# 1 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
;hncacbgp3d
;avance-version (10/02/12)
;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/topspin3.03/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (07/12/14)
;
;$CLASS=HighRes Incl
;$COMMENT=


# 165 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: pulseprogram,v 1.1 2021/02/10 22:16:22 bmrbsvc Exp $
# 29 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d" 2

# 1 "/opt/topspin3.03/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=

# 27 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: pulseprogram,v 1.1 2021/02/10 22:16:22 bmrbsvc Exp $
# 30 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d" 2

# 1 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version 00/02/07
;
;$CLASS=HighRes Incl
;$COMMENT=

# 9 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Delay.incl"
;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
# 29 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Delay.incl"
;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

# 48 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Delay.incl"
;loop counters

define loopcounter COUNTER
define loopcounter SCALEF
define loopcounter FACTOR1
define loopcounter FACTOR2
define loopcounter FACTOR3

# 58 "/opt/topspin3.03/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: pulseprogram,v 1.1 2021/02/10 22:16:22 bmrbsvc Exp $
# 31 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d" 2


# 34 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d13=4u"

"d21=5.5m"
"d23=12.4m"
"d26=2.3m"

# 46 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
"d28=3.6m"


# 50 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
"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"
# 62 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
"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"
# 74 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
aqseq 321


# 1 "mc_line 77 file /opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d exp. def. part of mc cmd. before ze"
; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI  F2->F1
define delay MCWRK
define delay MCREST
define delay d0orig
"d0orig=d0"
define delay d10orig
"d10orig=d10"
define delay d29orig
"d29orig=d29"
define delay d30orig
"d30orig=d30"
define loopcounter t2loop
"t2loop=0"
define loopcounter t1loop
"t1loop=0"
define loopcounter ph1loop
"ph1loop=0"
define loopcounter ph2loop
"ph2loop=0"
define loopcounter ST1CNT
"ST1CNT = td1/(2)"
define loopcounter ST2CNT
"ST2CNT = td2/(2)"
"MCWRK = 0.038462*d11"
"MCREST = d11 - d11"

    dccorr
# 77 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
1 ze
# 1 "mc_line 77 file /opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d exp. def. of mc cmd. after ze"
# 78 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
  d11 pl16:f3 
# 1 "mc_line 79 file /opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d exp. start label for mc cmd."
2 MCWRK  * 6 do:f3
LBLF2, MCWRK  * 6
LBLST2, MCWRK  * 7
LBLF1, MCWRK  * 6
LBLST1, MCWRK 
  MCREST
# 80 "/opt/topspin3.03/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 
# 87 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
  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
# 107 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
  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
# 137 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
  (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 153 file /opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d exp. mc cmd. in line"
  MCWRK  do:f3 wr #0 if #0 zd 

  "ph2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval9 = (ph1loop % 4) * -90"
      MCWRK ip9 + phval9
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval9 = phval9 + (t1loop * 180)%360"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval6 = (ph2loop % 2) * 180"
      MCWRK ip6 + phval6
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLF2 times 2
  MCWRK 

  "t2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval9 = (ph1loop % 4) * -90"
      MCWRK ip9 + phval9
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval9 = phval9 + (t1loop * 180)%360"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval6 = (ph2loop % 2) * 180"
      MCWRK ip6 + phval6
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLST2 times ST2CNT
  MCWRK 
  "t2loop=0"
  "ph2loop=0"
  MCWRK 

  "ph1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval9 = (ph1loop % 4) * -90"
      MCWRK ip9 + phval9
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval9 = phval9 + (t1loop * 180)%360"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval6 = (ph2loop % 2) * 180"
      MCWRK ip6 + phval6
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval9 = (ph1loop % 4) * -90"
      MCWRK ip9 + phval9
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval9 = phval9 + (t1loop * 180)%360"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval6 = (ph2loop % 2) * 180"
      MCWRK ip6 + phval6
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK
# 156 "/opt/topspin3.03/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
# 173 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
;pl0 : 0W
;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
# 231 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
;for z-only gradients:
;gpz1: 30%
;gpz2: 80%
;gpz3: 8.1%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100

# 243 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
                                          ;preprocessor-flags-start
;LABEL_CB: for Cb only start experiment with
;             option -DLABEL_CB (eda: ZGOPTNS)
                                          ;preprocessor-flags-end


# 250 "/opt/topspin3.03/exp/stan/nmr/lists/pp/hncacbgp3d"
;$Id: pulseprogram,v 1.1 2021/02/10 22:16:22 bmrbsvc Exp $