# 1 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
; MFhncacb_best
; modif FT 160524
; 936 1026 00 00 0210
; -----------------
; BEST 3D HNCACB

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

;ds: use at least 8 dummy scans
;ns: !!!!! use 16*n scans only !!!!!
; -----------------
; Peter Schmieder
; Monika Beerbaum, 24.05.2012
; N-2011
;_________________________________
# 18 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
prosol relations=<triple>

# 1 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=

# 141 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: Avance2.incl,v 1.23 2009/07/23 15:57:04 ber Exp $
# 20 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best" 2

# 1 "/opt/topspin3.0/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/topspin3.0/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "/opt/topspin3.0/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: Grad2.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 21 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best" 2

# 1 "/opt/topspin3.0/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/topspin3.0/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/topspin3.0/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/topspin3.0/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/topspin3.0/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: Delay.incl,v 1.13 2009/07/02 16:40:43 ber Exp $
# 22 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best" 2


# 26 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
"in50 = inf2/2"
"in40 = inf1/2"

"p6 = 2.0*p5"

"d11 = 30m"
"d12 = 20u"
"d13 = 3u"
# 35 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
"TAU = 2.25m - p60 - d60 - 50u - 0.5*p23"
"TAU1 = 2.25m - p60 - d60 - 50u"

"DELTA1 = 11m"
"DELTA3 = cnst3*3.6m"

"d40 = 3u"
# 43 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
"d51 = 3u"
"d52 = 11m"
"DELTA2 = d52 - p24 - d51"

"in51 = in50"
"in52 = in50"

;"max_TD2 = 2*(1 + d52/in52)"
# 52 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
aqseq 321

# 1 "mc_line 54 file /opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_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 = 0.045455*d11"
"MCREST = d4 - d11"

    dccorr
# 54 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
1 ze
# 1 "mc_line 54 file /opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best exp. def. of mc cmd. after ze"
# 55 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
# 1 "mc_line 55 file /opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best exp. start label for mc cmd."
2 MCWRK  * 5 do:f3
LBLF2, MCWRK  * 5
LBLST2, MCWRK  * 6
LBLF1, MCWRK  * 5
LBLST1, MCWRK 
  MCREST
# 56 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_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 ph6):f3
  DELTA1
  (center (p34:sp34 ph1):f2 (p6 ph1):f3)
  DELTA1
  (p5 ph4):f3
;---------------------------
  d13
  (p37:sp37 ph5):f2
  DELTA3
  (p38:sp38 ph7):f2
  DELTA3
  (p39:sp39 ph8):f2
  d40
  (center (p24:sp24 ph1):f1 (p48:sp48 ph1):f2 (p6 ph1):f3)
  d40
  (p38:sp38 ph14):f2
  d13
  (center (p48:sp48 ph1):f2 (p6 ph1):f3)
  d13
  (p37:sp37 ph9):f2
  DELTA3
  (p38:sp38 ph1):f2
  DELTA3
  (p39:sp39 ph1):f2
;---------------------------
  d13
  (p5 ph15):f3
  d51
  (center (p24:sp24 ph1):f1 (p44:sp44 ph1):f2)
  DELTA2
  (center (p34:sp34 ph1):f2 (p6 ph1):f3)
  d52
  (p5 ph4):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 121 file /opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best exp. mc cmd. in line"
  MCWRK  do:f3 wr #0 if #0 zd 

  "ph2loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval5 = (ph1loop % 4) * 90"
      MCWRK ip5 + phval5
      "phval7 = (ph1loop % 4) * 90"
      MCWRK ip7 + phval7
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval15 = (ph2loop % 4) * 90"
      MCWRK ip15 + phval15
  lo to LBLF2 times 2
  MCWRK 

  "t2loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval5 = (ph1loop % 4) * 90"
      MCWRK ip5 + phval5
      "phval7 = (ph1loop % 4) * 90"
      MCWRK ip7 + phval7
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval15 = (ph2loop % 4) * 90"
      MCWRK ip15 + phval15
  lo to LBLST2 times ST2CNT
  MCWRK 
  "t2loop=0"
  "ph2loop=0"
  MCWRK 

  "ph1loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval5 = (ph1loop % 4) * 90"
      MCWRK ip5 + phval5
      "phval7 = (ph1loop % 4) * 90"
      MCWRK ip7 + phval7
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval15 = (ph2loop % 4) * 90"
      MCWRK ip15 + phval15
  lo to LBLF1 times 2
  MCWRK 

  "t1loop+=1"
      "d40=d40orig + t1loop * in40 "
      "phval5 = (ph1loop % 4) * 90"
      MCWRK ip5 + phval5
      "phval7 = (ph1loop % 4) * 90"
      MCWRK ip7 + phval7
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "d51=d51orig + t2loop * in51 "
      "d52=d52orig - t2loop * in52 "
      "phval15 = (ph2loop % 4) * 90"
      MCWRK ip15 + phval15
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK
# 124 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
exit

ph1 = 0
ph2 = 1
ph3 = 3
ph4 = 1
# 131 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
ph5 = 0 2
ph6 = 0 0 0 0 2 2 2 2
ph7 = 0
ph8 = 1
ph9 = 3

ph10 = 0
ph11 = 2
ph12 = 1
ph13 = 3

ph14 = 0 0 0 0 2 2 2 2 1 1 1 1 3 3 3 3
ph15 = 0 0 2 2
# 145 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
ph31 = 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0


# 149 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;PARAMETER


;__________Pulses__________
# 154 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;p1 :90deg high power pulse f1 (pl1)
;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)
;p33 :sel. 90deg on res. pulse on Cab (sp33)
;p34 :sel. 180deg on res. pulse on Cab (sp34)
;p37 :sel. 90deg on res. pulse on Cab (sp37)
;p38 :sel. 180deg on res. pulse on Cab (sp38)
;p39 :sel. 90deg on res. pulse on Cab (sp39)
;p44 :sel. 180deg off res. pulse on CO (sp44)
;p48 :sel. 180deg off res. pulse on CO (sp48)
;p60 :short gradient pulse   [200 usec]
;p61 :gradient pulse   [1 msec]


;_________power level for hard pulses__________
# 173 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;pl1 :high power for protons f1
;pl3 :high power for 15N f3
;pl61 :dummy power for f1 [1000dB]
;pl62 :dummy power for 13C f2  [1000dB]


;__________parameters for shaped pulses__________
# 181 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;sp22 :power for Reburp pulse p22
;spnam22 :shape for p22   [Reburp.1000]
;spoffs22 :offset for p22 (o1 to HN)

;sp23 :power for Pc9 pulse p23
;spnam23 :shape for p23   [Pc9_4_90.1000]
;spoffs23 :offset for p23 (o1 to HN)

;sp24 :power for Bip pulse p24
;spnam24 :shape for p24   [Bip720,50,20.1]
;spoffs24 :offset for p24 [0]
# 193 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;sp33 :power for selective pulse p33
;spnam33 :shape for p33    [ps_square_128]
;spoffs33 :offset for p33  [0]

;sp34 :power for selective pulse p34
;spnam34 :shape for p34    [ps_square_128]
;spoffs34 :offset for p34  [0]

;sp37 :power for selective pulse p37
;spnam37 :shape for p37    [ps_q5_256]
;spoffs37 :offset for p37  [0]
# 205 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;sp38 :power for selective pulse p38
;spnam38 :shape for p38   [ps_q3_256]
;spoffs38 :offset for p38 [0]

;sp39 :power for selective pulse p39
;spnam39 :shape for p39    [ps_q5_tr_256]
;spoffs39 :offset for p39  [0]

;sp44 :power for selective pulse p44
;spnam44 :shape for p44  [ps_square_128]
;spoffs44 :offset for p44 (Cab to CO)
# 217 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;sp48 :power for selective pulse p48
;spnam48 :shape for p48   [ps_q3_256]
;spoffs48 :offset for p48 (Cab to CO)


;__________Gradients_________
# 224 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;gpz22 :gradient power [35%]
;gpz26 :gradient power [80%]
;gpnam22 :shape for gradient p61 [SINE.100]
;gpnam26 :shape for gradient p60 [SINE.20]


;__________decoupling__________
# 232 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;pcpd3 :90 deg 15N decoupling pulse (pl16)
;cpdprg3 :decoupling sequence in f3 [waltz16]
;pl16 :power for 15N cpd-decoupling


;_________delays__________
# 239 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;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 Cab
;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


;__________constants__________
# 254 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;cnst3 :scaling for Ca-Cb coupling (2 gives only Cb)
;max_TD1 :max. possible number of points in f1 (NH)


;__________increments__________
# 260 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;in40 :increment for Cab
;in50 :increment for N
;in51 :increment for N
;in52 :increment for N


# 268 "/opt/topspin3.0/exp/stan/nmr/lists/pp/user/MFhncacb_best"
;PROCESSING

;choose reverse=true in N-dimension

