# 1 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp"
# 1 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp"
;hccconhgp3d2
;avance-version (00/10/05)
;HCCCONH
;3D sequence with
;   inverse correlation for triple resonance using 
;      dipsi2 and inept transfer steps 
;
;      F1(H,t1) -> F2(Caliph. -> Ca) -> F2(C=O) -> F3(N,t2) -> F1(H,t3)
;
;on/off resonance Ca and C=O pulses using shaped pulse
;phase sensitive (t1)
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t2)
;using semi-constant time in t1
;using constant time in t2
;(use parameterset HCCCONHGP3D2)
;
;G.T. Montelione, B.A. Lyons, S.D. Emerson & M. Tashiro, 
;   J. Am. Chem. Soc. 114, 10974-75 (1992)
;S. Grzesiek, J. Anglister & A. Bax, J. Magn. Reson. 101 B, 114-9 (1993)
;B.A. Lyons & G.T. Montelione, J. Magn. Reson. 101 B, 206-9 (1993)
;T.M. Logan, E.T. Olejniczak, R.X. Xu & S.W. Fesik, 
;   J. Biomol. NMR 3, 225-31 (1993)
;R.T. Clowes, W. Boucher, C.H. Hardman, P.J. Domaille & E.D. Laue,
;   J. Biomol. NMR 3, 349-354 (1993)
;T. Carlomagno, M. Maurer, M. Sattler, M.G. Schwendinger, S.J. Glaser
;   & C. Griesinger, J. Biomol. NMR 8, 161-170 (1996)


prosol relations=<triple>


# 1 "/u/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance.incl
;
;version  00/07/27


;switch between high and low stage oh H amplifier



;use 2H channel for lock or pulse (lockswitch)



;allow for 2H decoupling (lockswitch)



;turn lock-hold on/off (BSMS)



;switch between 1H or 19F output (H amplifier)



;select output for 19F (amplifier)



;homospoil on/off (BSMS)



;for Q-switch probes



;for mixing probe



;gating pulse for RX22, ADC and HPPR




;not active




;$Id: Avance1.incl,v 1.5 2000/08/16 13:26:55 ber Exp $
# 32 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 2

# 1 "/u/exp/stan/nmr/lists/pp/Grad.incl" 1
;Grad.incl  -  include file for Gradient Spectroscopy
;
;avance-version (00/07/27)


;gradient pulse for gs-syntax



;blank/unblank gradient amplifier and turn lock-hold on/off



;blank/unblank gradient amplifier



;for RCB board (BSMS)




define list<gradient> EA=<EA>



;$Id: Grad1.incl,v 1.6 2000/10/16 11:47:19 ber Exp $
# 33 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 2

# 1 "/u/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 1.10 2000/05/08 11:39:02 eng Exp $
# 34 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp" 2




"d10=3u"

"d11=30m"

"d12=20u"

"d13=4u"

"d3=1.1m"
"d4=1.7m"
"d21=3.6m"
"d22=4.4m"
"d23=12.4m"
"d25=5.5m"
"d26=2.3m"


"d0=d4"
"d20=3u"
"d29=d4+p14+d20"
"d30=d23-d25-d13-p26"

"FACTOR1=d29*10000000*2/td1"
"in29=FACTOR1/10000000"

"in20=in0-in29"
"in30=in10"


"DELTA1=d21+d13-d12*2"
"DELTA2=d23+4u-d22"
"DELTA3=d23-d10-p14"
"DELTA4=d25-p16-d16"
"DELTA5=p16+d16+7u"

"CEN_HN1=(p21-p1)/2"
"CEN_HN2=(p22-p2)/2"
"CEN_HC2=(p14-p2)/2"
"CEN_CN2=(p14-p22)/2"


aqseq 321


# 1 "mc_line 82 file /u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp expanding definition part of mc command before ze"
; dimension 3 aq-mode (F2) Echo-Antiecho (F1) States-TPPI  
define delay MCWRK
define delay MCREST
define loopcounter ST1CNT
"ST1CNT = td1 / ( 2 ) "
define loopcounter ST2CNT
"ST2CNT = td2 / ( 2 ) "
"MCWRK  = 0.076923 *  d11"
"MCREST =  d11 -  d11"
# 82 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp"
1 ze
  d11 pl16:f3
# 1 "mc_line 84 file /u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp expanding start label for mc command"
2       MCWRK*2  do:f3
LBLSTS2,       MCWRK*5
LBLF2,       MCWRK*3
LBLSTS1,       MCWRK*3
LBLF1,       MCREST
# 85 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp"
3 d11 fq2:f2
  d1
  50u setnmr2|0 setnmr0|34|32|33
  d12 pl1:f1 pl0:f2 pl3:f3

  (p1 ph3):f1
  d0
  (p14:sp3 ph1):f2
  d20
  (p2 ph1):f1
  d29
  (p1 ph2):f1

  4u
  p16:gp1
  d16

  (p13:sp2 ph4):f2
  d3
  4u
  (CEN_HC2 p2 ph1):f1 (p14:sp3 ph1):f2
  4u
  d3 pl15:f2

						;begin DIPSI2
7 (p9*3.556 ph23):f2
  (p9*4.556 ph25):f2
  (p9*3.222 ph23):f2
  (p9*3.167 ph25):f2
  (p9*0.333 ph23):f2
  (p9*2.722 ph25):f2
  (p9*4.167 ph23):f2
  (p9*2.944 ph25):f2
  (p9*4.111 ph23):f2
  
  (p9*3.556 ph25):f2
  (p9*4.556 ph23):f2
  (p9*3.222 ph25):f2
  (p9*3.167 ph23):f2
  (p9*0.333 ph25):f2
  (p9*2.722 ph23):f2
  (p9*4.167 ph25):f2
  (p9*2.944 ph23):f2
  (p9*4.111 ph25):f2

  (p9*3.556 ph25):f2
  (p9*4.556 ph23):f2
  (p9*3.222 ph25):f2
  (p9*3.167 ph23):f2
  (p9*0.333 ph25):f2
  (p9*2.722 ph23):f2
  (p9*4.167 ph25):f2
  (p9*2.944 ph23):f2
  (p9*4.111 ph25):f2

  (p9*3.556 ph23):f2
  (p9*4.556 ph25):f2
  (p9*3.222 ph23):f2
  (p9*3.167 ph25):f2
  (p9*0.333 ph23):f2
  (p9*2.722 ph25):f2
  (p9*4.167 ph23):f2
  (p9*2.944 ph25):f2
  (p9*4.111 ph23):f2
  lo to 7 times l1
						;end DIPSI2

  d12 pl19:f1 pl0:f2
  d12 cpds1:f1 ph2
  (p14:sp5 ph1):f2
  DELTA1 
  (p24:sp9 ph1):f2
  d13
  (p14:sp5 ph1):f2
  d21
  (p13:sp8 ph1):f2

  4u
  d12 fq2:f2

  (p13:sp2 ph5):f2
  d22
  (p14:sp7 ph1):f2
  DELTA2 pl3:f3
  (p14:sp3 ph1):f2 (CEN_CN2 p22 ph8):f3
  d23
  (p14:sp7 ph1):f2
  4u
  (p13:sp8 ph1):f2

  4u
  4u do:f1
  (p26 ph10):f1
  4u
  p16:gp2
  d16
  (p26 ph2):f1
  4u cpds1:f1 ph1

  (p21 ph6):f3
  d10
  (p14:sp7 ph1):f2
  DELTA3
  (p14:sp3 ph1):f2 (CEN_CN2 p22 ph1):f3
  d30
  d13 do:f1
  (p26 ph9):f1
  DELTA4
  p16:gp3*EA
  d16 pl1:f1

  (CEN_HN1 p1 ph1):f1 (p21 ph1):f3
  d26
  (CEN_HN2 p2 ph1):f1 (p22 ph1):f3
  d26
  (CEN_HN1 p1 ph2):f1 (p21 ph7):f3
  d26
  (CEN_HN2 p2 ph1):f1 (p22 ph1):f3
  d26
  (p1 ph1):f1
  DELTA5
  (p2 ph1):f1
  3u
  p16:gp4
  d16 pl16:f3
  4u setnmr2^0 setnmr0^34^32^33
  go=2 ph31 cpd3:f3
# 1 "mc_line 212 file /u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp expanding mc command in line "
  MCWRK  do:f3 wr #0 if #0 zd   igrad EA  MCWRK  ip7*2 
  lo to LBLSTS2 times 2
  MCWRK  id10  MCWRK  dd30  MCWRK  ip6*2  MCWRK  ip8*2  MCWRK  ip31*2 
  lo to LBLF2 times ST2CNT
  MCWRK  rd10  MCWRK  rd30  MCWRK  ip3 
  lo to LBLSTS1 times 2
  MCWRK  id0  MCWRK  id20  MCWRK  dd29 
  lo to LBLF1 times ST1CNT
# 213 "/u/exp/stan/nmr/lists/pp/hccconhgp3d2.fp"
exit


ph1=0
ph2=1
ph3=0 0 0 0 2 2 2 2
ph4=0 0 2 2
ph5=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph6=0 2
ph7=3
ph8=0
ph9=3
ph10=2
ph23=0
ph25=2
ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0


;pl0 : 120dB
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl15: f2 channel - power level for TOCSY-spinlock
;pl16: f3 channel - power level for CPD/BB decoupling
;pl19: f1 channel - power level for CPD/BB decoupling
;sp2: f2 channel - shaped pulse  90 degree  (C=O on resonance)
;sp3: f2 channel - shaped pulse 180 degree  (C=O on resonance)
;sp5: f2 channel - shaped pulse 180 degree  (C=O off resonance)
;sp7: f2 channel - shaped pulse 180 degree  (Ca off resonance)
;sp8: f2 channel - shaped pulse  90 degree  (on resonance)
;                  for time reversed pulse
;sp9: f2 channel - shaped pulse 180 degree  (Ca on resonance)
;     sp9 might require higher selectivity than sp3
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p9 : f2 channel -  90 degree low power pulse
;p13: f2 channel -  90 degree shaped pulse
;p14: f2 channel - 180 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
;p24: f2 channel - 180 degree shaped pulse (sp9)
;p26: f1 channel -  90 degree pulse at pl19
;d0 : incremented delay (F1 in 3D) = d4
;d1 : relaxation delay; 1-5 * T1
;d3 : 1/(6J(CH)                                        [1.1 msec]
;d4:  1/(4J(CH)                                        [1.7 msec]
;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
;d20: incremented delay (F1 in 3D)                     [3 usec]
;d21: 1/(2J(CaCO))                                     [3.6 msec]
;d22: 1/(2J'(CaCO)                                     [4.4 msec]
;d23: constant time delay T(N) = 1/(4J'(NCO)           [12.4 msec]
;d25: 1/(2J'(NH))                                      [5.5 msec]
;d26: 1/(4J(NH))                                       [2.3 msec]
;d29: decremented delay (F1 in 3D) = d4+p14+d20
;d30: decremented delay (F2 in 3D) = d23-d25-d13-p26
;l1: loop for DIPSI2 cycle: ((p6*115.112) * l1) = mixing time  [3]
;in0: 1/(2 * SW(H)) =  DW(H)
;nd0: 2
;in10: 1/(2 * SW(N)) = DW(N)
;nd10: 2
;in20: = in0 - in29
;in29: = d29 * 2 / td1
;in30: = in10
;NS: 16 * n
;DS: >= 16
;td1: number of experiments in F1
;td2: number of experiments in F2       td2 max = 2 * d30 / in30
;FnMODE: States-TPPI (or TPPI) in F1
;FnMODE: echo-antiecho in F2
;cpds1: decoupling according to sequence defined by cpdprg1
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd1: f1 channel - 90 degree pulse for decoupling sequence
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence


;define FQ1LIST (list has to be stored in "/u/exp/stan/nmr/lists/f1")
;     set on Haliph. for first part and for second either on H2O
;     (better water suppression) or NH (better sensitivity)

;define FQ2LIST (list has to be stored in "/u/exp/stan/nmr/lists/f1")
;     set on Caliph. for DIPSI transfer but on C=O during transfer
;     to C=O


;use gradient ratio:    gp 1 : gp 2 : gp 3 : gp 4
;                         50 :  -30 :   80 :  8.1

;for z-only gradients:
;gpz1: 50%
;gpz2: -30%
;gpz3: 80%
;gpz4: 8.1%

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



;$Id: hccconhgp3d2,v 1.9 2000/10/06 09:09:08 ber Exp $
