# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp"
;hncagpwg3d
;avance-version (02/05/31)
;HNCA
;3D sequence with
;   inverse correlation for triple resonance using multiple
;      inept transfer steps
;
;      F1(H) -> F3(N) -> F2(Ca,t1) -> F3(N,t2) -> F1(H,t3)
;
;on/off resonance Ca and C=O pulses using shaped pulse
;phase sensitive (t1)
;phase sensitive (t2)
;using constant time in t2
;water suppression using watergate sequence
;(use parameterset HNCAGPWG3D)
;
;S. Grzesiek & A. Bax, J. Magn. Reson. 96, 432 - 440 (1992)
;(J. Schleucher, M. Sattler & C. Griesinger, Angew. Chem. Int. Ed. 32,
;   1489-1491 (1993))
;(L.E. Kay, G.Y. Xu & T. Yamazaki, J. Magn. Reson. A109, 129-133 (1994))


prosol relations=<triple>


# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (03/02/17)





















































































































;$Id: Avance2.incl,v 1.7.2.3 2003/02/25 14:48:48 ber Exp $
# 26 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp" 2

# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl  -  include file for Gradient Spectroscopy
;   for 1
;
;avance-version (02/05/31)



















define list<gradient> EA=<EA>



;$Id: Grad2.incl,v 1.7 2002/06/12 09:04:22 ber Exp $
# 27 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp" 2

# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version 00/02/07


;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 1.11 2002/06/12 09:04:22 ber Exp $
# 28 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp" 2




"d0=3u"

"d11=30m"

"d13=4u"

"d21=5.5m"
"d23=12m"
"d26=2.3m"


"in29=in10"
"in30=in10"
"p2=p1*2"
"p22=p21*2"

"d10=d23/2-p14/2"
"d29=d23/2-p14/2-p26-d21-4u"
"d30=d23/2-p14/2"


"DELTA=d0*2+larger(p14,p22)-p14"
"DELTA1=d23-d21-p26"
"DELTA2=d26-p16-d16-p11-12u"


"spoff2=0"
"spoff3=0"
"spoff5=bf2*(cnst21/1000000)-o2"
"spoff8=0"


aqseq 321


# 1 "mc_line 67 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp 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 = 0.111111*d11"
"MCREST = d11 - d11"
# 67 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp"
1 d11 ze
# 1 "mc_line 67 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp expanding definition of mc command after ze"
# 68 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp"
  d11 pl16:f3 
# 1 "mc_line 69 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp expanding start label for mc command"
2 MCWRK  do:f3
LBLSTS2, MCWRK  * 3
LBLF2, MCWRK  * 4
LBLSTS1, MCWRK 
LBLF1, MCREST
# 70 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp"
3 d1 pl1:f1
  p1 ph1
  d26 pl3:f3
  (center (p2 ph1) (p22 ph1):f3 )
  d26 setnmr3|0 setnmr0|34|32|33
  (p1 ph2):f1 

  4u pl0:f1
  (p11:sp1 ph1:r):f1
  4u
  p16:gp1
  d16

  (p21 ph3):f3
  d21 pl19:f1
  (p26 ph2):f1
  DELTA1 cpds1:f1 ph1
  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )
  d23
  (p21 ph1):f3

  (p13:sp2 ph4):f2
  d0
  (center (p14:sp5 ph1):f2 (p22 ph8):f3 )
  d0
  4u
  (p14:sp3 ph1):f2
  DELTA
  (p14:sp5 ph1):f2
  4u
  (p13:sp8 ph1):f2

  4u do:f1
  (p26 ph7):f1
  4u
  p16:gp2
  d16
  (p26 ph2):f1
  20u cpds1:f1 ph1

  (p21 ph5):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
  d21
  (p21 ph1):f3

  p16:gp3
  d16 pl0:f1
  (p11:sp1 ph6):f1
  4u
  4u pl1:f1

  (p1 ph1) 
  4u
  p16:gp4
  d16
  DELTA2 pl0:f1
  (p11:sp1 ph6):f1
  4u
  4u pl1:f1
  (center (p2 ph1) (p22 ph1):f3 )
  4u pl0:f1
  (p11:sp1 ph6):f1
  4u
  DELTA2
  p16:gp4
  d16 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33
  go=2 ph31 cpd3:f3 
# 1 "mc_line 146 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp expanding mc command in line"
  MCWRK  do:f3 wr #0 if #0 zd ip5
  lo to LBLSTS2 times 2
  MCWRK id10  MCWRK  id29  MCWRK  dd30
  lo to LBLF2 times ST2CNT
  MCWRK rd10  MCWRK  rd29  MCWRK  rd30  MCWRK  ip4
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
# 149 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hncagpwg3d.fp"
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=0 0 2 2
ph6=2
ph7=3
ph8=0 0 0 0 2 2 2 2
ph31=0 2 2 0 0 2 2 0 2 0 0 2 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
;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  (Ca on resonance)
;sp3: f2 channel - shaped pulse 180 degree  (Ca on resonance)
;sp5: f2 channel - shaped pulse 180 degree  (C=O off resonance)
;sp8: f2 channel - shaped pulse  90 degree  (Ca 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             [1 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 msec]
;d26: 1/(4J'(NH)                                       [2.3 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)
;cnst22: Calpha chemical shift (offset, in ppm)
;o2p: Calpha chemical shift (cnst22)
;in0: 1/(2 * SW(Ca)) =  DW(Ca)
;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: States-TPPI (or TPPI) 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 : gp 4
;                         50 :   40 :   60 :   30

;for z-only gradients:
;gpz1: 50%
;gpz2: 40%
;gpz3: 60%
;gpz4: 30%

;use gradient files:   
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SINE.100
;gpnam4: SINE.100



;$Id: hncagpwg3d,v 1.1 2002/06/12 09:04:46 ber Exp $