# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2"
;noesyhsqcgpsm3d.2
;avance-version (04/01/07)
;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
; simultaneous evolution of C-13 and N-15 chemical shift in t2
;phase sensitive (t1)
;phase sensitive (t2)
;with decoupling during acquisition
;using shaped pulses for inversion on f2 - channel
;(use parameterset NOESYHSQCGPSM3D.2)
;
;S.M. Pascal, D.R. Muhandiram, T. Yamazaki, J.D. Forman-Kay & L.E. Kay,
; J. Magn. Reson. B103, 197 - 201 (1994)
prosol relations=<triple>
# 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 $
# 22 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 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 $
# 23 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 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 $
# 24 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2" 2
"p2=p1*2"
"p4=p3*2"
"p22=p21*2"
"d4=1s/(cnst2*4)"
"d0=3u"
"d11=30m"
"d12=20u"
"d26=1s/(cnst4*4)"
"d10=3u"
"d29=3u"
"DELTA5=p2*2+p3*2+p4+d10*4+d29*2"
"DELTA6=d10*2+p2"
"p16=1m"
"p19=3m"
"p29=4m"
"in29=in30-in10"
"DELTA=d1-d11*4-6m"
"DELTA1=d4-p16-d16-p8/2"
"DELTA2=d26-d4"
"DELTA3=d4-p16-d16-p8/2-p3*2-p21*2-d12-10u"
"DELTA4=d0*2+larger(p8,p22)"
"TAU=d8-p19*2-d16*2-p3"
"TAU2=(p8-p2)/2"
"TAU3=(p8-p22)/2"
;"spoff13=0"
aqseq 321
# 1 "mc_line 82 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding definition part of mc command before ze"
; dimension 3 aq-mode (F2) States-TPPI (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
# 82 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2"
1 ze
# 1 "mc_line 82 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding definition of mc command after ze"
# 83 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2"
d11 pl12:f2 pl16:f3
# 1 "mc_line 84 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding start label for mc command"
2 MCWRK * 2 do:f2 do:f3
LBLSTS2, MCWRK * 2
LBLF2, MCWRK * 4
LBLSTS1, MCWRK
LBLF1, MCWRK
MCREST
# 85 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2"
3 d12 pl10:f1
p17 ph1
p17*2 ph2
d1 pl1:f1 pl0:f2 pl3:f3
(p1 ph3)
DELTA4
(p2 ph8)
d0
(center (p8:sp13 ph1):f2 (p22 ph1):f3 )
d0
(p1 ph1)
TAU setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
p19:gp1
d16 pl2:f2
(p3 ph1):f2
4u
p16:gp2
d16
(p1 ph1)
4u
p16:gp3
d16 pl0:f2
DELTA1
(lalign
(DELTA2 TAU2 p2 ph1 TAU2)
(p8:sp13 ph1):f2
(DELTA2 TAU3 p22 ph1 TAU3):f3
)
DELTA2
DELTA1
4u
p16:gp3
d16
(p1 ph2)
4u
p29:gp4
d16 pl2:f2
# 137 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2"
(p21 ph5):f3
d29
(p3 ph4):f2
d10
(p2 ph1)
d10
(p4 ph9):f2
DELTA6
(p3 ph1):f2
d29
(p22 ph9):f3
DELTA5
(p21 ph1):f3
4u
p16:gp5
d16
(p1 ph6)
4u
p16:gp6
d16 pl0:f2
DELTA1
(lalign
(DELTA2 TAU2 p2 ph1 TAU2):f1
(p8:sp13 ph1):f2
(DELTA2 TAU3 p22 ph1 TAU3):f3
)
DELTA2
DELTA3
4u
p16:gp6
d16 pl2:f2
(p3 ph1 3u p3 ph7):f2
(p21 ph1 3u p21 ph7):f3
d12 pl12:f2 pl16:f3
4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
(p1 ph6)
go=2 ph31 cpd2:f2 cpd3:f3
# 1 "mc_line 179 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2 expanding mc command in line"
MCWRK do:f2 do:f3 wr #0 if #0 zd ip4 MCWRK ip5
lo to LBLSTS2 times 2
MCWRK id10 MCWRK id29
lo to LBLF2 times ST2CNT
MCWRK rd10 MCWRK rd29 MCWRK ip3 MCWRK ip8
lo to LBLSTS1 times 2
MCWRK id0
lo to LBLF1 times ST1CNT
MCWRK
# 187 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/noesyhsqcgpsm3d.2_new2"
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=2 0
ph6=0 0 1 1 2 2 3 3
ph7=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph8=1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3
ph9=0 0 1 1
ph10=2
ph31=0 2 1 3 2 0 3 1 2 0 3 1 0 2 1 3
;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)
;pl10: f1 channel - power level for TOCSY-spinlock (trim pulse)
;pl12: f2 channel - power level for CPD/BB decoupling
;pl16: f3 channel - power level for CPD/BB decoupling
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;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
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse [1 msec]
;p17: f1 channel - trim pulse [4 msec]
;p19: gradient pulse 2 [3 msec]
;p21: f3 channel - 90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p29: gradient pulse 3 [4 msec]
;d0 : incremented delay (F1 in 3D) [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(CH))
;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
;d26: 1/(4J(NH))
;d29: decremented delay (F2 in 3D) [3 usec]
;cnst2: = J(CH)
;cnst4: = J(NH)
;in0: 1/(2 * SW(H)) = DW(H)
;nd0: 2
;in10: 1/(2 * SW(C)) = DW(C)
;nd10: 2
;in29: in30 - in10
;in30: 1/(2 * SW(N)) = DW(N)
;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: States-TPPI (or TPPI) in F2
;cpd2: decoupling according to sequence defined by cpdprg2
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence
;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 : 40 : 16 : 60 : -36 : 16
;for z-only gradients:
;gpz1: 30%
;gpz2: 40%
;gpz3: 16%
;gpz4: 60%
;gpz5: -36%
;gpz6: 16%
;use gradient files:
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SINE.100
;gpnam4: SINE.100
;gpnam5: SINE.100
;gpnam6: SINE.100
;$Id: noesyhsqcgpsm3d.2,v 1.2 2004/01/22 14:58:58 ber Exp $