# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" ;trhncacbgp2h3d ;avance-version (07/04/04) ;TROSY-HNCACB ;3D sequence with ; inverse correlation for triple resonance ; via TROSY and 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 (t2) ;using constant time in t2 ;with H-2 decoupling - requires lockswitch unit or BSMS 2H-TX board ;with H-1 180degree pulses in t1 ;(use parameterset TRHNCACBGP2H3D) ; ;M. Salzmann, G. Wider, K. Pervushin, H. Senn & K. Wuethrich, ; J. Am. Chem. Soc. 121, 844-848 (1999) ;(A. Eletsky, A. Kienhoefer & K. Pervushin, ; J. Biomol. NMR 20, 188-180 (2001)) ; ;$CLASS=HighRes ;$DIM=3D ;$TYPE= ;$SUBTYPE= ;$COMMENT= prosol relations= # 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (07/08/21) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $ # 33 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 2 # 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Grad.incl" 1 ;Grad2.incl - include file for Gradient Spectroscopy ; for 1 ; ;avance-version (07/01/17) ; ;$CLASS=HighRes Incl ;$COMMENT= define list EA= ;$Id: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $ # 34 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 2 # 1 "/opt/topspin2.1/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 $ # 35 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 2 "p2=p1*2" "p22=p21*2" "d11=30m" "d12=20u" "d23=12m" "d26=2.3m" "d28=3.6m" "d0=3u" "d10=3u" "d30=d23-p11-8u-p1" "in0=inf1/4" "in10=inf2/2" "in30=in10" "DELTA=d0*4+larger(p14,p22)-p14+p2*2-4u" "DELTA1=d26-p11-p16-d16-8u" "DELTA2=d23-d10-p14-p21*4/3.1416" "DELTA3=d26-p16-d16" "l0=1" "spoff2=0" "spoff3=0" "spoff5=bf2*(cnst21/1000000)-o2" "spoff8=0" aqseq 321 # 1 "mc_line 77 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d 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 = 0.100000*d11" "MCREST = d11 - d11" dccorr # 77 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 1 d11 ze # 1 "mc_line 77 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d expanding definition of mc command after ze" # 78 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" d11 setnmr4|28 d11 h2pulse ;setnmr4|24 or interleave_incr d11 pl17:f4 # 1 "mc_line 82 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d expanding start label for mc command" 2 MCWRK * 2 LBLSTS2, MCWRK * 2 LBLF2, MCWRK * 4 LBLSTS1, MCWRK LBLF1, MCWRK MCREST # 83 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 3 d11 h2lock ;setnmr4^24 or interleave_incr 9m setnmr3^0 d1 pl1:f1 50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 d12 h2pulse ;setnmr4|24 or interleave_incr p1 ph1 4u pl0:f1 (p11:sp1 ph3:r):f1 4u p16:gp1 d16 pl1:f1 DELTA1 (center (p2 ph2) (p22 ph1):f3 ) DELTA1 p16:gp1 d16 pl0:f1 (p11:sp1 ph4:r):f1 4u 4u pl1:f1 (p1 ph4):f1 (p21 ph5):f3 d23 (center (p14:sp3 ph1):f2 (p22 ph1):f3 ) d23 (p21 ph2):f3 20u cpd4:f4 (p13:sp2 ph6):f2 d28 (p14:sp3 ph1):f2 d28 (p13:sp8 ph2):f2 d0 (p2 ph1):f1 d0 (center (p14:sp5 ph1):f2 (p22 ph1):f3 ) d0 (p2 ph1):f1 d0 (p14:sp3 ph1):f2 DELTA (p14:sp5 ph1):f2 4u (p13:sp2 ph10):f2 d28 (p14:sp3 ph1):f2 d28 (p13:sp8 ph11):f2 4u do:f4 if "l0 %2 == 1" { (p21 ph7):f3 } else { (p21 ph8):f3 } d10 (p14:sp5 ph1):f2 DELTA2 (center (p14:sp3 ph1):f2 (p22 ph1):f3 ) d30 pl0:f1 (p11:sp1 ph1:r):f1 4u 4u pl1:f1 (p1 ph9) p16:gp2 d16 DELTA3 (center (p2 ph1) (p22 ph1):f3 ) DELTA3 p16:gp2 d16 (center (p1 ph1) (p21 ph9):f3 ) p16:gp3 d16 DELTA1 pl0:f1 (p11:sp1 ph3:r):f1 4u 4u pl1:f1 (center (p2 ph1) (p22 ph1):f3 ) 4u pl0:f1 (p11:sp1 ph3:r):f1 DELTA1 p16:gp3 d16 pl1:f1 4u setnmr0^34^32^33 ctrlgrad 7 (p21 ph1):f3 go=2 ph31 # 1 "mc_line 181 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d expanding mc command in line" MCWRK wr #0 if #0 zd ip9*2 MCWRK iu0 lo to LBLSTS2 times 2 MCWRK id10 MCWRK dd30 lo to LBLF2 times ST2CNT MCWRK rd10 MCWRK rd30 MCWRK dp10 MCWRK dp11 lo to LBLSTS1 times 2 MCWRK id0 lo to LBLF1 times ST1CNT MCWRK # 184 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" d11 h2lock ;setnmr4^24 or interleave_incr d11 setnmr3^0 d11 setnmr4^28 exit ph1=0 ph2=1 ph3=2 ph4=3 ph5=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph6=0 ph7=1 3 0 2 ph8=1 3 2 0 ph9=3 ph10=3 3 3 3 1 1 1 1 ph11=0 0 0 0 2 2 2 2 ph31=1 3 2 0 3 1 0 2 3 1 0 2 1 3 2 0 ;pl0 : 120dB ;pl1 : f1 channel - power level for pulse (default) ;pl3 : f3 channel - power level for pulse (default) ;pl17: f4 channel - power level for 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 ;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 ;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 ;d23: 1/(4J(NCa) [12 msec] ;d26: 1/(4J'(NH) [2.3 msec] ;d28: 1/(4J(CaCb) [3.6 msec] ;d30: decremented delay (F2 in 3D) = d23-p11-8u-p1 ;cnst21: CO chemical shift (offset, in ppm) ;cnst23: Caliphatic chemical shift (offset, in ppm) ;o2p: Caliphatic chemical shift (cnst23) ;inf1: 1/SW(Cali) = 2 * DW(Cali) ;inf2: 1/SW(N) = 2 * DW(N) ;in0: 1/(4 * SW(Cali)) = (1/2) DW(Cali) ;nd0: 4 ;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 ;cpd4: decoupling according to sequence defined by cpdprg4 ;pcpd4: f4 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 : gp 3 ; 30 : 18 : 44 ;for z-only gradients: ;gpz1: 30% ;gpz2: 18% ;gpz3: 44% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;$Id: trhncacbgp2h3d,v 1.16 2007/04/11 13:34:31 ber Exp $