# 1 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" # 1 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" ;noesiif3gpsi3d ;avance-version (00/02/07) ;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 ; using sensitivity improvement ;phase sensitive (t1) ;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2) ;with decoupling during acquisition ;using trim pulses in inept transfer ;using f3 - channel ;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) # 1 "/u/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance.incl ; ;version 00/07/27 ;switch between high and low stage oh H amplifier ;use 2H channel for lock or pulse (lockswitch) ;allow for 2H decoupling (lockswitch) ;turn lock-hold on/off (BSMS) ;switch between 1H or 19F output (H amplifier) ;select output for 19F (amplifier) ;homospoil on/off (BSMS) ;for Q-switch probes ;for mixing probe ;gating pulse for RX22, ADC and HPPR ;not active ;$Id: Avance1.incl,v 1.5 2000/08/16 13:26:55 ber Exp $ # 23 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" 2 # 1 "/u/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad.incl - include file for Gradient Spectroscopy ; ;avance-version (00/07/27) ;gradient pulse for gs-syntax ;blank/unblank gradient amplifier and turn lock-hold on/off ;blank/unblank gradient amplifier ;for RCB board (BSMS) define list EA= ;$Id: Grad1.incl,v 1.6 2000/10/16 11:47:19 ber Exp $ # 24 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" 2 # 1 "/u/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 1.10 2000/05/08 11:39:02 eng Exp $ # 25 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" 2 "p2=p1*2" "p22=p21*2" "d0=3u" "d10=3u" "d11=30m" "d12=20u" "d13=4u" "d26=1s/(cnst4*4)" "DELTA=p16+d16+p2+d10*2" "DELTA1=d13+p16+d16+4u" "DELTA2=p22+d0*2" "TAU=d8-p16-d16" "CEN_HN1=(p21-p1)/2" "CEN_HN2=(p22-p2)/2" aqseq 321 # 1 "mc_line 59 file /u/exp/stan/nmr/lists/pp/noesiif3gpsi3d expanding definition part of mc command before ze" ; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI define delay MCWRK define delay MCREST define loopcounter ST1CNT "ST1CNT = td1 / ( 2 ) " define loopcounter ST2CNT "ST2CNT = td2 / ( 2 ) " "MCWRK = 0.100000 * d11" "MCREST = d11 - d11" # 59 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" 1 ze d11 pl16:f3 # 1 "mc_line 61 file /u/exp/stan/nmr/lists/pp/noesiif3gpsi3d expanding start label for mc command" 2 MCWRK*2 do:f3 LBLSTS2, MCWRK*4 LBLF2, MCWRK*3 LBLSTS1, MCWRK LBLF1, MCREST # 62 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" 3 d12 d1 (p1 ph8) DELTA2 pl3:f3 (p2 ph9) d0 (p22 ph1):f3 d0 (p1 ph10) TAU setnmr2|0 setnmr0|34|32|33 p16:gp1 d16 (p1 ph11) d26 (CEN_HN2 p2 ph1) (p22 ph6):f3 d26 p28 ph1 d13 (p1 ph2) 3u p16:gp2 d16 (p21 ph3):f3 d10 p2 ph7 d10 p16:gp3*EA d16 (p22 ph4):f3 DELTA (CEN_HN1 p1 ph1) (p21 ph4):f3 d24 (CEN_HN2 p2 ph1) (p22 ph1):f3 d24 (CEN_HN1 p1 ph2) (p21 ph5):f3 d26 (CEN_HN2 p2 ph1) (p22 ph1):f3 d26 (p1 ph1) DELTA1 (p2 ph1) d13 p16:gp4 d16 pl16:f3 4u setnmr2^0 setnmr0^34^32^33 go=2 ph31 cpd3:f3 # 1 "mc_line 108 file /u/exp/stan/nmr/lists/pp/noesiif3gpsi3d expanding mc command in line " MCWRK do:f3 wr #0 if #0 zd igrad EA MCWRK ip5*2 lo to LBLSTS2 times 2 MCWRK id10 MCWRK ip3*2 MCWRK ip6*2 MCWRK ip31*2 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK ip8 MCWRK ip9 lo to LBLSTS1 times 2 MCWRK id0 lo to LBLF1 times ST1CNT # 109 "/u/exp/stan/nmr/lists/pp/noesiif3gpsi3d" exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 2 2 ph5=1 1 3 3 ph6=0 ph7=0 0 2 2 ph8=0 0 0 0 2 2 2 2 ph9=1 1 1 1 3 3 3 3 ph10=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 ph11=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 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 ;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 ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p16: homospoil/gradient pulse [1 msec] ;p21: f3 channel - 90 degree high power pulse ;p22: f3 channel - 180 degree high power pulse ;p28: f1 channel - trim pulse [1 msec] ;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 ;d24: 1/(4J)YH for YH ; 1/(8J)YH for all multiplicities ;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 : gp 3 : gp 4 ; 30 : 50 : 80 : 8.1 for N-15 ; 30 : 50 : 80 : 20.1 for C-13 ;for z-only gradients: ;gpz1: 30% ;gpz2: 50% ;gpz3: 80% ;gpz4: 8.1% for N-15, 20.1% for C-13 ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;$Id: noesiif3gpsi3d,v 1.6 2000/05/08 11:40:46 eng Exp $