# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" ;hbhaconhgpwg3d ;avance-version (03/01/17) ;HBHACONH ;3D sequence with ; inverse correlation for triple resonance using 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 (t2) ;using semi-constant time in t1 ;using constant time in t2 ;water suppression using watergate sequence ;(use parameterset HBHACONHGPWG3D) ; ;(S. Grzesiek & A. Bax, J. Biomol. NMR 3, 185-204 (1993)) ;(D.R. Muhandiram & L.E. Kay, J. Magn. Reson. B 103, 203-216 (1994)) prosol relations=<triple> # 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (03/02/17) ;$Id: Avance2.incl,v 1.7.2.3 2003/02/25 14:48:48 ber Exp $ # 24 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" 2 # 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad2.incl - include file for Gradient Spectroscopy ; for 1 ; ;avance-version (02/05/31) define list<gradient> EA=<EA> ;$Id: Grad2.incl,v 1.7 2002/06/12 09:04:22 ber Exp $ # 25 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" 2 # 1 "/opt/xwinnmr/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 1.11 2002/06/12 09:04:22 ber Exp $ # 26 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" 2 "d11=30m" "d12=20u" "d3=2.2m" "d4=1.8m" "d21=12.4m" "d22=3.6m" "d23=3.6m" "d24=4.4m" "d25=5.5m" "d26=2.3m" "d27=12.4m" "d0=d4" "d10=d21/2-p14/2" "d20=3u" "d28=d4+p14+d20" "d29=d21/2-p14/2-p26-d25-4u" "d30=d21/2-p14/2" "FACTOR1=d28*10000000*2/td1" "in28=FACTOR1/10000000" "in20=in0-in28" "in29=in10" "in30=in10" "p2=p1*2" "p22=p21*2" "cnst11=o1" ;H2O offset in Hz "DELTA1=d22-d3" "DELTA2=d23-p14" "DELTA3=d27-d24+4u" "DELTA4=d26-p16-d16-p11-12u" "spoff2=0" "spoff3=0" "spoff5=bf2*((cnst21-cnst23)/1000000)" "spoff7=bf2*((cnst22-cnst21)/1000000)" "spoff8=0" aqseq 321 # 1 "mc_line 78 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp expanding definition part of mc command before ze" ; dimension 3 aq-mode (F2) States-TPPI (F1) States F2->F1 define delay MCWRK define delay MCREST define loopcounter ST1CNT "ST1CNT = td1 / (2)" define loopcounter ST2CNT "ST2CNT = td2 / (2)" "MCWRK = 0.083333*d11" "MCREST = d11 - d11" # 78 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" 1 ze # 1 "mc_line 78 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp expanding definition of mc command after ze" # 79 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" d11 pl16:f3 # 1 "mc_line 80 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp expanding start label for mc command" 2 MCWRK do:f3 LBLSTS2, MCWRK * 3 LBLF2, MCWRK * 4 LBLSTS1, MCWRK * 4 LBLF1, MCREST # 81 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" 3 d11 fq=cnst10(bf ppm):f1 fq=cnst23(bf ppm):f2 d1 50u setnmr3|0 setnmr0|34|32|33 d12 pl1:f1 pl0:f2 pl3:f3 (p1 ph3):f1 d0 (p14:sp3 ph1):f2 d20 (p2 ph1):f1 d28 (p1 ph2):f1 (p13:sp2 ph1):f2 d3 pl19:f1 DELTA1 cpds1:f1 ph2 (p14:sp3 ph1):f2 d22 (p13:sp8 ph1):f2 4u (p14:sp5 ph1):f2 DELTA2 (p14:sp3 ph1):f2 4u (p14:sp5 ph1):f2 DELTA2 (p13:sp2 ph1):f2 4u do:f1 (p26 ph9):f1 p16:gp1 d16 fq=cnst11(bf):f1 fq=cnst21(bf ppm):f2 (p26 ph2):f1 20u cpds1:f1 ph1 (p13:sp2 ph4):f2 d24 (p14:sp7 ph1):f2 DELTA3 (center (p14:sp3 ph1):f2 (p22 ph1):f3 ) d27 (p14:sp7 ph1):f2 4u (p13:sp8 ph1):f2 4u do:f1 (p26 ph7):f1 4u p16:gp2 d16 (p26 ph2):f1 20u cpds1:f1 ph1 (p21 ph5):f3 d30 (p14:sp7 ph1):f2 d30 (center (p14:sp3 ph1):f2 (p22 ph8):f3 ) d10 (p14:sp7 ph1):f2 d29 4u do:f1 (p26 ph7):f1 d25 (p21 ph1):f3 p16:gp3 d16 pl0:f1 (p11:sp1 ph6):f1 4u 4u pl1:f1 (p1 ph1) 4u p16:gp4 d16 DELTA4 pl0:f1 (p11:sp1 ph6):f1 4u 4u pl1:f1 (center (p2 ph1) (p22 ph1):f3 ) 4u pl0:f1 (p11:sp1 ph6):f1 4u DELTA4 p16:gp4 d16 pl16:f3 4u setnmr3^0 setnmr0^34^32^33 go=2 ph31 cpd3:f3 # 1 "mc_line 171 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp expanding mc command in line" MCWRK do:f3 wr #0 if #0 zd ip5 lo to LBLSTS2 times 2 MCWRK id10 MCWRK id29 MCWRK dd30 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK rd29 MCWRK rd30 MCWRK ip3 lo to LBLSTS1 times 2 MCWRK id0 MCWRK id20 MCWRK dd28 MCWRK ip31*2 lo to LBLF1 times ST1CNT # 174 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hbhaconhgpwg3d.fp" exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph5=0 0 2 2 ph6=2 ph7=3 ph8=0 0 0 0 2 2 2 2 ph9=0 2 ph31=0 2 2 0 0 2 2 0 2 0 0 2 2 0 0 2 ;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 ;pl19: f1 channel - power level for CPD/BB decoupling ;sp1: f1 channel - shaped pulse 90 degree (H2O on resonance) ;sp2: f2 channel - shaped pulse 90 degree (on resonance) ;sp3: f2 channel - shaped pulse 180 degree (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 ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p11: f1 channel - 90 degree shaped pulse [1 msec] ;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 ;p26: f1 channel - 90 degree pulse at pl19 ;d0 : incremented delay (F1 in 3D) = d4 ;d1 : relaxation delay; 1-5 * T1 ;d3 : 1/(3J(CH)) [2.2 msec] ;d4 : 1/(4J(CH)) [1.8 msec] ;d10: incremented delay (F2 in 3D) = d21/2-p14/2 ;d11: delay for disk I/O [30 msec] ;d12: delay for power switching [20 usec] ;d16: delay for homospoil/gradient recovery ;d20: decremented delay (F1 in 3D) [3 usec] ;d21: 1/(4J(NCO)), T(N) [12.4 msec] ;d22: 1/(8J(CaCb)) [3.6 msec] ;d23: 1/(4J(CaCO)) [3.6 msec] ;d24: 1/(4J'(CaCO)) [4.4 msec] ;d25: 1/(2J(NH)) [5.5 msec] ;d26: 1/(4J(NH)) [2.3 msec] ;d27: 1/(4J'(NCO)) [12.4 msec] ;d28: incremented delay (F1 in 3D) = d4+p14+d20 ;d29: incremented delay (F2 in 3D) = d21/2-p14/2-p26-d25-4u ;d30: decremented delay (F2 in 3D) = d21/2-p14/2 ;cnst10: Hab chemical shift (offset, in ppm) ;cnst11: H chemical shift for H2O (offset, in Hz) ;cnst21: CO chemical shift (offset, in ppm) ;cnst22: Calpha chemical shift (offset, in ppm) ;cnst23: Caliphatic chemical shift (offset, in ppm) ;o2p: Caliphatic chemical shift (cnst23) ;in0: 1/(2 * SW(Hali)) = DW(Hali) ;nd0: 2 ;in10: 1/(4 * SW(N)) = (1/2) DW(N) ;nd10: 4 ;in20: = in0 - in28 ;in28: = d28 *2 / td1 ;in29: = in10 ;in30: = in10 ;NS: 4 * n ;DS: >= 16 ;td1: number of experiments in F1 td1 min = 2 * d28 / in0 ;td2: number of experiments in F2 td2 max = 2 * d30 / in30 ;FnMODE: States-TPPI in F1 (not suitable for TPPI) ;FnMODE: States-TPPI (or TPPI) 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 ;use gradient ratio: gp 1 : gp 2 : gp 3 : gp 4 ; 50 : 40 : 60 : 30 ;for z-only gradients: ;gpz1: 50% ;gpz2: 40% ;gpz3: 60% ;gpz4: 30% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;Processing ;SR(F1): 1/4 SWH(F1) ;$Id: hbhaconhgpwg3d,v 1.1.2.1 2003/01/17 16:30:38 ber Exp $