# 1 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
;cbcaconhgp3d
;avance-version (10/02/12)
;CBCACONH
;3D sequence with
;   inverse correlation for triple resonance using inept transfer steps 
;
;      F1(H) -> F2(Caliph.,t1 -> Ca) -> F2(C=O) -> 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-TPPI gradient selection (t2)
;using constant time in t1
;using constant time in t2
;(use parameterset CBCACONHGP3D)
;
;S. Grzesiek & A. Bax, J. Biomol. NMR 3, 185-204 (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 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (07/12/14)
;
;$CLASS=HighRes Incl
;$COMMENT=


# 165 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.9 2009/07/02 16:40:43 ber Exp $
# 29 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d" 2

# 1 "C:/Bruker/TopSpin3.1/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=

# 27 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 30 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d" 2

# 1 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version 00/02/07
;
;$CLASS=HighRes Incl
;$COMMENT=

# 9 "C:/Bruker/TopSpin3.1/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 "C:/Bruker/TopSpin3.1/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 "C:/Bruker/TopSpin3.1/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 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 31 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d" 2


# 34 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d12=20u"

"d3=1.1m-larger(p14,p22)"	;tau b
"d4=1.7m"			;tau a
"d21=12.4m"			;T N
"d22=3.6m"			;T C
"d23=3.6m"			;tau c
"d24=4.4m"			;tau d
"d25=5.5m"			;tau f
"d26=2.3m"			;tau g
"d27=12.4m"			;tau e

# 50 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
"d0=3u"
"d10=d21/2-p14/2"
"d20=d22+d0-p14-4u"
"d29=d21/2-p14/2-p26-d25-4u"
"d30=d21/2-p14/2"

"in0=inf1/2"
"in10=inf2/4"

"in20=in0"
"in29=in10"
"in30=in10"
# 64 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
"DELTA1=d22-d3-larger(p14,p22)-p2"
"DELTA2=d23-p14"
"DELTA3=d27-d24+4u"
"DELTA4=d25-p16-d16-4u"
"DELTA5=p16+d16+8u"


"spoff2=0"
"spoff3=0"
"spoff5=bf2*((cnst21-cnst23)/1000000)"
"spoff7=bf2*((cnst22-cnst21)/1000000)"
"spoff8=0"
# 78 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
aqseq 321


# 1 "mc_line 81 file C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d 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 d20orig
"d20orig=d20"
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
# 81 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
1 ze
# 1 "mc_line 81 file C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d exp. def. of mc cmd. after ze"
# 82 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
  d11 pl16:f3
# 1 "mc_line 83 file C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d exp. start label for mc cmd."
2 MCWRK  * 6 do:f3
LBLF2, MCWRK  * 6
LBLST2, MCWRK  * 7
LBLF1, MCWRK  * 6
LBLST1, MCWRK 
  MCREST
# 84 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
3 d11 fq=cnst23(bf ppm):f2
  d1
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  d12 pl1:f1 pl0:f2 pl3:f3
# 89 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
  (p1 ph1):f1
  d4
  (center (p2 ph1):f1 (p14:sp3 ph1):f2 )
  d4
  (p1 ph2):f1

  (p13:sp2 ph3):f2
  d0
  (center (p14:sp5 ph1):f2 (p22 ph1):f3 )
  d3
  (p2 ph10)
  DELTA1 pl19:f1
  (p14:sp3 ph1):f2
  d20
  (p14:sp5 ph1):f2
  4u
  (p13:sp8 ph1):f2

  4u cpds1:f1 ph2
  (p14:sp5 ph1):f2
  DELTA2
  (p14:sp3 ph1):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p13:sp2 ph1):f2
# 116 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
  4u do:f1
  (p26 ph9):f1
  p16:gp1
  d16 fq=cnst21(bf ppm):f2
  (p26 ph2):f1
  20u cpds1:f1 ph1

  (p13:sp2 ph4):f2
  d24
  (p14:sp7 ph1):f2
  DELTA3
  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )
  d27
  (p14:sp7 ph1):f2
  4u
  (p13:sp8 ph1):f2

  (p21 ph11):f3
  d30
  (p14:sp7 ph1):f2
  d30
  (center (p14:sp3 ph1):f2 (p22 ph8):f3 )
  d10
  (p14:sp7 ph1):f2
  d29
  4u do:f1
  (p26 ph7):f1
  4u
  p16:gp2*EA
  d16 
  DELTA4 pl1:f1
# 148 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
  (center (p1 ph1):f1 (p21 ph5):f3 )
  d26
  (center (p2 ph1):f1 (p22 ph1):f3 )
  d26
  (center (p1 ph2):f1 (p21 ph6):f3 )
  d26
  (center (p2 ph1):f1 (p22 ph1):f3 )
  d26
  (p1 ph1):f1

  DELTA5
  (p2 ph1):f1
  4u
  p16:gp3
  d16 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd3:f3
# 1 "mc_line 165 file C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d exp. mc cmd. in line"
  MCWRK  do:f3 wr #0 if #0 zd 

  "ph2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "d20=d20orig - t1loop * in20 "
      "phval3 = (ph1loop % 4) * 90"
      MCWRK ip3 + phval3
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval11 = (t2loop * 180)%360"
      MCWRK ip11 + phval11
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLF2 times 2
  MCWRK 

  "t2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "d20=d20orig - t1loop * in20 "
      "phval3 = (ph1loop % 4) * 90"
      MCWRK ip3 + phval3
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval11 = (t2loop * 180)%360"
      MCWRK ip11 + phval11
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLST2 times ST2CNT
  MCWRK 
  "t2loop=0"
  "ph2loop=0"
  MCWRK 

  "ph1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "d20=d20orig - t1loop * in20 "
      "phval3 = (ph1loop % 4) * 90"
      MCWRK ip3 + phval3
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval11 = (t2loop * 180)%360"
      MCWRK ip11 + phval11
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "d20=d20orig - t1loop * in20 "
      "phval3 = (ph1loop % 4) * 90"
      MCWRK ip3 + phval3
      "d10=d10orig + t2loop * in10 "
      "d29=d29orig + t2loop * in29 "
      "d30=d30orig - t2loop * in30 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval11 = (t2loop * 180)%360"
      MCWRK ip11 + phval11
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK
# 168 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
exit

# 171 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
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=3 3 1 1
ph7=3
ph8=0 0 0 0 2 2 2 2
ph9=2
ph10=0 0 2 2
ph11=0
ph31=0 2 2 0 0 2 2 0 2 0 0 2 2 0 0 2


;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
;sp2: f2 channel - shaped pulse  90 degree  (on resonance)
;sp3: f2 channel - shaped pulse 180 degree  (on resonance)
;sp5: f2 channel - shaped pulse 180 degree  (C=O off resonance)
;sp7: f2 channel - shaped pulse 180 degree  (Ca off resonance)
;sp8: f2 channel - shaped pulse  90 degree  (on resonance)
;                  for time reversed pulse
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;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
;d3 : tau b : 1.1m-p14
;d4 : 1/(4J(CH)) - tau a                               [1.7 msec]
;d10: incremented delay (F2 in 3D) =  d21/2-p14/2
;d11: delay for disk I/O                               [30 msec]
;d12: delay for power switching                        [20 usec]
;d16: delay for homospoil/gradient recovery
;d20: decremented delay (F1 in 3D) = d22+d0-p14-4u
;d21: T(N)                                             [12.4 msec]
;d22: T(C)                                             [3.6 msec]
;d23: tau c                                            [3.6 msec]
;d24: tau d                                            [4.4 msec]
;d25: tau f                                            [5.5 msec]
;d26: 1/(4J(NH)) - tau g                               [2.3 msec]
;d27: tau e                                            [12.4 msec]
;d29: incremented delay (F2 in 3D) = d21/2-p14/2-p26-d25-4u
;d30: decremented delay (F2 in 3D) = d21/2-p14/2
;cnst21: CO chemical shift (offset, in ppm)
;cnst22: Calpha 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
;in20: = in0
;in29: = in10
;in30: = in10
;NS: 4 * n
;DS: >= 16
;td1: number of experiments in F1       td1 max = 2 * d20 / in20
;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
# 247 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
;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: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
# 262 "C:/Bruker/TopSpin3.1/exp/stan/nmr/lists/pp/cbcaconhgp3d"
;$Id: cbcaconhgp3d,v 1.16 2010/02/12 15:03:54 ber Exp $