# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d"
;noesyhsqcetgp3d
;avance-version (07/04/04)
;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)
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
; for 1
;
;avance-version (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=
;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $
# 25 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d" 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<gradient> EA=<EA>
;$Id: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $
# 26 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d" 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 $
# 27 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d" 2
"p2=p1*2"
"p4=p3*2"
"d4=1s/(cnst2*4)"
"d11=30m"
"d12=20u"
"p22=p21*2"
"d0=3u"
"d10=3u"
"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 "mc_line 64 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d 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 = 0.076923*d1"
"MCREST = d1 - d1"
dccorr
# 64 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d"
1 ze
# 1 "mc_line 64 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d expanding definition of mc command after ze"
# 65 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d"
d11 pl12:f2
# 1 "mc_line 66 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d expanding start label for mc command"
2 MCWRK do:f2
LBLSTS2, MCWRK * 4
LBLF2, MCWRK * 6
LBLSTS1, MCWRK
LBLF1, MCWRK
MCREST
# 67 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d"
3 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
# 1 "mc_line 112 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d expanding mc command in line"
MCWRK do:f2 wr #0 if #0 zd igrad EA
lo to LBLSTS2 times 2
MCWRK id10 MCWRK ip3*2 MCWRK ip6*2 MCWRK ip31*2
lo to LBLF2 times ST2CNT
MCWRK rd10 MCWRK rp3 MCWRK rp6 MCWRK rp31 MCWRK ip7 MCWRK ip8
lo to LBLSTS1 times 2
MCWRK id0
lo to LBLF1 times ST1CNT
MCWRK
# 115 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcetgp3d"
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)
;inf1: 1/SW(H) = 2 * DW(H)
;inf2: 1/SW(X) = 2 * DW(X)
;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: noesyhsqcetgp3d,v 1.5 2007/04/11 13:34:31 ber Exp $