# 1 "/u/exp/stan/nmr/lists/pp/hncacogp3d.bv" ;hncacogp3d modified for 1 scan experiment ;avance-version ;HN(CA)CO ;3D sequence with ; inverse correlation for triple resonance using multiple ; inept transfer steps ; ; F1(H) -> F3(N) -> F2(Ca) -> F2(C=O,t1) ; -> F2(Ca) -> F3(N,t2) -> F1(H,t3) ; ;on/off resonance Ca and C=O pulses using shaped pulse ;phase sensitive using States-TPPI (t1) ;phase sensitive using Echo/Antiecho gradient selection (t2) ;using constant time in t2 ;R.T. Clubb, V. Thanabal & G. Wagner, J. Magn. Reson. 97, 213-217 (1992) ;(L.E. Kay, G.Y. Xu & T. Yamazaki, J. Magn. Reson. A109, 129-133 (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 $ # 20 "/u/exp/stan/nmr/lists/pp/hncacogp3d.bv" 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 $ # 21 "/u/exp/stan/nmr/lists/pp/hncacogp3d.bv" 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 $ # 22 "/u/exp/stan/nmr/lists/pp/hncacogp3d.bv" 2 "p2=p1*2" "d0=3u" "d10=3u" "d11=30m" "d13=4u" "d14=p14" "d21=5.5m" "d22=4m" "d23=12m" "d26=2.3m" "d30=d23-4u-p17-d16" "in30=in10" "DELTA1=p16+d16+d13+4u" "DELTA2=d23-d21-p26" "DELTA3=d22-p14-4u" "DELTA4=d0*2-4u" "DELTA5=d23-d10-p14" "DELTA6=d21-p17-d16" "CEN_HN1=(p21-p1)/2" "CEN_HN2=(p22-p2)/2" "CEN_CN2=(p14-p22)/2" "TAU1=d23*2+p14-d21-p26-d13" "l3=(td1/2)" "l13=(td2/2)" aqseq 321 1 d11 ze d11 fq2:f2 pl16:f3 2 d11 do:f3 6m 3 d11*2 4 d11*2 5 d11 6 d1 pl1:f1 p1 ph1 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 p17:gp1 d16 (p21 ph1):f3 d21 pl19:f1 (p26 ph2):f1 DELTA2 cpds1:f1 ph1 (p14:sp3 ph1):f2 (CEN_CN2 p22 ph1):f3 d23 (p21 ph1):f3 4u do:f1 (p26 ph7):f1 p16:gp4 d16 (p26 ph2):f1 4u cpds1:f1 (p13:sp2 ph3):f2 4u (p14:sp5 ph1):f2 DELTA3 (p24:sp9 ph1):f2 4u (p14:sp5 ph1):f2 DELTA3 (p13:sp8 ph2):f2 4u 30u fq2:f2 (p13:sp2 ph4):f2 d0 (p14:sp7 ph1):f2 (CEN_CN2 p22 ph8):f3 d0 (p14:sp3 ph1):f2 DELTA4 (p14:sp7 ph1):f2 4u (p13:sp8 ph1):f2 4u 30u fq2:f2 (p13:sp2 ph2):f2 DELTA3 (p14:sp5 ph1):f2 4u (p24:sp9 ph1):f2 DELTA3 (p14:sp5 ph1):f2 4u (p13:sp8 ph1):f2 (p21 ph1):f3 (TAU1 d13 do p26 ph7):f1 (d10 p14:sp5 ph1 DELTA5 p14:sp3 ph1 d30):f2 (d10 d14 DELTA5 CEN_CN2 p22 ph8):f3 ; d10 ; (p14:sp5 ph1):f2 ; DELTA5 ; (p14:sp3 ph1):f2 (CEN_CN2 p22 ph8):f3 ; d30 ; d13 do:f1 ; (p26 ph7):f1 4u p17:gp2*EA d16 pl1:f1 (CEN_HN1 p1 ph1) (p21 ph5):f3 d26 (CEN_HN2 p2 ph1) (p22 ph1):f3 d26 (CEN_HN1 p1 ph2) (p21 ph6):f3 d26 (CEN_HN2 p2 ph1) (p22 ph1):f3 d26 (p1 ph1) DELTA1 (p2 ph1) d13 p16:gp3 d16 pl16:f3 4u setnmr2^0 setnmr0^34^32^33 go=2 ph31 cpd3:f3 d11 do:f3 wr #0 if #0 zd 3m ip6 igrad EA 3m ip6 lo to 3 times 2 d11 id10 d11 dd30 lo to 4 times l13 d11 rd10 ip4 d11 rd30 lo to 5 times 2 d11 id0 lo to 6 times l3 exit ph1=0 ph2=1 ph3=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph4=0 2 ph5=0 0 2 2 ph6=3 3 1 1 ph7=3 ph8=0 0 0 0 2 2 2 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 ;sp9: f2 channel - shaped pulse 180 degree (Ca on resonance) ; sp9 requires higher selectivity than sp3 ;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 ;p24: f2 channel - 180 degree shaped pulse (sp9) ;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] ;d13: short delay [4 usec] ;d16: delay for homospoil/gradient recovery ;d21: 1/(2J(NH) [5.5 msec] ;d22: 1/(4J(CaCO) [4 msec] ;d23: 1/(4J(NCa) [12 msec] ;d26: 1/(4J'(NH) [2.3 msec] ;d30: decremented delay (F2 in 3D) = d23-d21-d13-p26-4u ;l3: loop for phase sensitive 3D using States-TPPI : l3 = td1/2 ;l13: loop for phase sensitive 3D using E/A method : l13 = td2/2 ;in0: 1/(2 * SW(CO)) = DW(CO) ;nd0: 2 ;in10: 1/(2 * SW(N)) = DW(N) ;nd10: 2 ;in30: = in10 ;NS: 1 * n ;DS: >= 16 ;td1: number of experiments in F1 ;td2: number of experiments in F2 td2 max = 2 * d30 / in30 ;MC2: States-TPPI in F1 ;MC2: 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 FQ2LIST (list has to be stored in "/u/exp/stan/nmr/lists/f1") ; set on Ca for first part and on C=O for second ;use gradient ratio: gp 1 : gp 2 : gp 3 ; 30 : 80 : 8.1 ;for z-only gradients: ;gpz1: 30% ;gpz2: 80% ;gpz3: 8.1% ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;For the 1 scan experiment we used: ;p13=409.6us ;p14=256us ;p16=1ms ;p17=2.5ms ;p24=768us ;p26=90us ;pcpd1=90us ;spnam2=g4.256 ;spnam3=g3.256 ;spnam5=g3.256 ;spnam7=g3.256 ;spnam8=g4tr.256 ;spnam9=g3.256 ;gpz1=-65% ;gpz2=80% ;gpz3=20.26% ;gpz4=-65% ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100