# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d"
;noesyhsqcgpwgx13d
;avance-version (09/11/18)
;NOESY-HSQC
;3D sequence with
;   homonuclear correlation via dipolar coupling
;   dipolar coupling may be due to noe or chemical exchange
;   H-1/C-13 correlation via double inept transfer
;   with C-13 (and N-15) filter in F1
;
;   H[C12,(N14)] (t1) -> C13 (t2) -> H[C13] (t3)
;
;phase sensitive (t1)
;phase sensitive (t2)
;with decoupling during acquisition
;with gradient pulses in mixing time
;water suppression using watergate sequence
;with N-15 refocussing in t1
;(use parameterset )
;
;A.L. Breeze, Prog. NMR Spectrosc. 36, 323-372 (2000)
;C. Zwahlen, P. Legault, S.J.F. Vincent, J. Greenblatt, R. Konrat &
;   L.E. Kay, J. Am. Chem. Soc. 119 6711-6721 (1997)
;K. Ogura, H. Terasawa & F. Inagaki, J. Biomol. NMR 8, 492-498 (1996)
;J. Iwahara, J.M. Wojciak & R.T. Clubb, J. Biomol. NMR 19, 231-241 (2001)
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>


# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (09/07/02)
;
;$CLASS=HighRes Incl
;$COMMENT=


















































































































































;$Id: pulseprogram,v 1.1 2021/02/11 15:51:43 bmrbsvc Exp $
# 36 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d" 2

# 1 "/opt/topspin2.1/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=



















define list<gradient> EA=<EA>



;$Id: pulseprogram,v 1.1 2021/02/11 15:51:43 bmrbsvc Exp $
# 37 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d" 2

# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version 00/02/07
;
;$CLASS=HighRes Incl
;$COMMENT=


;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


;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


;loop counters

define loopcounter COUNTER
define loopcounter SCALEF
define loopcounter FACTOR1
define loopcounter FACTOR2
define loopcounter FACTOR3



;$Id: pulseprogram,v 1.1 2021/02/11 15:51:43 bmrbsvc Exp $
# 38 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d" 2



define delay DELTA9


"p2=p1*2"
"p4=p3*2"
"p22=p21*2"
"d4=1s/(cnst2*4)"
"d11=30m"
"d26=1s/(cnst4*4)"
"d28=1s/(cnst6*4)"
"d29=1s/(cnst7*4)"


"d0=5u"
"d10=3u"

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


"DELTA1=d4-p19-d16-p11-p2/2-12u"
"DELTA2=d28-p19-d16-p15/2"
"DELTA3=d26-d28-p15/2"
"DELTA4=d26-p19-d16"
"DELTA5=d29-p19-d16-p15/2"
"DELTA6=d26-d29-p15/2"
"DELTA7=d4-p8/2"
"DELTA8=d4-p19-d16-p8/2-4u"
"DELTA9=p22+d0*2+10u"


"DELTA=larger(p2,p22)+d10*2"





"TAU=d8-p16-d16"


aqseq 321


# 1 "mc_line 84 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d expanding definition part of mc command before ze"
; dimension 3 aq-mode (F2) States-TPPI (F1) States-TPPI  F2->F1
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td1 / (2)"
define loopcounter ST2CNT
"ST2CNT = td2 / (2)"
"MCWRK = 0.125000*d11"
"MCREST = d11 - d11"
    dccorr
# 84 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d"
1 ze
# 1 "mc_line 84 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d expanding definition of mc command after ze"
# 85 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d"
  d11 pl12:f2
# 1 "mc_line 86 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d expanding start label for mc command"
2 MCWRK  do:f2
LBLSTS2, MCWRK 
LBLF2, MCWRK  * 4
LBLSTS1, MCWRK 
LBLF1, MCWRK 
  MCREST
# 87 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d"
3 d1 pl1:f1

  (p1 ph1)
  p19:gp4
  d16
  DELTA2
  (p15:sp18 ph1):f2


  DELTA3 pl3:f3
  (center (p2 ph2) (p22 ph1):f3 )





  DELTA4
  p19:gp4
  d16 pl2:f2
  (p1 ph11)

  (p3 ph12):f2


  (p21 ph12):f3



  p16:gp5
  d16

  (p1 ph1)
  p19:gp6
  d16
  DELTA5
  (p15:sp18 ph1):f2
  DELTA6


  (center (p2 ph2) (p22 ph1):f3 )




  DELTA4
  p19:gp6
  d16 pl2:f2
  (p1 ph11)

  (p3 ph12):f2


  (p21 ph12):f3



  p16:gp7
  d16

  (p1 ph7)
  DELTA9
  (p2 ph13)
  d0 gron0
  5u groff
  (p22 ph1):f3
  d0 gron0*-1
  5u groff
  (p1 ph8)
  TAU setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  p16:gp8
  d16
  (p1 ph9)
  DELTA7
  (center (p2 ph1) (p8:sp13 ph1):f2 )
  DELTA7
  (p28 ph1)
  4u
  (p1 ph2) 

  p16:gp1
  d16 pl2:f2

  (p3 ph3):f2
  d10 


  (center (p2 ph6) (p22 ph1):f3 )




  d10
  (p4 ph4):f2
  DELTA
  (p3 ph4):f2

  p16:gp2
  d16

  (p1 ph1)
  4u
  p19:gp3
  d16
  (DELTA1 pl0 p11:sp1 ph5 4u 4u pl1 p2 ph1 4u pl0 p11:sp1 ph5 4u DELTA1):f1 (DELTA8 p8:sp13 ph1):f2
  p19:gp3
  d16 pl12:f2
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd2:f2
# 1 "mc_line 195 file /opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d expanding mc command in line"
  MCWRK  do:f2 wr #0 if #0 zd ip3
  lo to LBLSTS2 times 2
  MCWRK id10
  lo to LBLF2 times ST2CNT
  MCWRK rd10  MCWRK  rp3  MCWRK  ip7  MCWRK  ip13
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
  MCWRK
# 198 "/opt/topspin2.1/exp/stan/nmr/lists/pp/noesyhsqcgpwgx13d"
exit
   

ph1=0 
ph2=1
ph3=0 2
ph4=0 0 2 2
ph5=2
ph6=0 0 2 2
ph7=0 0 0 0 2 2 2 2
ph8=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
ph9=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph10=2 2 2 2 2 2 2 2 0 0 0 0 0 0 0 0
ph11=2
ph12=0 1 2 3
ph13=1 1 1 1 3 3 3 3
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
 

;pl0 : 120dB
;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
;sp1 : f1 channel - shaped pulse  90 degree
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;spnam13: Crp60,0.5,20.1
;sp18: 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
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree shaped pulse
;p15: f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p28: f1 channel - trim pulse in inept transfer        [1 msec]
;d0 : incremented delay (F1 in 3D)                     [5 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(CH)av)
;d8 : mixing time
;d10: incremented delay (F2 in 3D)                     [3 usec]
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d26: 1/(4J(NH))
;d28: 1/(4*J(CH)min)
;d29: 1/(4*J(CH)max)
;cnst2: = J(CH)av
;cnst4: = J(NH)
;cnst6: = 1J(CH)min
;cnst7: = 1J(CH)max
;inf1: 1/SW(H) = 2 * DW(H)
;inf2: 1/SW(C) = 2 * DW(C)
;in0: 1/(2 * SW(H)) = DW(H)
;nd0: 2
;in10: 1/(2 * SW(C)) = DW(C)
;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: States-TPPI (or TPPI) in F2
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 0 : gp 1 : gp 2 : gp 3 :  gp 4 : gp 5 :
;                          2 :   40 :  -50 :   60 :     3 :   11 :
;                          gp 6 : gp 7 : gp 8
;                             2 :    7 :  -20

;for z-only gradients:
;gpz0: 2%
;gpz1: 40%
;gpz2: -50%
;gpz3: 60%
;gpz4: 3%
;gpz5: 11%
;gpz6: 2%
;gpz7: 7%
;gpz8: -20%

;use gradient files:
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SINE.100
;gpnam4: SINE.100
;gpnam5: SINE.100
;gpnam6: SINE.100
;gpnam7: SINE.100
;gpnam8: SINE.100


                                          ;preprocessor-flags-start
;1: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end


;for p15:sp18 use either "Crp60,0.5,20.1" or adiabatic pulse 
;   with matched sweep 
;for matched sweep use 
;   low to high field sweep, 
;   carrier shifted to center of spectrum (75 ppm) via spoffs18
;   d28 = d29 = 1/(4*J(CH) center of spectrum [1.696 ms])



;$Id: pulseprogram,v 1.1 2021/02/11 15:51:43 bmrbsvc Exp $