# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d"
;hncacbgp3d
;avance-version (07/04/04)
;HNCACB
;3D sequence with
; inverse correlation for triple resonance using multiple
; inept transfer steps
;
; F1(H) -> F3(N) -> F2(Ca -> Cb,t1) -> F3(N,t2) -> F1(H,t3)
;
;on/off resonance Ca and C=O pulses using shaped pulse
;phase sensitive (t1)
;phase sensitive using Echo/Antiecho gradient selection (t2)
;using constant time in t2
;(use parameterset HNCACBGP3D)
;
;M. Wittekind & L. Mueller, J. Magn. Reson. B 101, 201-205 (1993)
;D.R. Muhandiram & L.E. Kay, J. Magn. Reson. B 103, 203-216 (1994)
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
prosol relations=<triple>
# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
; for 1
;
;avance-version (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=
;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $
# 29 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d" 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 $
# 30 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d" 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 $
# 31 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d" 2
"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d13=4u"
"d21=5.5m"
"d23=12.4m"
"d26=2.3m"
"d28=3.6m"
"d0=3u"
"d10=d23/2-p14/2"
"d29=d23/2-p14/2-p26-d21-4u"
"d30=d23/2-p14/2"
"in0=inf1/2"
"in10=inf2/4"
"in29=in10"
"in30=in10"
"DELTA1=p16+d16+d13+4u"
"DELTA2=d23-d21-p26"
"DELTA3=d0*2+larger(p14,p22)-p14"
"DELTA4=d21-p16-d16-4u"
"spoff2=0"
"spoff3=0"
"spoff5=bf2*(cnst21/1000000)-o2"
"spoff8=0"
aqseq 321
# 1 "mc_line 72 file /opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d 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*d11"
"MCREST = d11 - d11"
dccorr
# 72 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d"
1 ze
# 1 "mc_line 72 file /opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d expanding definition of mc command after ze"
# 73 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d"
d11 pl16:f3
# 1 "mc_line 74 file /opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d expanding start label for mc command"
2 MCWRK * 2 do:f3
LBLSTS2, MCWRK * 3
LBLF2, MCWRK * 5
LBLSTS1, MCWRK * 2
LBLF1, MCWRK
MCREST
# 75 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d"
3 d1 pl1:f1
(p1 ph1)
d26 pl3:f3
(center (p2 ph1) (p22 ph1):f3 )
d26 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
(p1 ph2):f1
4u pl0:f1
(p11:sp1 ph1:r):f1
4u
p16:gp1
d16
(p21 ph3):f3
d21 pl19:f1
(p26 ph2):f1
DELTA2 cpds1:f1 ph1
(center (p14:sp3 ph1):f2 (p22 ph1):f3 )
d23
(p21 ph1):f3
(p13:sp2 ph4):f2
d28
(p14:sp3 ph1):f2
d28
(p13:sp8 ph2):f2
d0
(center (p14:sp5 ph1):f2 (p22 ph8):f3 )
d0
4u
(p14:sp3 ph1):f2
DELTA3
(p14:sp5 ph1):f2
4u
(p13:sp2 ph9):f2
d28
(p14:sp3 ph1):f2
d28
(p13:sp8 ph10):f2
(p21 ph1):f3
d30
(p14:sp5 ph1):f2
d30
(center (p14:sp3 ph1):f2 (p22 ph8):f3 )
d10
(p14:sp5 ph1):f2
d29
4u do:f1
(p26 ph7):f1
4u
p16:gp2*EA
d16
DELTA4 pl1:f1
(center (p1 ph1) (p21 ph5):f3 )
d26
(center (p2 ph1) (p22 ph1):f3 )
d26
(center (p1 ph2) (p21 ph6):f3 )
d26
(center (p2 ph1) (p22 ph1):f3 )
d26
(p1 ph1)
DELTA1
(p2 ph1)
d13
p16:gp3
d16 pl16:f3
4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
go=2 ph31 cpd3:f3
# 1 "mc_line 148 file /opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d expanding mc command in line"
MCWRK do:f3 wr #0 if #0 zd igrad EA MCWRK ip6*2
lo to LBLSTS2 times 2
MCWRK id10 MCWRK id29 MCWRK dd30
lo to LBLF2 times ST2CNT
MCWRK rd10 MCWRK rd29 MCWRK rd30 MCWRK dp9 MCWRK dp10
lo to LBLSTS1 times 2
MCWRK id0 MCWRK ip9*2
lo to LBLF1 times ST1CNT
MCWRK
# 151 "/opt/topspin2.1/exp/stan/nmr/lists/pp/hncacbgp3d"
exit
ph1=0
ph2=1
ph3=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph4=0
ph5=0 0 2 2
ph6=3 3 1 1
ph7=3
ph8=0 0 2 2
ph9=3 1
ph10=0 2 0 2 2 0 2 0
ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0
;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 (Cali on resonance)
;sp3: f2 channel - shaped pulse 180 degree (Cali on resonance)
;sp5: f2 channel - shaped pulse 180 degree (C=O off resonance)
;sp8: f2 channel - shaped pulse 90 degree (Cali on resonance)
; for time reversed pulse
;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
;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) = d23/2-p14/2
;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]
;d23: 1/(4J(NCa) [12.4 msec]
;d26: 1/(4J'(NH) [2.3 msec]
;d28: 1/(4J(CaCb) [3.6 msec]
;d29: incremented delay (F2 in 3D) = d23/2-p14/2-p26-d21-4u
;d30: decremented delay (F2 in 3D) = d23/2-p14/2
;cnst21: CO chemical shift (offset, in ppm)
;cnst23: Caliphatic chemical shift (offset, in ppm)
;o2p: Caliphatic chemical shift (cnst23)
;inf1: 1/SW(Cali) = 2 * DW(Cali)
;inf2: 1/SW(N) = 2 * DW(N)
;in0: 1/(2 * SW(Cali)) = DW(Cali)
;nd0: 2
;in10: 1/(4 * SW(N)) = (1/2) DW(N)
;nd10: 4
;in29: = in10
;in30: = in10
;NS: 8 * n
;DS: >= 16
;td1: number of experiments in F1
;td2: number of experiments in F2 td2 max = 2 * d30 / in30
;FnMODE: States-TPPI (or TPPI) in F1
;FnMODE: 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
;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
;$Id: hncacbgp3d,v 1.17 2007/04/11 13:34:30 ber Exp $