# 1 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d"
;noesyhsqcf3gpsi3d
;avance-version (07/04/04)
;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 f3 - channel
;(use parameterset NOESYHSQCF3GPSI3D)
;
;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 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance3.incl
;   for AV III
;
;avance-version (07/12/14)
;
;$CLASS=HighRes Incl
;$COMMENT=





























































































































































;$Id: Avance3.incl,v 1.6.2.2 2007/12/14 16:06:46 ber Exp $
# 31 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d" 2

# 1 "/opt/topspin2.1.4/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: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $
# 32 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d" 2

# 1 "/opt/topspin2.1.4/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: Delay.incl,v 1.12 2005/11/10 12:16:58 ber Exp $
# 33 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d" 2



"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d12=20u"
"d13=4u"
"d26=1s/(cnst4*4)"


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

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


"DELTA1=d13+p16+d16+4u"


"DELTA=p16+d16+larger(p2,p14)+d10*2"
"DELTA2=larger(p14,p22)+d0*2"





"TAU=d8-p16-d16"


aqseq 321


# 1 "mc_line 67 file /opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d expanding definition part of mc command before ze"
; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI  F2->F1
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td1 / (2)"
define loopcounter ST2CNT
"ST2CNT = td2 / (2)"
"MCWRK = 0.071429*d11"
"MCREST = d11 - d11"
    dccorr
# 67 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d"
1 ze
# 1 "mc_line 67 file /opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d expanding definition of mc command after ze"
# 68 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d"
  d11 pl16:f3
# 1 "mc_line 69 file /opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d expanding start label for mc command"
2 MCWRK  * 2 do:f3
LBLSTS2, MCWRK  * 4
LBLF2, MCWRK  * 6
LBLSTS1, MCWRK 
LBLF1, MCWRK 
  MCREST
# 70 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d"
3 d12
  d1 
  (p1 ph8)
  DELTA2 pl3:f3
  (p2 ph9)
  d0


  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )




  d0
  (p1 ph10)
  TAU setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  p16:gp1
  d16
  (p1 ph11)
  d26
  (center (p2 ph1) (p22 ph6):f3 )
  d26
  p28 ph1
  d13
  (p1 ph2) 
  3u
  p16:gp2
  d16
  (p21 ph3):f3
  d10 


  (center (p2 ph7) (p14:sp3 ph1):f2 )




  d10
  p16:gp3*EA
  d16
  (p22 ph4):f3
  DELTA
  (center (p1 ph1) (p21 ph4):f3 )
  d24
  (center (p2 ph1) (p22 ph1):f3 )
  d24
  (center (p1 ph2) (p21 ph5):f3 )
  d26
  (center (p2 ph1) (p22 ph1):f3 )
  d26
  (p1 ph1)
  DELTA1
  (p2 ph1)
  d13
  p16:gp4
  d16 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  go=2 ph31 cpd3:f3
# 1 "mc_line 128 file /opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d expanding mc command in line"
  MCWRK  do:f3 wr #0 if #0 zd igrad EA  MCWRK  ip5*2
  lo to LBLSTS2 times 2
  MCWRK id10  MCWRK  ip3*2  MCWRK  ip6*2  MCWRK  ip31*2
  lo to LBLF2 times ST2CNT
  MCWRK rd10  MCWRK  rp3  MCWRK  rp6  MCWRK  rp31  MCWRK  ip8  MCWRK  ip9
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
  MCWRK
# 131 "/opt/topspin2.1.4/exp/stan/nmr/lists/pp/noesyhsqcf3gpsi3d"
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


;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl16: f3 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
;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
;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]
;d13: short delay                                      [4 usec]
;d16: delay for homospoil/gradient recovery
;d24: 1/(4J)YH for YH
;     1/(8J)YH for all multiplicities
;d26: 1/(4J(YH))
;cnst4: = J(YH)
;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
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 1 : gp 2 : gp 3 : gp 4
;                         30 :   50 :   80 :  8.1      for N-15
;                         30 :   50 :   80 : 20.1      for C-13

;for z-only gradients:
;gpz1: 30%
;gpz2: 50%
;gpz3: 80%
;gpz4: 8.1% for N-15, 20.1% for C-13

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



;$Id: noesyhsqcf3gpsi3d,v 1.4 2007/04/11 13:34:31 ber Exp $