# 1 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
; MFhnco_best
; modif FT 160524
; 937 1027 00 00 0210
; -----------------
; BEST 3D HNCO 
; with RDC-option to get the CO-Ca coupling

; F2: NH    d50, d51, d52
; F1: CO    d40

;ds: use at least 4 dummy scans
;ns: !!!!! use 8*n scans only !!!!!
; -----------------
; Peter Schmieder
; Monika Beerbaum, 04.04.2012
; N-2011
;_________________________________
# 19 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
prosol relations=<triple>

# 1 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for TCU3
;
;avance-version (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 141 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance2.incl,v 1.23 2009/07/23 15:57:04 ber Exp $
# 21 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best" 2

# 1 "/opt/topspin3.1/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/topspin3.1/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 22 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best" 2

# 1 "/opt/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 "/opt/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 "/opt/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 "/opt/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 "/opt/topspin3.1/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 23 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best" 2


"in50 = inf2/2"
"in40 = inf1/2"
# 28 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
"p6 = 2.0*p5"

"d11 = 30m"
"d12 = 20u"
"d13 = 3u"

"TAU = 2.25m - p60 - d60 - 50u - 0.5*p23"
"TAU1 = 2.25m - p60 - d60 - 50u"
# 37 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
"DELTA1 = 13.6m"
"DELTA3 = larger(p24,p32)"

"d40 = 3u"

"d51 = 3u"
"d52 = 13.6m"
"DELTA2 = d52 - p24 - d51"
# 46 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
"in51 = in50"
"in52 = in50"


;"max_TD2 = 2*(1 + d52/in52)"
# 53 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
aqseq 321

# 1 "mc_line 55 file /opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best exp. def. part of mc cmd. before ze"
; dimension 3 aq-mode (F2) States-TPPI (F1) States-TPPI  F2->F1
define delay MCWRK
define delay MCREST
define delay d40orig
"d40orig=d40"
define delay d51orig
"d51orig=d51"
define delay d52orig
"d52orig=d52"
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 = 0.071429*d11"
"MCREST = d4 - d11"

    dccorr
# 55 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
1 ze
# 1 "mc_line 55 file /opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best exp. def. of mc cmd. after ze"
# 56 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
# 1 "mc_line 56 file /opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best exp. start label for mc cmd."
2 MCWRK  * 3 do:f3
LBLF2, MCWRK  * 3
LBLST2, MCWRK  * 4
LBLF1, MCWRK  * 3
LBLST1, MCWRK 
  MCREST
# 57 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
  d12 pl61:f1
  d12 pl62:f2
  d12 pl3:f3
  (p23:sp23 ph1):f1
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  TAU
  p60:gp26
  d60
  (center (p22:sp22 ph1):f1 (p6 ph1):f3)
  50u
  p60:gp26
  d60
  TAU
  (p23:sp23 ph4):f1
  d13
  p61:gp22
  d61
;----------------------------------------
  (p5 ph9):f3
  DELTA1
  (center (p42:sp42 ph1):f2 (p6 ph1):f3)
  DELTA1
  (p5 ph1):f3
  d13
;----------------------------------------
  (p41:sp41 ph8):f2
  d40

# 87 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
  (center (p24:sp24 ph1):f1 (p32:sp32 ph1):f2 (p6 ph1):f3)

  d40
  (p42:sp42 ph1):f2
  d13
  (center (DELTA3) (p32:sp32 ph1):f2)
  (p32:sp32 ph1):f2
  d13
  (p41:sp41 ph1):f2
;----------------------------------------
  d13
  (p5 ph5):f3
  d51
  (center(p24:sp24 ph1):f1 (p32:sp32 ph1):f2)
  DELTA2
  (center (p42:sp42 ph1):f2 (p6 ph1):f3)
  d52
  (p5 ph1):f3
;----------------------------------------
  d13
  (p23:sp23 ph1):f1
  TAU
  50u
  p60:gp26
  d60
  (center (p22:sp22 ph1):f1 (p6 ph1):f3)
  45u
  p60:gp26
  d60
  TAU1 pl16:f3
  5u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd3:f3
# 1 "mc_line 119 file /opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best exp. mc cmd. in line"
  MCWRK  do:f3 wr #0 if #0 zd 

  "ph2loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval5 = (ph2loop % 4) * 90"
      MCWRK ip5 + phval5
  lo to LBLF2 times 2
  MCWRK 

  "t2loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval5 = (ph2loop % 4) * 90"
      MCWRK ip5 + phval5
  lo to LBLST2 times ST2CNT
  MCWRK 
  "t2loop=0"
  "ph2loop=0"
  MCWRK 

  "ph1loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval5 = (ph2loop % 4) * 90"
      MCWRK ip5 + phval5
  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval5 = (ph2loop % 4) * 90"
      MCWRK ip5 + phval5
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK
# 122 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
exit

ph1 = 0
ph2 = 1
ph3 = 3
ph4 = 1
# 129 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
ph5 = 1 1 3 3
ph8 = 0 2
ph9 = 1 1 1 1 3 3 3 3

ph29 = 0

# 136 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
ph31 = 0 2 2 0 2 0 0 2


# 140 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;PARAMETER


;__________Pulses__________
# 145 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;p5 :90deg high power pulse f3 (pl3)
;p6 :180deg high power pulse f3 (pl3)
;p22 :180deg sel. HN pulse f1 (sp22)
;p23 :90deg sel. HN pulse f1 (sp23)
;p24 :180deg broadband inversion pulse f1 (sp24)
;p32 :sel. 180deg off res. pulse on Ca (sp32)
;p41 :sel. 90deg on res. pulse on CO (sp41)
;p42 :sel. 180deg on res. pulse on CO (sp42)
;p60 :short gradient pulse   [200 usec]
;p61 :gradient pulse   [1 msec]


;_________power level for hard pulses__________
# 159 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;pl1 :high power for protons f1
;pl3 :high power for 15N f3
;pl61 :dummy power for f1 [1000dB]
;pl62 :dummy power for f2   [1000dB]


;__________parameters for shaped pulses__________
# 167 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;sp22 :power for selective pulse p22
;spnam22 :shape for p22   [Reburp.1000]
;spoffs22 :offset for p22 (o1 to HN)

;sp23 :power for selective pulse p23
;spnam23 :shape for p23   [Pc9_4_90.1000]
;spoffs23 :offset for p23 (o1 to HN)

;sp24 :power for selective pulse p24
;spnam24 :shape for p24   [BIP720,50,20.1]
;spoffs24 :offset for p24 [0]
# 179 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;sp32 :power for selective pulse p32
;spnam32 :shape for p32   [ps_square_128]
;spoffs32 :offset for p32 (CO to Ca)

;sp41 :power for selective pulse p41
;spnam41 :shape for p41    [ps_square_128]
;spoffs41 :offset for p41  [0]

;sp42 :power for selective pulse p42
;spnam42 :shape for p42    [ps_square_128]
;spoffs42 :offset for p42  [0]
# 192 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;__________Gradients_________

;gpz22 :gradient power [35%]
;gpz26 :gradient power [80%]

;gpnam22 :shape for gradient p61 [SINE.100]
;gpnam26 :shape for gradient p60 [SINE.20]
# 201 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;__________decoupling__________

;pcpd3 :90 deg 15N decoupling pulse (pl16)
;cpdprg3 :decoupling sequence in f3 [waltz16]
;pl16 :power for 15N cpd-decoupling

# 208 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;_________delays__________

;d4 :relaxation delay [600 msec]
;d11 :delay for disk I/O        [30 msec]
;d12 :delay for power switching [20 usec]
;d13 :short delay               [ 3 usec]
;d40 :second incremented delay CO
;d50 :first incremented delay NH
;d51 :first incremented delay NH
;d52 :first incremented delay NH
;d60 :gradient recovery delay    [100 usec]
;d61 :gradient recovery delay    [500 usec]
;TAU :1/(2J) HN-N
;TAU1 :1/(4J) HN-N

# 224 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;__________constants__________

;cnst40 :!!!!! scaling for first point f1 CO !!!!!
;max_TD1 :max. possible number of points in f1 (NH)

# 230 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;__________increments__________

;in40 :increment for CO
;in50 :increment for N
;in51 :increment for N
;in52 :increment for N

# 238 "/opt/topspin3.1/exp/stan/nmr/lists/pp/user/MFhnco_best"
;__________options__________

;zgoptns :-Drdc   to get the CO-Ca coupling
