# 1 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" ;hsqcnoef3gpsi ;avance-version (05/09/23) ;2D H-1/X correlation via double inept transfer ; using sensitivity improvement ;for measuring H1-N15 NOEs ;phase sensitive using Echo/Antiecho-TPPI gradient selection ;with decoupling during acquisition ;using f3 - channel ;recording NONOE and NOE interleaved ;(use parameterset HSQCNOEF3GPSI) ; ;$CLASS=HighRes ;$DIM=2D ;$TYPE= ;$SUBTYPE= ;$COMMENT= ;$OWNER=Bruker prosol relations= # 1 "/opt/topspin2.0/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (06/02/20) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: Avance2.incl,v 1.14.4.1 2006/11/10 11:02:26 ber Exp $ # 23 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" 2 # 1 "/opt/topspin2.0/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad2.incl - include file for Gradient Spectroscopy ; for 1 ; ;avance-version (06/12/04) ; ;$CLASS=HighRes Incl ;$COMMENT= define list EA= ;$Id: Grad2.incl,v 1.8.2.2 2006/12/04 11:32:22 ber Exp $ # 24 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" 2 # 1 "/opt/topspin2.0/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 $ # 25 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" 2 "p2=p1*2" "p22=p21*2" "d0=3u" "d11=30m" "d12=20u" "d24=1s/(cnst4*cnst11)" "d25=1s/(cnst4*cnst12)" "d26=1s/(cnst4*4)" "p0=p1*4/3" "DELTA2=p16+d16+8u" "DELTA3=d25-p16-d16-4u" "DELTA1=d25-p16-d16-p2-d0*2" "l0=1" "l4=d1/(p0+5m)" "spoff1=0" "spoff13=bf2*((cnst21+cnst22)/2000000)-o2" # 1 "mc_line 60 file /opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi expanding definition part of mc command before ze" define delay MCWRK define delay MCREST define loopcounter ST1CNT "ST1CNT = td1 / (2 * 2)" "MCWRK = 0.142857*d11" "MCREST = d11 - d11" dccorr # 60 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" 1 ze # 1 "mc_line 60 file /opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi expanding definition of mc command after ze" # 61 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" d11 pl16:f3 # 1 "mc_line 62 file /opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi expanding start label for mc command" 2 MCWRK do:f3 LBLF1I1, MCWRK * 2 LBLSTS1, MCWRK * 4 LBLF1, MCREST # 63 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" 3 d12 if "l0 %2 == 1" { d1 50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 4u pl0:f1 (p11:sp1 ph1:r):f1 4u 4u pl1:f1 } else { 4 (p0 ph1) 5m lo to 4 times l4 4u 50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 } (p1 ph1) p16:gp1 d16 pl3:f3 (p21 ph8):f3 4u p16:gp2*-1*EA d16 DELTA3 (p22 ph6):f3 d0 (p2 ph9) d0 p16:gp2*EA d16 DELTA1 (center (p1 ph1) (p21 ph4):f3 ) d24 (center (p2 ph1) (p22 ph1):f3 ) d24 (center (p1 ph2) (p21 ph5):f3 ) d26 (center (p2 ph1) (p22 ph1):f3 ) d26 (p1 ph1) DELTA2 (p2 ph1) 4u p16:gp3 d16 pl16:f3 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 go=2 ph31 cpd3:f3 # 1 "mc_line 122 file /opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi expanding mc command in line" MCWRK do:f3 wr #0 if #0 zd iu0 lo to LBLF1I1 times 2 MCWRK igrad EA MCWRK ip5*2 lo to LBLSTS1 times 2 MCWRK id0 MCWRK ip6*2 MCWRK ip8*2 MCWRK ip31*2 lo to LBLF1 times ST1CNT # 125 "/opt/topspin2.0/exp/stan/nmr/lists/pp/hsqcnoef3gpsi" exit ph1=0 ph2=1 ph4=0 0 2 2 ph5=3 3 1 1 ph6=0 ph7=3 ph8=1 3 ph9=0 0 2 2 ph31=0 2 2 0 ;pl0 : 120dB ;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 ;sp1 : f1 channel - shaped pulse 90 degree (H2O on resonance) ;sp13: f2 channel - shaped pulse 180 degree (Ca and C=O, adiabatic) ;p0 : f1 channel - 120 degree high power pulse ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic) ;p11: f1 channel - 90 degree shaped pulse [1 msec] ;p16: homospoil/gradient pulse ;p21: f3 channel - 90 degree high power pulse ;p22: f3 channel - 180 degree high power pulse ;d0 : incremented delay (2D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d11: delay for disk I/O [30 msec] ;d12: delay for power switching [20 usec] ;d16: delay for homospoil/gradient recovery ;d24: 1/(4J)YH for YH ; 1/(8J)YH for all multiplicities ;d25: 1/(4J)YH for YH ; 1/(8J)YH for all multiplicities ;d26: 1/(4J(YH)) ;cnst4: = J(YH) ;cnst11: for multiplicity selection = 4 for NH, 8 for all multiplicities ;cnst12: for multiplicity selection = 4 for NH, 8 for all multiplicities ;cnst21: CO chemical shift (offset, in ppm) ;cnst22: Calpha chemical shift (offset, in ppm) ;l0: flag to switch between NOE and NONOE ;l4: loop for saturation sequence: = d1 / (p0 + 5m) ;in0: 1/(2 * SW(X)) = DW(X) ;nd0: 2 ;NS: 1 * n ;DS: >= 16 ;td1: total number of experiments ; = number of experiments for each 2D * 2 ;FnMODE: echo-antiecho ;cpd3: decoupling according to sequence defined by cpdprg3 ;pcpd3: f3 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 : gp 3 ; 50 : 80 : 16.2 for N-15 ;for z-only gradients: ;gpz1: 50% ;gpz2: 80% ;gpz3: 16.2% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;preprocessor-flags-start ;LABEL_CN: for C-13 and N-15 labeled samples start experiment with ; option -DLABEL_CN (eda: ZGOPTNS) ;preprocessor-flags-end ;use AU-program split [2] to separate NOE and NONOE data into ; different datasets ;$Id: hsqcnoef3gpsi,v 1.4.2.1 2006/06/08 18:30:37 ber Exp $