# 1 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcfpf3gpsi3d.nus" ;noesyhsqcfpf3gpsi3d ;avance-version (03/06/18) ;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 ; using sensitivity improvement ;phase sensitive (t1) ;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2) ;with decoupling during acquisition ;using flip-back pulse ;using f3 - channel ;(use parameterset NOESYHSQCFPF3GPSI3D) ; ;O. Zhang, L.E. Kay, J.P. Olivier & J.D. Forman-Kay, ; J. Biomol. NMR 4, 845 - 858 (1994) ;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, M. Schwendinger, M. Sattler, P. Schmidt, O. Schedletzky, ; S.J. Glaser, O.W. Sorensen & C. Griesinger, J. Biomol. NMR 4, ; 301-306 (1994) prosol relations= # 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: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $ # 30 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcfpf3gpsi3d.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: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $ # 31 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcfpf3gpsi3d.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: Delay.incl,v 1.12 2005/11/10 12:16:58 ber Exp $ # 32 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcfpf3gpsi3d.nus" 2 ;********Added for NUS******* define delay short "short=50u" "l2=td2/2" "l3=td1/2" ;**************************** "p2=p1*2" "p22=p21*2" "d0=3u" "d10=3u" "d11=50m" "d12=20u" "d13=4u" "d26=1s/(cnst4*4)" "p19=300u" "in0=inf1/2" "in10=inf2/2" "DELTA1=d13+p19+d16+4u" "DELTA3=d24-p16-d16" "DELTA4=d26-p16-d16" "DELTA=p16+d16+larger(p2,p8)+d10*2" "DELTA2=larger(p8,p22)+d0*2" "TAU=d8-p16-d16" aqseq 321 # 1 "mc_line 82 file /opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcfpf3gpsi3d.nus dc-measurement inserted automatically" dccorr # 82 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/user/noesyhsqcfpf3gpsi3d.nus" 1 ze d11 pl16:f3 2 d11 do:f3 short*4 3 short*5 4 1u if "vd < 2u" goto 100 short*6 5 short*1 6 5u d11 do:f3 d12 d1 (p1 ph8) DELTA2 pl3:f3 (p2 ph9) d0 (center (p8:sp13 ph1):f2 (p22 ph1):f3 ) d0 (p1 ph10) TAU setnmr3|0 setnmr0|34|32|33 ctrlgrad 0 p16:gp1 d16 (p1 ph11) d26 (center (p2 ph1) (p22 ph6):f3 ) d26 (p1 ph2) 4u pl0:f1 (p11:sp1 ph12):f1 4u p16:gp2 d16 pl1:f1 (p21 ph3):f3 d10 (center (p2 ph7) (p8:sp13 ph1):f2 ) d10 p16:gp3*EA d16 (p22 ph4):f3 DELTA (center (p1 ph1) (p21 ph4):f3 ) p16:gp4 d16 DELTA3 (center (p2 ph1) (p22 ph1):f3 ) DELTA3 p16:gp4 d16 (center (p1 ph2) (p21 ph5):f3 ) p16:gp5 d16 DELTA4 (center (p2 ph1) (p22 ph1):f3 ) DELTA4 p16:gp5 d16 (p1 ph1) DELTA1 (p2 ph1) d13 p19:gp6 d16 pl16:f3 4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7 go=2 ph31 cpd3:f3 ;************************************************** d11 do:f3 wr #0 100 short if #0 short zd ;************************************************** short igrad EA short ip5*2 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 ip8 short ip9 short rp3 short rp6 short rp31 lo to 5 times 2 short id0 lo to 6 times l3 1m ; d11 do:f3 mc #0 to 2 ; F1PH(rd10 & ip8 & ip9, id0) ; F2EA(igrad EA & ip5*2, id10 & ip3*2 & ip6*2 & ip31*2) exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 2 2 ph5=1 1 3 3 ph6=0 ph7=0 0 2 2 ph8=0 0 0 0 2 2 2 2 ph9=1 1 1 1 3 3 3 3 ph10=0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 ph11=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph12=2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0 ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 2 0 0 2 0 2 2 0 0 2 2 0 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 ;sp1 : f1 channel - shaped pulse 90 degree ;sp13: f2 channel - shaped pulse 180 degree (adiabatic) ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic) ;p11: f1 channel - 90 degree shaped pulse ;p16: homospoil/gradient pulse [1 msec] ;p19: homospoil/gradient pulse [300 usec] ;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 ;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] ;d13: short delay [4 usec] ;d16: delay for homospoil/gradient recovery ;d24: 1/(4J)YH for YH ; 1/(8J)YH for all multiplicities ;d26: 1/(4J(YH)) ;cnst4: = J(YH) ;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 ;cpd3: decoupling according to sequence defined by cpdprg3 ;pcpd3: f3 channel - 90 degree pulse for decoupling sequence ;use gradient ratio: gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : gp 6 ; 30 : -50 : 80 : 11 : 5 : 8.1*x ; with x = p16/p19 ;for z-only gradients: ;gpz1: 30% ;gpz2: -50% ;gpz3: 80% ;gpz4: 11% ;gpz5: 5% ;gpz6: 27% (8.1% *p16(=1 ms)/p19(=300 us)) ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100 ;gpnam3: SINE.100 ;gpnam4: SINE.100 ;gpnam5: SINE.100 ;gpnam6: SINE.50 ;preprocessor-flags-start ;1: for C-13 and N-15 labeled samples start experiment with ; option -DLABEL_CN (eda: ZGOPTNS) ;preprocessor-flags-end ;$Id: noesyhsqcfpf3gpsi3d,v 1.4 2003/06/18 15:27:26 ber Exp $