# 1 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.fp" ;hncacbgp3d ;avance-version (01/06/06) ;HNCACB ;3D sequence with ; inverse correlation for triple resonance using inept transfer steps ; ; F1(H) -> F3(N) -> F2(Caliph.,t1) -> 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 constant time in t2 ;(use parameterset HNCACBGP3D) ; ;M. Wittekind & L. Mueller, J. Magn. Reson. B 101, 201-205 (1993) ;D.R. Muhandiram & L.E. Kay, J. Magn. Reson. B 103, 203-216 (1994) prosol relations=<triple> # 1 "/u/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance.incl ; ;avance-version (03/02/17) ;$Id: Avance1.incl,v 1.7.2.3 2003/02/25 14:48:47 ber Exp $ # 22 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.fp" 2 # 1 "/u/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad.incl - include file for Gradient Spectroscopy ; ;avance-version (02/05/31) define list<gradient> EA=<EA> ;$Id: Grad1.incl,v 1.7 2002/06/12 09:04:22 ber Exp $ # 23 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.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 1.11 2002/06/12 09:04:22 ber Exp $ # 24 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.fp" 2 "p2=p1*2" "d0=3u" "d10=3u" "d11=30m" "d12=20u" "d21=5.5m" ;tau c "d22=12.4m" ;T N "d23=3.5m" ;tau b "d26=2.3m" ;tau a, tau d "in30=in10" "d30=d22-8u" "DELTA1=d22-d21-p26" "DELTA2=d0*2" "DELTA3=d22-d21-p26-d10-16u" "DELTA4=d21-p17-d16-4u" "DELTA5=p16+d16+8u" "CEN_HN1=(p21-p1)/2" "CEN_HN2=(p22-p2)/2" "CEN_CN2=(p14-p22)/2" aqseq 321 # 1 "mc_line 61 file /u/exp/stan/nmr/lists/pp/hncacbgp3d.fp expanding definition part of mc command before ze" ; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI 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" # 61 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.fp" 1 ze # 1 "mc_line 61 file /u/exp/stan/nmr/lists/pp/hncacbgp3d.fp expanding definition of mc command after ze" # 62 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.fp" d11 pl16:f3 # 1 "mc_line 63 file /u/exp/stan/nmr/lists/pp/hncacbgp3d.fp expanding start label for mc command" 2 MCWRK * 2 do:f3 LBLSTS2, MCWRK * 4 LBLF2, MCWRK * 4 LBLSTS1, MCWRK * 2 LBLF1, MCREST # 64 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.fp" 3 d1 pl1:f1 pl0:f2 (p1 ph1):f1 d26 pl3:f3 (CEN_HN2 p2 ph1) (p22 ph1):f3 d26 setnmr2|0 setnmr0|34|32|33 (p1 ph2):f1 4u pl0:f1 (p11:sp1 ph1:r):f1 4u p16:gp1 d16 (p21 ph3):f3 d21 pl19:f1 (p26 ph2):f1 DELTA1 cpds1:f1 ph1 (p14:sp3 ph1):f2 (CEN_CN2 p22 ph1):f3 d22 (p21 ph1):f3 (p13:sp2 ph4):f2 d23 (p14:sp3 ph1):f2 d23 (p13:sp8 ph2):f2 d0 (p14:sp5 ph1):f2 (CEN_CN2 p22 ph8):f3 d0 4u (p14:sp3 ph1):f2 DELTA2 (p14:sp5 ph1):f2 4u (p13:sp2 ph5):f2 d23 (p14:sp3 ph1):f2 d23 (p13:sp8 ph6):f2 4u 4u pl28:f2 20u cpds2:f2 (p21 ph7):f3 d30 4u do:f2 4u pl0:f2 (p14:sp3 ph1):f2 (CEN_CN2 p22 ph8):f3 4u 4u pl28:f2 4u cpds2:f2 DELTA3 d10 4u do:f1 (p26 ph11):f1 DELTA4 4u do:f2 p17:gp2*EA d16 pl1:f1 (CEN_HN1 p1 ph1):f1 (p21 ph9):f3 d26 (CEN_HN2 p2 ph1):f1 (p22 ph1):f3 d26 (CEN_HN1 p1 ph2):f1 (p21 ph10):f3 d26 (CEN_HN2 p2 ph1):f1 (p22 ph1):f3 d26 (p1 ph1):f1 DELTA5 (p2 ph1):f1 4u p16:gp3 d16 pl16:f3 4u setnmr2^0 setnmr0^34^32^33 go=2 ph31 cpd3:f3 # 1 "mc_line 144 file /u/exp/stan/nmr/lists/pp/hncacbgp3d.fp expanding mc command in line" MCWRK do:f3 wr #0 if #0 zd igrad EA MCWRK ip9*2 lo to LBLSTS2 times 2 MCWRK id10 MCWRK dd30 MCWRK ip7*2 MCWRK ip31*2 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK rd30 MCWRK ip5 MCWRK ip6 lo to LBLSTS1 times 2 MCWRK id0 MCWRK dp5*2 lo to LBLF1 times ST1CNT # 147 "/u/exp/stan/nmr/lists/pp/hncacbgp3d.fp" exit ph1=0 ph2=1 ph3=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph4=0 ph5=3 3 1 1 ph6=0 0 2 2 ph7=0 2 ph8=0 0 0 0 2 2 2 2 ph9=0 ph10=3 ph11=3 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 ;pl28: f2 channel - power level for selective CPD/BB decoupling ;sp1: f1 channel - shaped pulse 90 degree (H2O on resonance) ;sp2: f2 channel - shaped pulse 90 degree (Cali on resonance) ;sp3: f2 channel - shaped pulse 180 degree (Cali on resonance) ;sp5: f2 channel - shaped pulse 180 degree (C=O off resonance) ;sp8: f2 channel - shaped pulse 90 degree (Cali on resonance) ; for time reversed pulse ;sp15: f2 channel - shaped pulse 180 degree for decoupling ; (C=O off resonance) ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p11: f1 channel - 90 degree shaped pulse [2 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) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d10: incremented delay (F2 in 3D) [3 usec] ;d11: delay for disk I/O [30 msec] ;d12: delay for power switching [20 usec] ;d16: delay for homospoil/gradient recovery ;d21: tau c [5.5 msec] ;d22: T(N) [12.4 msec] ;d23: tau b [3.5 msec] ;d26: tau a, tau d [2.3 msec] ;d30: decremented delay (F2 in 3D) = d22-8u ;in0: 1/(2 * SW(Cali)) = DW(Cali) ;nd0: 2 ;in10: 1/(2 * SW(N)) = DW(N) ;nd10: 2 ;in30: = in10 ;NS: 8 * 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 ;cpds2: decoupling according to sequence defined by cpdprg2 : mlevsp180 ;cpd3: decoupling according to sequence defined by cpdprg3 ;pcpd1: f1 channel - 90 degree pulse for decoupling sequence ;pcpd2: f2 channel - 180 degree pulse for decoupling sequence ;pcpd3: f3 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 : gp 3 ; 50 : 80 : 8.1 ;for z-only gradients: ;gpz1: 50% ;gpz2: 80% ;gpz3: 8.1% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;$Id: hncacbgp3d,v 1.12.2.2 2001/09/10 11:42:09 ber Exp $