# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2"
;hsqcnoesyhsqcncgp4d
;avance-version (07/08/28)
;(N15)HSQC-NOESY-(C13)HSQC
;4D 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 (t2)
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t3)
;with decoupling during acquisition
;using shaped pulses for inversion on f2 - channel
;(use parameterset )
;
;(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=4D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


prosol relations=<triple>


# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=





































































































































;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $
# 34 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 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: Grad2.incl,v 1.12 2007/01/22 14:22:35 ber Exp $
# 35 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 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: Delay.incl,v 1.12 2005/11/10 12:16:58 ber Exp $
# 36 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2" 2



"p2=p1*2"
"p4=p3*2"
"p22=p21*2"
"d4=1s/(cnst2*4)"
"d11=30m"
"d12=20u"
"d26=1s/(cnst4*4)"


"d21=3u"
"d22=3u"
"d23=3u"

"in21=inf1/2"
"in22=inf2/2"
"in23=inf3/2"


"DELTA=d4-larger(p2,p8)/2-4u"
"DELTA1=d21*2+larger(p2,p8)"
"DELTA2=d22*2+larger(p8,p22)"
"DELTA3=d23*2+p16+d16+larger(p2,p22)"
"DELTA4=p16+d16+8u+de-p1*2/3.1416"
"DELTA5=d24-p19-d16-4u"
"DELTA6=d4-p19-d16-larger(p2,p8)/2-4u"


"TAU=d8-p16-d16"


"spoff13=bf2*(cnst26/1000000)-o2"


# 1 "mc_line 72 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding definition part of mc command before ze"
; dimension 4 aq-mode (F3) Echo-Antiecho (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)"
define loopcounter ST3CNT
"ST3CNT = td3 / (2)"
"MCWRK = 0.071429*d11"
"MCREST = d11 - d11"
    dccorr
# 72 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2"
1 ze
# 1 "mc_line 72 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding definition of mc command after ze"
# 73 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2"
  d11 pl12:f2
# 1 "mc_line 74 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding start label for mc command"
2 MCWRK  * 2 do:f2
LBLSTS3, MCWRK  * 3
LBLF3, MCWRK  * 7
LBLSTS1, MCWRK 
LBLF1, MCWRK 
  MCREST
# 75 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2"
3 d12 pl9:f1

  d1 cw:f1 ph29
  4u do:f1
  d12 pl1:f1 pl3:f3
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0

  (p1 ph1)
  d26
  (center (p2 ph2) (p22 ph1):f3 )
  d26 setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  (p1 ph2) 

  p16:gp3
  d16

  (p21 ph3):f3
  d21 
  (center (p2 ph9) (p8:sp13 ph1):f2 )
  d21
  (p22 ph1):f3
  DELTA1
  (p21 ph1):f3

  (p1 ph4)
  d26
  DELTA2
  (center (p2 ph5) (p22 ph1):f3 )
  d26

  d22
  (center (p8:sp13 ph1):f2 (p22 ph1):f3 )
  d22
  (p1 ph2)

  TAU
  p16:gp4
  d16

  (p1 ph1)
  DELTA
  4u
  (center (p2 ph1) (p8:sp13 ph1):f2 )
  4u
  DELTA pl2:f2
  (p1 ph2) 

  4u
  p16:gp5
  d16

  (p3 ph6):f2
  d23 
  (center (p2 ph9) (p22 ph1):f3 )
  d23
  p16:gp1*EA
  d16
  (p4 ph7):f2
  DELTA3
  (center (p1 ph1) (p3 ph7):f2 )
  4u
  p19:gp6
  d16
  DELTA5
  (center (p2 ph1) (p4 ph1):f2 )
  DELTA5
  4u
  p19:gp6
  d16
  (center (p1 ph2) (p3 ph8):f2 )
  4u
  p19:gp7
  d16
  DELTA6
  (center (p2 ph1) (p8:sp13 ph1):f2 )
  4u
  DELTA6
  p19:gp7
  d16
  (p1 ph1)
  DELTA4
  (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 162 file /opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2 expanding mc command in line"
  MCWRK  do:f2 wr #0 if #0 zd igrad EA  MCWRK  ip8*2
  lo to LBLSTS3 times 2
  MCWRK id23  MCWRK  ip6*2  MCWRK  ip31*2
  lo to LBLF3 times ST3CNT
  MCWRK rd23  MCWRK  rd22  MCWRK  rp4  MCWRK  rp5  MCWRK  ip3  MCWRK  rp6  MCWRK  rp31
  lo to LBLSTS1 times 2
  MCWRK id21
  lo to LBLF1 times ST1CNT
  MCWRK
# 167 "/opt/topspin2.1/exp/stan/nmr/lists/pp/user/hsqcnoesyhsqcncgp4d.av2"
exit
   

ph1=0 
ph2=1
ph3=0 2
ph4=0 0 0 0 2 2 2 2
ph5=1 1 1 1 3 3 3 3
ph6=0 0 2 2
ph7=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph8=1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3
ph9=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
ph29=0
ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0


;pl1 : f1 channel - power level for pulse (default)
;pl2 : f2 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl9 : f1 channel - power level for presaturation
;pl12: f2 channel - power level for CPD/BB decoupling
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3: f3 channel -  90 degree high power pulse
;p4: f3 channel - 180 degree high power pulse
;p8 : 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
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(CH))
;d8 : mixing time
;d11: delay for disk I/O                               [30 msec]
;d12: delay for power switching                        [20 usec]
;d16: delay for homospoil/gradient recovery
;d24: 1/(4J)CH for CH
;     1/(8J)CH for all multiplicities
;d26: 1/(4J(NH))
;d21: incremented delay (F1 in 4D)                     [3 usec]
;d22: incremented delay (F2 in 4D)                     [3 usec]
;d23: incremented delay (F3 in 4D)                     [3 usec]
;cnst2: = J(CH)
;cnst4: = J(NH)
;cnst26: Call chemical shift (offset, in ppm)          [101 ppm]
;inf1: 1/SW(N) = 2 * DW(N)
;inf2: 1/SW(H) = 2 * DW(H)
;inf3: 1/SW(C) = 2 * DW(C)
;NS: 8 * n
;DS: >= 16
;td1: number of experiments in F1
;td2: number of experiments in F2
;td3: number of experiments in F3
;FnMODE: States-TPPI (or TPPI) in F1
;FnMODE: States-TPPI (or TPPI) in F2
;FnMODE: echo-antiecho in F3
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f3 channel - 90 degree pulse for decoupling sequence


;use gradient ratio: gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : gp 6 : gp 7
;                      80 : 20.1 :  -40 :  -10 :   40 :    5 :   -2

;for z-only gradients:
;gpz1: 80%
;gpz2: 20.1%
;gpz3: -40%
;gpz4: -10%
;gpz5: 40%
;gpz6: 5%
;gpz7: -2%

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



;set pl9 to 120dB when presaturation is not required
;   use 75 - 80dB to reduce radiation damping



;$Id: hsqcnoesyhsqcncgp4d,v 1.1.2.1 2007/09/14 16:17:35 ber Exp $