# 1 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
;noesyhsqcetgpsi3d
;avance-version (10/02/12)
;NOESY-HSQC
;3D sequence with
;   homonuclear correlation via dipolar coupling
;   dipolar coupling may be due to noe or chemical exchange.
;   H-1/X correlation via double inept transfer
;      using sensitivity improvement
;phase sensitive (t1)
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2)
;with decoupling during acquisition
;using trim pulses in inept transfer
;using shaped pulses for inversion on f2 - channel
;(use parameterset NOESYHSQCETGPSI3D)
;
;A.G. Palmer III, J. Cavanagh, P.E. Wright & M. Rance, J. Magn.
;   Reson. 93, 151-170 (1991)
;L.E. Kay, P. Keifer & T. Saarinen, J. Am. Chem. Soc. 114,
;   10663-5 (1992)
;J. Schleucher, M. Schwendinger, M. Sattler, P. Schmidt, O. Schedletzky,
;   S.J. Glaser, O.W. Sorensen & C. Griesinger, J. Biomol. NMR 4,
;   301-306 (1994)
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


# 1 "C:/Bruker/TopSpin3.0/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/TopSpin3.0/exp/stan/nmr/lists/pp/Avance.incl"
;$Id: pulseprogram,v 1.1 2021/02/10 23:26:41 bmrbsvc Exp $
# 31 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d" 2

# 1 "C:/Bruker/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 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/Grad.incl"
define list<gradient> EA=<EA>


# 31 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/Grad.incl"
;$Id: pulseprogram,v 1.1 2021/02/10 23:26:41 bmrbsvc Exp $
# 32 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d" 2

# 1 "C:/Bruker/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 "C:/Bruker/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 "C:/Bruker/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 "C:/Bruker/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 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/Delay.incl"
;$Id: pulseprogram,v 1.1 2021/02/10 23:26:41 bmrbsvc Exp $
# 33 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d" 2


# 36 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
"p2=p1*2"
"p4=p3*2"
"p22=p21*2"
"d4=1s/(cnst2*4)"
"d11=30m"
"d12=20u"


"d0=3u"
"d10=3u"
# 47 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
"in0=inf1/2"
"in10=inf2/2"


"DELTA1=p16+d16+8u"
"DELTA3=d4-larger(p2,p14)/2"
# 55 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
"DELTA=p16+d16+larger(p2,p22)+d10*2"
"DELTA2=larger(p14,p22)+d0*2"


# 62 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
"TAU=d8-p16-d16"


aqseq 321
# 1 "mc_line 68 file C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d 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 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 = 0.029412*d11"
"MCREST = d11 - d11"

    dccorr
# 68 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
# 68 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
1 ze
# 1 "mc_line 68 file C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d exp. def. of mc cmd. after ze"
# 69 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
  d11 pl12:f2
# 1 "mc_line 70 file C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d exp. start label for mc cmd."
2 MCWRK  * 8 do:f2
LBLF2, MCWRK  * 8
LBLST2, MCWRK  * 9
LBLF1, MCWRK  * 8
LBLST1, MCWRK 
  MCREST
# 71 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
3 d12 pl0:f2
  d1 
  (p1 ph8)
  DELTA2
  (p2 ph9)
  d0


  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )
# 84 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
  d0
  (p1 ph10)

  TAU setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  p16:gp3
  d16

  (p1 ph11)
  DELTA3 pl0:f2
  4u
  (center (p2 ph1) (p14:sp3 ph6):f2 )
  4u
  DELTA3 pl2:f2
  p28 ph1
  4u
  (p1 ph2) 
# 101 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
  4u
  p16:gp4
  d16

  (p3 ph3):f2
  d10 

# 109 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
  (center (p2 ph7) (p22 ph1):f3 )


# 114 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
  d10
  p16:gp1*EA
  d16
  (p4 ph4):f2
  DELTA
  (center (p1 ph1) (p3 ph4):f2 )
  d24
  (center (p2 ph1) (p4 ph1):f2 )
  d24
  (center (p1 ph2) (p3 ph5):f2 )
  DELTA3 pl0:f2
  4u
  (center (p2 ph1) (p14:sp3 ph1):f2 )
  4u
  DELTA3
  (p1 ph1)
  DELTA1
  (p2 ph1)
  4u
  p16:gp2
  d16 pl12:f2
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd2:f2
# 1 "mc_line 137 file C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d exp. mc cmd. in line"
  MCWRK  do:f2 wr #0 if #0 zd 

  "ph2loop+=1"
      "d0=d0orig + t1loop * in0 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "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 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "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 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "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 "
      "phval8 = (ph1loop % 4) * 90"
      MCWRK ip8 + phval8
      "phval9 = (ph1loop % 4) * 90"
      MCWRK ip9 + phval9
      "d10=d10orig + t2loop * in10 "
      "phval5 = (ph2loop % 2) * 180"
      MCWRK ip5 + phval5
      "phval3 = (t2loop * 180)%360"
      MCWRK ip3 + phval3
      "phval6 = (t2loop * 180)%360"
      MCWRK ip6 + phval6
      "phval31 = (t2loop * 180)%360"
      MCWRK ip31 + phval31
      "phval0 = ph2loop * 1"
      MCWRK setgrad EA
  lo to LBLST1 times ST1CNT
  MCWRK 
  "t1loop=0"
  "ph1loop=0"
  MCWRK
# 140 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
exit
   

ph1=0 
ph2=1
ph3=0 2
ph4=0 0 2 2
ph5=1 1 3 3
ph6=0
ph7=0 0 2 2
ph8=0 0 0 0 2 2 2 2
ph9=1 1 1 1 3 3 3 3
ph10=0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
     2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
ph11=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0
     2 0 0 2 0 2 2 0 0 2 2 0 2 0 0 2

# 159 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
;pl0 : 0W
;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl12: f2 channel - power level for CPD/BB decoupling
;sp3: f2 channel - shaped pulse 180 degree (adiabatic)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p4 : f2 channel - 180 degree high power pulse
;p14: f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse                         [1 msec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p28: f1 channel - trim pulse                          [1 msec]
;d0 : incremented delay (F1 in 3D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(XH))
;d8 : mixing time
;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
;d24: 1/(4J)XH for XH
;     1/(8J)XH for all multiplicities
;cnst2: = J(XH)
;inf1: 1/SW(H) = 2 * DW(H)
;inf2: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(H)) = DW(H)
;nd0: 2
;in10: 1/(2 * SW(X)) = DW(X)
;nd10: 2
;NS: 8 * n
;DS: >= 16
;td1: number of experiments in F1
;td2: number of experiments in F2
;FnMODE: States-TPPI (or TPPI) in F1
;FnMODE: echo-antiecho in F2
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 1 : gp 2 : gp 3 : gp 4
;                         80 : 20.1 :   30 :   50     for C-13
# 204 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
;for z-only gradients:
;gpz1: 80%
;gpz2: 20.1% for C-13
;gpz3: 30%
;gpz4: 50%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.100

# 217 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
                                          ;preprocessor-flags-start
;1: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end


# 224 "C:/Bruker/TopSpin3.0/exp/stan/nmr/lists/pp/noesyhsqcetgpsi3d"
;$Id: pulseprogram,v 1.1 2021/02/10 23:26:41 bmrbsvc Exp $