# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d"
;trhncacbgp2h3d
;avance-version (07/04/04)
;TROSY-HNCACB
;3D sequence with
;   inverse correlation for triple resonance
;      via TROSY and inept transfer steps
;
;      F1(H) -> F3(N) -> F2(Caliph.,t1) -> 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 (t2)
;using constant time in t2
;with H-2 decoupling - requires lockswitch unit or BSMS 2H-TX board
;with H-1 180degree pulses in t1
;(use parameterset TRHNCACBGP2H3D)
;
;M. Salzmann, G. Wider, K. Pervushin, H. Senn & K. Wuethrich,
;   J. Am. Chem. Soc. 121, 844-848 (1999)
;(A. Eletsky, A. Kienhoefer & K. Pervushin,
;   J. Biomol. NMR 20, 188-180 (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 (07/08/21)
;
;$CLASS=HighRes Incl
;$COMMENT=





































































































































;$Id: Avance2.incl,v 1.17.2.1 2007/09/14 16:17:35 ber Exp $
# 33 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 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 $
# 34 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 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 $
# 35 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d" 2



"p2=p1*2"
"p22=p21*2"
"d11=30m"
"d12=20u"


"d23=12m"
"d26=2.3m"
"d28=3.6m"


"d0=3u"
"d10=3u"
"d30=d23-p11-8u-p1"

"in0=inf1/4"
"in10=inf2/2"

"in30=in10"


"DELTA=d0*4+larger(p14,p22)-p14+p2*2-4u"
"DELTA1=d26-p11-p16-d16-8u"
"DELTA2=d23-d10-p14-p21*4/3.1416"
"DELTA3=d26-p16-d16"


"l0=1"


"spoff2=0"
"spoff3=0"
"spoff5=bf2*(cnst21/1000000)-o2"
"spoff8=0"


aqseq 321


# 1 "mc_line 77 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d 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 = 0.100000*d11"
"MCREST = d11 - d11"
    dccorr
# 77 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d"
1 d11 ze
# 1 "mc_line 77 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d expanding definition of mc command after ze"
# 78 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d"
  d11 setnmr4|28
  d11 h2pulse       ;setnmr4|24 or interleave_incr
  d11 pl17:f4

# 1 "mc_line 82 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d expanding start label for mc command"
2 MCWRK  * 2
LBLSTS2, MCWRK  * 2
LBLF2, MCWRK  * 4
LBLSTS1, MCWRK 
LBLF1, MCWRK
  MCREST
# 83 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d"
3 d11 h2lock         ;setnmr4^24 or interleave_incr
  9m setnmr3^0
  d1 pl1:f1
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  d12 h2pulse       ;setnmr4|24 or interleave_incr

  p1 ph1
  4u pl0:f1
  (p11:sp1 ph3:r):f1
  4u
  p16:gp1
  d16 pl1:f1
  DELTA1
  (center (p2 ph2) (p22 ph1):f3 )
  DELTA1
  p16:gp1
  d16 pl0:f1
  (p11:sp1 ph4:r):f1
  4u
  4u pl1:f1
  (p1 ph4):f1 

  (p21 ph5):f3
  d23
  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )
  d23
  (p21 ph2):f3

  20u cpd4:f4

  (p13:sp2 ph6):f2
  d28
  (p14:sp3 ph1):f2
  d28
  (p13:sp8 ph2):f2

  d0
  (p2 ph1):f1
  d0
  (center (p14:sp5 ph1):f2 (p22 ph1):f3 )
  d0
  (p2 ph1):f1
  d0
  (p14:sp3 ph1):f2
  DELTA
  (p14:sp5 ph1):f2
  4u

  (p13:sp2 ph10):f2
  d28
  (p14:sp3 ph1):f2
  d28
  (p13:sp8 ph11):f2

  4u do:f4

  if "l0 %2 == 1"
     {
     (p21 ph7):f3
     }
  else
     {
     (p21 ph8):f3
     }

  d10
  (p14:sp5 ph1):f2
  DELTA2
  (center (p14:sp3 ph1):f2 (p22 ph1):f3 )
  d30 pl0:f1
  (p11:sp1 ph1:r):f1
  4u
  4u pl1:f1

  (p1 ph9)
  p16:gp2
  d16
  DELTA3
  (center (p2 ph1) (p22 ph1):f3 )
  DELTA3
  p16:gp2
  d16
  (center (p1 ph1) (p21 ph9):f3 )
  p16:gp3
  d16
  DELTA1 pl0:f1
  (p11:sp1 ph3:r):f1
  4u
  4u pl1:f1
  (center (p2 ph1) (p22 ph1):f3 )
  4u pl0:f1
  (p11:sp1 ph3:r):f1
  DELTA1
  p16:gp3
  d16 pl1:f1
  4u setnmr0^34^32^33 ctrlgrad 7
  (p21 ph1):f3
  go=2 ph31
# 1 "mc_line 181 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d expanding mc command in line"
  MCWRK  wr #0 if #0 zd ip9*2  MCWRK  iu0
  lo to LBLSTS2 times 2
  MCWRK id10  MCWRK  dd30
  lo to LBLF2 times ST2CNT
  MCWRK rd10  MCWRK  rd30  MCWRK  dp10  MCWRK  dp11
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
  MCWRK
# 184 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacbgp2h3d"

  d11 h2lock         ;setnmr4^24 or interleave_incr
  d11 setnmr3^0
  d11 setnmr4^28

exit


ph1=0
ph2=1 
ph3=2
ph4=3
ph5=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph6=0
ph7=1 3 0 2
ph8=1 3 2 0
ph9=3
ph10=3 3 3 3 1 1 1 1
ph11=0 0 0 0 2 2 2 2
ph31=1 3 2 0 3 1 0 2 3 1 0 2 1 3 2 0


;pl0 : 120dB
;pl1 : f1 channel - power level for pulse (default)
;pl3 : f3 channel - power level for pulse (default)
;pl17: f4 channel - power level for CPD/BB decoupling
;sp1: f1 channel - shaped pulse  90 degree  (H2O on resonance)
;sp2: f2 channel - shaped pulse  90 degree  (Cali on resonance)
;sp3: f2 channel - shaped pulse 180 degree  (Cali on resonance)
;sp5: f2 channel - shaped pulse 180 degree  (C=O off resonance)
;sp8: f2 channel - shaped pulse  90 degree  (Cali on resonance)
;                  for time reversed pulse
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p11: f1 channel -  90 degree shaped pulse             [1 msec]
;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
;d0 : incremented delay (F1 in 3D)                     [3 usec]
;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
;d23: 1/(4J(NCa)                                       [12 msec]
;d26: 1/(4J'(NH)                                       [2.3 msec]
;d28: 1/(4J(CaCb)                                      [3.6 msec]
;d30: decremented delay (F2 in 3D) = d23-p11-8u-p1
;cnst21: CO chemical shift (offset, in ppm)
;cnst23: Caliphatic chemical shift (offset, in ppm)
;o2p: Caliphatic chemical shift (cnst23)
;inf1: 1/SW(Cali) = 2 * DW(Cali)
;inf2: 1/SW(N) = 2 * DW(N)
;in0: 1/(4 * SW(Cali)) =  (1/2) DW(Cali)
;nd0: 4
;in10: 1/(2 * SW(N)) = DW(N)
;nd10: 2
;in30: = in10
;NS: 8 * 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
;cpd4: decoupling according to sequence defined by cpdprg4
;pcpd4: f4 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 1 : gp 2 : gp 3
;                         30 :   18 :   44

;for z-only gradients:
;gpz1: 30%
;gpz2: 18%
;gpz3: 44%

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



;$Id: trhncacbgp2h3d,v 1.16 2007/04/11 13:34:31 ber Exp $