# 1 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" # 1 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" ;hccconhgp3d2 ;avance-version (00/10/05) ;HCCCONH ;3D sequence with ; inverse correlation for triple resonance using ; dipsi2 and inept transfer steps ; ; F1(H,t1) -> F2(Caliph. -> Ca) -> F2(C=O) -> F3(N,t2) -> F1(H,t3) ; ;on/off resonance Ca and C=O pulses using shaped pulse ;phase sensitive (t1) ;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2) ;using semi-constant time in t1 ;using constant time in t2 ;(use parameterset HCCCONHGP3D2) ; ;G.T. Montelione, B.A. Lyons, S.D. Emerson & M. Tashiro, ; J. Am. Chem. Soc. 114, 10974-75 (1992) ;S. Grzesiek, J. Anglister & A. Bax, J. Magn. Reson. 101 B, 114-9 (1993) ;B.A. Lyons & G.T. Montelione, J. Magn. Reson. 101 B, 206-9 (1993) ;T.M. Logan, E.T. Olejniczak, R.X. Xu & S.W. Fesik, ; J. Biomol. NMR 3, 225-31 (1993) ;R.T. Clowes, W. Boucher, C.H. Hardman, P.J. Domaille & E.D. Laue, ; J. Biomol. NMR 3, 349-354 (1993) ;T. Carlomagno, M. Maurer, M. Sattler, M.G. Schwendinger, S.J. Glaser ; & C. Griesinger, J. Biomol. NMR 8, 161-170 (1996) prosol relations= # 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 $ # 32 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 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 $ # 33 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 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 $ # 34 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 2 "d10=3u" "d11=30m" "d12=20u" "d13=4u" "d3=1.1m" "d4=1.7m" "d21=3.6m" "d22=4.4m" "d23=12.4m" "d25=5.5m" "d26=2.3m" "d0=d4" "d20=3u" "d29=d4+p14+d20" "d30=d23-d25-d13-p26" "FACTOR1=d29*10000000*2/td1" "in29=FACTOR1/10000000" "in20=in0-in29" "in30=in10" "DELTA1=d21+d13-d12*2" "DELTA2=d23+4u-d22" "DELTA3=d23-d10-p14" "DELTA4=d25-p16-d16" "DELTA5=p16+d16+7u" "CEN_HN1=(p21-p1)/2" "CEN_HN2=(p22-p2)/2" "CEN_HC2=(p14-p2)/2" "CEN_CN2=(p14-p22)/2" aqseq 321 # 1 "mc_line 82 file /u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp 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 = 0.076923 * d11" "MCREST = d11 - d11" # 82 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 1 ze d11 pl16:f3 # 1 "mc_line 84 file /u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp expanding start label for mc command" 2 MCWRK*2 do:f3 LBLSTS2, MCWRK*5 LBLF2, MCWRK*3 LBLSTS1, MCWRK*3 LBLF1, MCREST # 85 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 3 d11 fq2:f2 d1 50u setnmr2|0 setnmr0|34|32|33 d12 pl1:f1 pl0:f2 pl3:f3 (p1 ph3):f1 d0 (p14:sp3 ph1):f2 d20 (p2 ph1):f1 d29 (p1 ph2):f1 4u p16:gp1 d16 (p13:sp2 ph4):f2 d3 4u (CEN_HC2 p2 ph1):f1 (p14:sp3 ph1):f2 4u d3 pl15:f2 ;begin DIPSI2 7 (p9*3.556 ph23):f2 (p9*4.556 ph25):f2 (p9*3.222 ph23):f2 (p9*3.167 ph25):f2 (p9*0.333 ph23):f2 (p9*2.722 ph25):f2 (p9*4.167 ph23):f2 (p9*2.944 ph25):f2 (p9*4.111 ph23):f2 (p9*3.556 ph25):f2 (p9*4.556 ph23):f2 (p9*3.222 ph25):f2 (p9*3.167 ph23):f2 (p9*0.333 ph25):f2 (p9*2.722 ph23):f2 (p9*4.167 ph25):f2 (p9*2.944 ph23):f2 (p9*4.111 ph25):f2 (p9*3.556 ph25):f2 (p9*4.556 ph23):f2 (p9*3.222 ph25):f2 (p9*3.167 ph23):f2 (p9*0.333 ph25):f2 (p9*2.722 ph23):f2 (p9*4.167 ph25):f2 (p9*2.944 ph23):f2 (p9*4.111 ph25):f2 (p9*3.556 ph23):f2 (p9*4.556 ph25):f2 (p9*3.222 ph23):f2 (p9*3.167 ph25):f2 (p9*0.333 ph23):f2 (p9*2.722 ph25):f2 (p9*4.167 ph23):f2 (p9*2.944 ph25):f2 (p9*4.111 ph23):f2 lo to 7 times l1 ;end DIPSI2 d12 pl19:f1 pl0:f2 d12 cpds1:f1 ph2 (p14:sp5 ph1):f2 DELTA1 (p24:sp9 ph1):f2 d13 (p14:sp5 ph1):f2 d21 (p13:sp8 ph1):f2 4u d12 fq2:f2 (p13:sp2 ph5):f2 d22 (p14:sp7 ph1):f2 DELTA2 pl3:f3 (p14:sp3 ph1):f2 (CEN_CN2 p22 ph8):f3 d23 (p14:sp7 ph1):f2 4u (p13:sp8 ph1):f2 4u 4u do:f1 (p26 ph10):f1 4u p16:gp2 d16 (p26 ph2):f1 4u cpds1:f1 ph1 (p21 ph6):f3 d10 (p14:sp7 ph1):f2 DELTA3 (p14:sp3 ph1):f2 (CEN_CN2 p22 ph1):f3 d30 d13 do:f1 (p26 ph9):f1 DELTA4 p16:gp3*EA d16 pl1:f1 (CEN_HN1 p1 ph1):f1 (p21 ph1):f3 d26 (CEN_HN2 p2 ph1):f1 (p22 ph1):f3 d26 (CEN_HN1 p1 ph2):f1 (p21 ph7):f3 d26 (CEN_HN2 p2 ph1):f1 (p22 ph1):f3 d26 (p1 ph1):f1 DELTA5 (p2 ph1):f1 3u p16:gp4 d16 pl16:f3 4u setnmr2^0 setnmr0^34^32^33 go=2 ph31 cpd3:f3 # 1 "mc_line 212 file /u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp expanding mc command in line " MCWRK do:f3 wr #0 if #0 zd igrad EA MCWRK ip7*2 lo to LBLSTS2 times 2 MCWRK id10 MCWRK dd30 MCWRK ip6*2 MCWRK ip8*2 MCWRK ip31*2 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK rd30 MCWRK ip3 lo to LBLSTS1 times 2 MCWRK id0 MCWRK id20 MCWRK dd29 lo to LBLF1 times ST1CNT # 213 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" exit ph1=0 ph2=1 ph3=0 0 0 0 2 2 2 2 ph4=0 0 2 2 ph5=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph6=0 2 ph7=3 ph8=0 ph9=3 ph10=2 ph23=0 ph25=2 ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 ;pl0 : 120dB ;pl1 : f1 channel - power level for pulse (default) ;pl3 : f3 channel - power level for pulse (default) ;pl15: f2 channel - power level for TOCSY-spinlock ;pl16: f3 channel - power level for CPD/BB decoupling ;pl19: f1 channel - power level for CPD/BB decoupling ;sp2: f2 channel - shaped pulse 90 degree (C=O on resonance) ;sp3: f2 channel - shaped pulse 180 degree (C=O on resonance) ;sp5: f2 channel - shaped pulse 180 degree (C=O off resonance) ;sp7: f2 channel - shaped pulse 180 degree (Ca off resonance) ;sp8: f2 channel - shaped pulse 90 degree (on resonance) ; for time reversed pulse ;sp9: f2 channel - shaped pulse 180 degree (Ca on resonance) ; sp9 might require higher selectivity than sp3 ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p9 : f2 channel - 90 degree low power pulse ;p13: f2 channel - 90 degree shaped pulse ;p14: f2 channel - 180 degree shaped pulse ;p16: homospoil/gradient pulse [1 msec] ;p21: f3 channel - 90 degree high power pulse ;p22: f3 channel - 180 degree high power pulse ;p24: f2 channel - 180 degree shaped pulse (sp9) ;p26: f1 channel - 90 degree pulse at pl19 ;d0 : incremented delay (F1 in 3D) = d4 ;d1 : relaxation delay; 1-5 * T1 ;d3 : 1/(6J(CH) [1.1 msec] ;d4: 1/(4J(CH) [1.7 msec] ;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 ;d20: incremented delay (F1 in 3D) [3 usec] ;d21: 1/(2J(CaCO)) [3.6 msec] ;d22: 1/(2J'(CaCO) [4.4 msec] ;d23: constant time delay T(N) = 1/(4J'(NCO) [12.4 msec] ;d25: 1/(2J'(NH)) [5.5 msec] ;d26: 1/(4J(NH)) [2.3 msec] ;d29: decremented delay (F1 in 3D) = d4+p14+d20 ;d30: decremented delay (F2 in 3D) = d23-d25-d13-p26 ;l1: loop for DIPSI2 cycle: ((p6*115.112) * l1) = mixing time [3] ;in0: 1/(2 * SW(H)) = DW(H) ;nd0: 2 ;in10: 1/(2 * SW(N)) = DW(N) ;nd10: 2 ;in20: = in0 - in29 ;in29: = d29 * 2 / td1 ;in30: = in10 ;NS: 16 * n ;DS: >= 16 ;td1: number of experiments in F1 ;td2: number of experiments in F2 td2 max = 2 * d30 / in30 ;FnMODE: States-TPPI (or TPPI) in F1 ;FnMODE: echo-antiecho in F2 ;cpds1: decoupling according to sequence defined by cpdprg1 ;cpd3: decoupling according to sequence defined by cpdprg3 ;pcpd1: f1 channel - 90 degree pulse for decoupling sequence ;pcpd3: f3 channel - 90 degree pulse for decoupling sequence ;define FQ1LIST (list has to be stored in "/u/exp/stan/nmr/lists/f1") ; set on Haliph. for first part and for second either on H2O ; (better water suppression) or NH (better sensitivity) ;define FQ2LIST (list has to be stored in "/u/exp/stan/nmr/lists/f1") ; set on Caliph. for DIPSI transfer but on C=O during transfer ; to C=O ;use gradient ratio: gp 1 : gp 2 : gp 3 : gp 4 ; 50 : -30 : 80 : 8.1 ;for z-only gradients: ;gpz1: 50% ;gpz2: -30% ;gpz3: 80% ;gpz4: 8.1% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;$Id: hccconhgp3d2,v 1.9 2000/10/06 09:09:08 ber Exp $