# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d"
;hnhagp3d
;avance-version (02/08/14)
;3D sequence with
;   inverse correlation using heteronuclear zero and double quantum
;      coherence
;
;      F1(HN) -> F3(N, HMQC, t1) -> F1(Ha + HN, t2) ->  F1(HN, t3)
;
;for determination of 3J H(N)Ha (Phi) using quantitative J
;phase sensitive (t1)
;phase sensitive (t2)
;using f3 - channel
;(use parameterset HNHAGP3D)
;
;G.W. Vuister & A. Bax, J. Am. Chem. Soc. 115, 7772-7777 (1993)
;G.W. Vuister & A. Bax, J. Biomol NMR 4, 193-200 (1994)


prosol relations=<triple>


# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (03/02/17)





















































































































;$Id: Avance2.incl,v 1.7.2.3 2003/02/25 14:48:48 ber Exp $
# 22 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d" 2

# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad2.incl  -  include file for Gradient Spectroscopy
;   for 1
;
;avance-version (02/05/31)



















define list<gradient> EA=<EA>



;$Id: Grad2.incl,v 1.7 2002/06/12 09:04:22 ber Exp $
# 23 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d" 2

# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/Delay.incl" 1
;Delay.incl  -  include file for commonly used delays
;
;version 00/02/07


;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 1.11 2002/06/12 09:04:22 ber Exp $
# 24 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d" 2




"d11=30m"

"d12=20u"


"d23=13.05m"			;zeta
"d24=4.5m"			;delta


"in20=in0"

"d10=3u"

"d0=d24/2-p2/2-(p22-p21)/2"


"d20=d23-d24/2-p16-d16-p21/2-p22/2-larger(p8,p22)/2-d10-4u"





"DELTA1=d24-p16-d16"
"DELTA2=d23-d24-p21-p16-d16-4u"
"DELTA3=d23-p16-d16-4u"


"TAU=larger(p8,p22)+d10*2"





aqseq 312


# 1 "mc_line 64 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d 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 = td2 / (2)"
define loopcounter ST2CNT
"ST2CNT = td1 / (2)"
"MCWRK = 0.111111*d11"
"MCREST = d11 - d11"
# 64 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d"
1 ze
# 1 "mc_line 64 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d expanding definition of mc command after ze"
# 65 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d"
  d11 pl16:f3
# 1 "mc_line 66 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d expanding start label for mc command"
2 MCWRK  do:f3
LBLSTS2, MCWRK  * 2
LBLF2, MCWRK  * 5
LBLSTS1, MCWRK 
LBLF1, MCREST
# 67 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d"
3 d12
  d1
  50u setnmr3|0 setnmr0|34|32|33

  (p1 ph2)
  p16:gp1
  d16
  DELTA1 pl3:f3
  (p21 ph7):f3
  4u
  p16:gp2
  d16
  DELTA2
  (p2 ph3)
  (DELTA3) (d0 p22 ph1):f3
  4u
  p16:gp3
  d16
  (p1 ph4)
  d10


  (center (p8:sp13 ph1):f2 (p22 ph8):f3 )




  d10
  p2 ph1
  TAU
  (p1 ph5)
  4u
  p16:gp3
  d16
  (DELTA3 p2 ph6 DELTA2) (d20 p22 ph1):f3
  4u
  p16:gp2
  d16
  (p21 ph1):f3
  DELTA1
  p16:gp1
  d16
  (p1 ph9)

  4u
  p16:gp4
  d16 pl0:f1
  (p11:sp1 ph10:r):f1
  4u
  4u pl1:f1
  (p2 ph1)
  4u pl0:f1
  (p11:sp1 ph10:r):f1
  4u
  p16:gp4
  d16 pl1:f1 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33

  go=2 ph31 cpd3:f3

# 1 "mc_line 127 file /opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d expanding mc command in line"
  MCWRK  do:f3 wr #0 if #0 zd ip7
  lo to LBLSTS2 times 2
  MCWRK id0  MCWRK  id20
  lo to LBLF2 times ST2CNT
  MCWRK rd0  MCWRK  rd20  MCWRK  ip2  MCWRK  ip3  MCWRK  ip4
  lo to LBLSTS1 times 2
  MCWRK id10
  lo to LBLF1 times ST1CNT
# 130 "/opt/xwinnmr/exp/stan/nmr/lists/pp/hnhagp3d"
exit
   

ph1=0 
ph2=0
ph3=0 0 0 0 2 2 2 2
ph4=0 2
ph5=0 0 2 2
ph6=0 0 0 0 2 2 2 2
ph7=0
ph8=0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1
ph9=1 3
ph10=2
ph31=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 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)
;pl9 : f1 channel - power level for presaturation
;pl16: f3 channel - power level for CPD/BB decoupling
;sp1 : f1 channel - shaped pulse  90 degree
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree shaped pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;d0 : incremented delay (F1 in 3D) = d24/2-p2/2-(p22-p21)/2
;d1 : relaxation delay; 1-5 * T1
;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
;d20: decremented delay (F1 in 3D) 
;                = d20=d23-d24/2-p16-d16-p21/2-p22/2-p8/2-d10-4u
;             or = d20=d23-d24/2-p16-d16-p21/2-p22-d10-4u
;d23: 1/(4J(HNHa))                                     [13.05 msec]
;d24: 1/(2J(NH))                                       [4.5 msec]
;in0: 1/(4 * SW(N)) = (1/2) * DW(N)
;nd0: 4
;in10: 1/(2 * SW(H)) = DW(H)
;nd10: 2
;in20: = in0
;NS: 16 * n
;DS: >= 16
;td1: number of experiments in F1   td1 max = 2 * (DELTA3-d0-p22) / in0
;td2: number of experiments in F2
;FnMODE: States-TPPI (or TPPI) in F1
;FnMODE: States-TPPI (or TPPI) 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 :   45 :   75 :   20

;for z-only gradients:
;gpz1: 30%
;gpz2: 45%
;gpz3: 75%
;gpz4: 20%

;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: hnhagp3d,v 1.8.2.2 2002/08/16 10:41:17 ber Exp $