# 1 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
# 1 "<built-in>"
# 1 "<command-line>"
# 1 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
;trhncocacbgp2h3d
;avance-version (15/02/27)
;TROSY-HNCOCACB
;3D sequence with
;   inverse correlation for triple resonance
;      via TROSY and inept transfer steps
;      inept transfer steps
;
;      F1(H) -> F3(N) -> F2(C=O) -> F2(Ca -> Cb,t1)
;            -> 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 (t2)
;using constant time in t2
;with H-2 decoupling - requires lockswitch unit or BSMS 2H-TX board
;with H-1 180degree pulses in t1
;(use parameterset TRHNCOCACB2H3D)
;
;M. Salzmann, G. Wider, K. Pervushin, H. Senn & K. Wuethrich,
;   J. Am. Chem. Soc. 121, 844-848 (1999)
;(A. Eletsky, A. Kienhoefer & K. Pervushin,
;   J. Biomol. NMR 20, 188-180 (2001))
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>
# 1 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (13/06/17)
;
;$CLASS=HighRes Incl
;$COMMENT=


# 169 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance3.incl,v 1.10.2.2 2013/08/30 09:43:33 ber Exp $
# 36 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d" 2

# 1 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl  -  include file for Gradient Spectroscopy
;   for TCU3
;
;avance-version (07/01/17)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 27 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.14 2012/01/31 17:49:21 ber Exp $
# 37 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d" 2

# 1 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version (13/08/07)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 9 "/opt/topspin3.6.3/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 DELTA9
define delay DELTA10
define delay DELTA11
define delay DELTA12
define delay DELTA13
define delay DELTA14
define delay DELTA15
define delay DELTA16

define delay TAU
define delay TAU1
define delay TAU2
define delay TAU3
define delay TAU4
define delay TAU5
define delay TAU6
define delay TAU7
define delay TAU8
define delay TAU9
# 40 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Delay.incl"
define delay INCR1
define delay INCR2
define delay INCR3
define delay INCR4
define delay INCR5
define delay INCR6


;delays for centering pulses
# 50 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Delay.incl"
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
# 69 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Delay.incl"
define loopcounter COUNTER
define loopcounter SCALEF
define loopcounter FACTOR1
define loopcounter FACTOR2
define loopcounter FACTOR3
define loopcounter FACTOR4
define loopcounter FACTOR5
define loopcounter FACTOR6


# 80 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.14.2.1 2013/08/30 09:43:33 ber Exp $
# 38 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d" 2


"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d12=20u"
# 45 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
"d22=4m"
"d23=12m"
"d26=2.3m"


# 52 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
"d28=3.6m"


# 56 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
"d0=3u"
"d10=3u"
"d30=d23-p11-8u-p1"

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

"in30=in10"
;"td2=(tdmax(td2,d30*2,in30))"# 68 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
"DELTA=d0*4+larger(p14,p22)-p14+p2*2-4u"
"DELTA1=d26-p11-p16-d16-8u"
"DELTA2=d22-p14-4u"
"DELTA3=d23-d10-p14-p21*4/3.1416"
"DELTA4=d26-p16-d16"


"l0=1"
# 78 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
"spoff2=0"
"spoff3=0"
"spoff5=bf2*((cnst22-cnst21)/1000000)"
"spoff7=bf2*((cnst21-cnst23)/1000000)"
"spoff8=0"


aqseq 321
# 1 "mc_line 88 file /opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d exp. def. part of mc cmd. before ze"
; dimension 3D; AQ_mode  (F2) Echo-Antiecho (F1) States-TPPI
define delay MCWRK
define delay MCREST
define delay d0orig
"d0orig=d0"
define delay d10orig
"d10orig=d10"
define delay d30orig
"d30orig=d30"
define loopcounter l0orig
"l0orig=l0"
define loopcounter t2loop
"t2loop=0"
define loopcounter t1loop
"t1loop=0"
define loopcounter ph1loop
"ph1loop=0"
define loopcounter ph2loop
"ph2loop=0"
define loopcounter ST1CNT
"ST1CNT = trunc(td1 / 2)"
define loopcounter ST2CNT
"ST2CNT = trunc((tdmax(td2,d30*2,in30)) / 2)"
"MCREST = d11 - d11"
"MCWRK = 0.055556*d11"

    dccorr
# 88 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
# 88 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
1 d11 ze
# 1 "mc_line 88 file /opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d exp. def. of mc cmd. after ze"
LBLAV, MCWRK
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval11 = (ph1loop % 4) * -90"
      MCWRK ip11 + phval11
      "d10=d10orig + t2loop * in10 "
      "d30=d30orig - t2loop * in30 "
      "phval9 = (ph2loop % 2) * 180"
      MCWRK ip9 + phval9
      "l0 = l0orig + ph2loop * 1"

# 89 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
  d11 setnmr4|28
  50u setnmr3|0
  d11 h2pulse       ;setnmr4|24 or interleave_incr
  d11 pl17:f4

# 1 "mc_line 94 file /opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d exp. start label for mc cmd."
2 MCWRK  * 4
LBLF2, MCWRK  * 4
LBLST2, MCWRK  * 5
LBLF1, MCWRK  * 4
LBLST1, MCWRK
  MCREST
# 95 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
3 d11 h2lock         ;setnmr4^24 or interleave_incr
  9m setnmr3^0
  d1 pl1:f1 fq=cnst21(bf ppm):f2
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  d12 h2pulse       ;setnmr4|24 or interleave_incr

  p1 ph1
  4u pl0:f1
  (p11:sp1 ph3:r):f1
  4u
  p16:gp1
  d16 pl1:f1
  DELTA1
  (center (p2 ph2) (p22 ph1):f3 )
  DELTA1
  p16:gp1
  d16 pl0:f1
  (p11:sp1 ph4:r):f1
  4u
  4u pl1:f1
  (p1 ph4):f1 
# 117 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
  (p21 ph1):f3
  d23
  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )
  d23
  (p21 ph2):f3

  (p13:sp2 ph5):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p14:sp3 ph1):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p13:sp8 ph2):f2

  4u
  30u fq=cnst23(bf ppm):f2
  20u cpd4:f4
# 137 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
  (p13:sp2 ph6):f2
  d28
  (p14:sp3 ph1):f2
  d28
  (p13:sp8 ph2):f2

  d0
  (p2 ph1):f1
  d0
  (center (p14:sp7 ph1):f2 (p22 ph1):f3 )
  d0
  (p2 ph1):f1
  d0
  (p14:sp3 ph1):f2
  DELTA
  (p14:sp7 ph1):f2
  4u

  (p13:sp2 ph10):f2
  d28
  (p14:sp3 ph1):f2
  d28
  (p13:sp8 ph11):f2
# 161 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
  4u do:f4
  30u fq=cnst21(bf ppm):f2

  (p13:sp2 ph2):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p14:sp3 ph1):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p13:sp8 ph1):f2

  if "l0 %2 == 1"
     {
     (p21 ph7):f3
     }
  else
     {
     (p21 ph8):f3
     }
# 183 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
  d10
  (p14:sp5 ph1):f2
  DELTA3
  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )
  d30 pl0:f1
  (p11:sp1 ph1:r):f1
  4u
  4u pl1:f1

  (p1 ph9)
  p16:gp2
  d16
  DELTA4
  (center (p2 ph1) (p22 ph1):f3 )
  DELTA4
  p16:gp2
  d16
  (center (p1 ph1) (p21 ph9):f3 )
  p16:gp3
  d16
  DELTA1 pl0:f1
  (p11:sp1 ph3:r):f1
  4u
  4u pl1:f1
  (center (p2 ph1) (p22 ph1):f3 )
  4u pl0:f1
  (p11:sp1 ph3:r):f1
  DELTA1
  p16:gp3
  d16 pl1:f1
  4u setnmr0^34^32^33 ctrlgrad 7
  (p21 ph1):f3
  go=2 ph31
# 1 "mc_line 216 file /opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d exp. mc cmd. in line"
  MCWRK  wr #0 if #0 zd 

  "ph2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval11 = (ph1loop % 4) * -90"
      MCWRK ip11 + phval11
      "d10=d10orig + t2loop * in10 "
      "d30=d30orig - t2loop * in30 "
      "phval9 = (ph2loop % 2) * 180"
      MCWRK ip9 + phval9
      "l0 = l0orig + ph2loop * 1"

  lo to LBLF2 times 2
  MCWRK 

  "t2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval11 = (ph1loop % 4) * -90"
      MCWRK ip11 + phval11
      "d10=d10orig + t2loop * in10 "
      "d30=d30orig - t2loop * in30 "
      "phval9 = (ph2loop % 2) * 180"
      MCWRK ip9 + phval9
      "l0 = l0orig + ph2loop * 1"

  lo to LBLST2 times ST2CNT
  MCWRK 
  "t2loop=0"
  "ph2loop=0"
  MCWRK 

  "ph1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval11 = (ph1loop % 4) * -90"
      MCWRK ip11 + phval11
      "d10=d10orig + t2loop * in10 "
      "d30=d30orig - t2loop * in30 "
      "phval9 = (ph2loop % 2) * 180"
      MCWRK ip9 + phval9
      "l0 = l0orig + ph2loop * 1"

  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval10 = (ph1loop % 4) * -90"
      MCWRK ip10 + phval10
      "phval11 = (ph1loop % 4) * -90"
      MCWRK ip11 + phval11
      "d10=d10orig + t2loop * in10 "
      "d30=d30orig - t2loop * in30 "
      "phval9 = (ph2loop % 2) * 180"
      MCWRK ip9 + phval9
      "l0 = l0orig + ph2loop * 1"

  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK rf #0
  lo to LBLAV times tdav
# 219 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"

  d11 h2lock         ;setnmr4^24 or interleave_incr
  d11 setnmr3^0
  d11 setnmr4^28
# 224 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
exit


ph1=0
ph2=1 
ph3=2
ph4=3
ph5=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph6=0
ph7=2 0 1 3
ph8=2 0 3 1
ph9=3
ph10=3 3 3 3 1 1 1 1
ph11=0 0 0 0 2 2 2 2
ph31=1 3 2 0 3 1 0 2 3 1 0 2 1 3 2 0
# 241 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
;pl0 : 0W
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl17: f4 channel - power level for CPD/BB decoupling
;sp1: f1 channel - shaped pulse  90 degree  (H2O on resonance)
;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  (Ca off resonance)
;sp7: f2 channel - shaped pulse 180 degree  (C=O 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
;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
;d0 : incremented delay (F1 in 3D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;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
;d22: 1/(4J(COCa)                                      [4 msec]
;d23: 1/(4J(NCO)                                       [12 msec]
;d26: 1/(4J'(NH)                                       [2.3 msec]
;d28: 1/(4J(CaCb)                                      [3.6 msec]
;d30: decremented delay (F2 in 3D) = d23-p11-8u-p1
;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/(4 * SW(Cali)) =  (1/2) DW(Cali)
;nd0: 4
;in10: 1/(2 * SW(N)) = DW(N)
;nd10: 2
;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
;cpd4: decoupling according to sequence defined by cpdprg4
;pcpd4: f4 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 1 : gp 2 : gp 3
;                         30 :   18 :   44
# 295 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
;for z-only gradients:
;gpz1: 30%
;gpz2: 18%
;gpz3: 44%

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

# 307 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
                                          ;preprocessor-flags-start
;LABEL_CB: for Cb only start experiment with
;             option -DLABEL_CB (eda: ZGOPTNS)
                                          ;preprocessor-flags-end


# 314 "/opt/topspin3.6.3/exp/stan/nmr/lists/pp/trhncocacbgp2h3d"
;$Id: trhncocacbgp2h3d,v 1.22.2.2 2017/05/04 17:01:35 ber Exp $
