# 1 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcetgp3d.nus" ;noesyhsqcetgp3d ;avance-version (04/03/08) ;NOESY-HSQC ;3D sequence with ; homonuclear correlation via dipolar coupling ; dipolar coupling may be due to noe or chemical exchange. ; H-1/X correlation via double inept transfer ;phase sensitive (t1) ;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2) ;using trim pulses in inept transfer ;with decoupling during acquisition ;using shaped pulses for inversion on f2 - channel ;(use parameterset NOESYHSQCETGP3D) ; ;A.L. Davis, J. Keeler, E.D. Laue & D. Moskau, J. Magn. Reson. 98, ; 207-216 (1992) ;A.G. Palmer III, J. Cavanagh, P.E. Wright & M. Rance, J. Magn. ; Reson. 93, 151-170 (1991) ;L.E. Kay, P. Keifer & T. Saarinen, J. Am. Chem. Soc. 114, ; 10663-5 (1992) ;J. Schleucher et al., Angew. Chem. 114(10), 1518 (1993) # 1 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/Avance.incl" 1 ;Avance2.incl ; for 1 ; ;avance-version (07/08/21) ; ;$CLASS=HighRes Incl ;$COMMENT= ;$Id: pulseprogram,v 1.1 2021/02/10 21:36:35 bmrbsvc Exp $ # 24 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcetgp3d.nus" 2 # 1 "/opt/topspin2.1.4/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: pulseprogram,v 1.1 2021/02/10 21:36:35 bmrbsvc Exp $ # 25 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcetgp3d.nus" 2 # 1 "/opt/topspin2.1.4/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: pulseprogram,v 1.1 2021/02/10 21:36:35 bmrbsvc Exp $ # 26 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcetgp3d.nus" 2 ;********Added for NUS******* define loopcounter SPARSEFLAG define loopcounter SPARSELEV define loopcounter SPARSESEED "SPARSEFLAG=cnst60" "SPARSELEV=cnst61" "SPARSESEED=cnst62" ;cnst60: = sparse flag (0=yes, 1=no) ;cnst61: = level of sparsing in % ;cnst62: = random seed (usu 709) define delay short "short=50u" "l2=td2/2" "l3=td1/2" ;^^^^^^^^^^^^^^^^^^^^^^^^^^^^ "p2=p1*2" "p4=p3*2" "d0=3u" "d4=1s/(cnst2*4)" "d10=3u" "d11=30m" "d12=20u" "in0=inf1/2" "in10=inf2/2" "DELTA2=d4-larger(p2,p14)/2-p16-8u" "DELTA3=d4-larger(p2,p14)/2" "DELTA=larger(p14,p22)+d0*2" "DELTA1=p16+d16+larger(p2,p22)+d10*2" aqseq 321 ;1 ze ; d11 pl12:f2 ;2 d1 do:f2 ;3 d12 pl0:f2 ;********Added for NUS******* # 1 "mc_line 83 file /opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcetgp3d.nus dc-measurement inserted automatically" dccorr # 83 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcetgp3d.nus" 1 ze d11 pl2:f2 2 short*3 do:f2 3 short*5 4 5u if "vd < 2u" goto 100 short*6 5 short*1 6 d11 pl12:f2 ;^^^^^^^^^^^^^^^^^^^^^^^^^^^^ d1 do:f2 d12 pl0:f2 (p1 ph7) DELTA (p2 ph8) d0 (center (p14:sp3 ph1):f2 (p22 ph1):f3 ) d0 (p1 ph1):f1 d8 (p1 ph1):f1 DELTA3 pl0:f2 4u (center (p2 ph1) (p14:sp3 ph6):f2 ) 4u DELTA3 pl2:f2 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 ; p28 ph1 4u (p1 ph2) (p3 ph3):f2 d10 (center (p2 ph5) (p22 ph1):f3 ) d10 p16:gp1*EA d16 (p4 ph4):f2 DELTA1 (ralign (p1 ph1) (p3 ph4):f2 ) DELTA3 pl0:f2 (center (p2 ph1) (p14:sp3 ph1):f2 ) 4u p16:gp2 DELTA2 pl12:f2 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 go=2 ph31 cpd2:f2 ;********Added for NUS******* d11 do:f2 wr #0 100 short if #0 short zd ;---------------------------- short igrad EA lo to 3 times 2 short id10 short ip3*2 short ip6*2 short ip31*2 short ivd lo to 4 times l2 short rd10 short ip7 short ip8 short rp3 short rp6 short rp31 lo to 5 times 2 short id0 lo to 6 times l3 ;^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ; d1 do:f2 mc #0 to 2 ; F1PH(rd10 & ip7 & ip8, id0) ; F2EA(igrad EA, id10 & ip3*2 & ip6*2 & ip31*2) 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=0 ph7=0 0 0 0 2 2 2 2 ph8=1 1 1 1 3 3 3 3 ph31=0 2 0 2 2 0 2 0 2 0 2 0 0 2 0 2 ;pl0 : 120dB ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl3 : f3 channel - power level for pulse (default) ;pl12: f2 channel - power level for CPD/BB decoupling ;sp3: f2 channel - shaped pulse 180 degree ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p3 : f2 channel - 90 degree high power pulse ;p4 : f2 channel - 180 degree high power pulse ;p14: f2 channel - 180 degree shaped pulse for inversion ;p16: homospoil/gradient pulse ;p22: f3 channel - 180 degree high power pulse ;p28: f1 channel - trim pulse ;d0 : incremented delay (F1 in 3D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d4 : 1/(4J)XH ;d8 : mixing time ;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 ;cnst2: = J(XH) ;in0: 1/(2 * SW(H)) = DW(H) ;nd0: 2 ;in10: 1/(2 * SW(X)) = DW(X) ;nd10: 2 ;NS: 8 * n ;DS: >= 16 ;td1: number of experiments in F1 ;td2: number of experiments in F2 ;FnMODE: States-TPPI (or TPPI) in F1 ;FnMODE: echo-antiecho in F2 ;cpd2: decoupling according to sequence defined by cpdprg2 ;pcpd2: f2 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 ; 80 : 20.1 for C-13 ; 80 : 8.1 for N-15 ;for z-only gradients: ;gpz1: 80% ;gpz2: 20.1% for C-13, 8.1% for N-15 ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;preprocessor-flags-start ;1: for C-13 and N-15 labeled samples start experiment with ; option -DLABEL_CN (eda: ZGOPTNS) ;preprocessor-flags-end ;$Id: pulseprogram,v 1.1 2021/02/10 21:36:35 bmrbsvc Exp $