz6: 5% ;gpz7: -2% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;gpnam5: SINE.100 ;gpnam6: SINE.100 ;gpnam7: SINE.100 ;set pl9 to 120dB when presaturation is not required ; use 75 - 80dB to reduce radiation damping ;$Id: hsqcnoesyhsqcncgp4d,v 1.1.2.1 2007/09/14 16:17:35 ber Exp $