# 1 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d"
;trhncacogp3d
;avance-version (07/04/04)
;TROSY-HNCACO
;3D sequence with
;   inverse correlation for triple resonance
;      via TROSY and inept transfer steps
;
;      F1(H) -> F3(N) -> F2(Ca) -> F2(C=O,t1)
;            -> F2(Ca) -> 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
;(use parameterset TRHNCACOGP3D)
;
;M. Salzmann, G. Wider, K. Pervushin, H. Senn & K. Wuethrich,
;   J. Am. Chem. Soc. 121, 844-848 (1999)
;
;$CLASS=HighRes
;$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 $
# 30 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d" 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 $
# 31 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d" 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 $
# 32 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d" 2



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

"d22=4m"
"d23=12m"
"d26=2.3m"


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

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

"in30=in10"


"DELTA=d0*2+larger(p14,p22)-p14"
"DELTA1=d26-p11-p16-d16-8u"
"DELTA2=d22-p14-4u"
"DELTA3=d23-d10-p14-p21*4/3.1416"
"DELTA4=d26-p16-d16"


"l0=1"


"spoff2=0"
"spoff3=0"
"spoff5=bf2*((cnst21-cnst22)/1000000)"
"spoff7=bf2*((cnst22-cnst21)/1000000)"
"spoff8=0"
"spoff9=0"


aqseq 321


# 1 "mc_line 76 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d 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 = 0.111111*d11"
"MCREST = d11 - d11"
    dccorr
# 76 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d"
1 d11 ze
# 1 "mc_line 76 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d expanding definition of mc command after ze"
# 77 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d"
# 1 "mc_line 77 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d expanding start label for mc command"
2 MCWRK  * 2
LBLSTS2, MCWRK  * 2
LBLF2, MCWRK  * 3
LBLSTS1, MCWRK 
LBLF1, MCWRK
  MCREST
# 78 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d"
3 d1 pl1:f1 fq=cnst22(bf ppm):f2
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0

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

  (p13:sp2 ph5):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p24:sp9 ph1):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p13:sp8 ph2):f2

  4u
  30u fq=cnst21(bf ppm):f2

  (p13:sp2 ph6):f2
  d0
  (center (p14:sp7 ph1):f2 (p22 ph1):f3 )
  d0
  4u
  (p14:sp3 ph1):f2
  DELTA
  (p14:sp7 ph1):f2
  4u
  (p13:sp8 ph1):f2

  4u
  30u fq=cnst22(bf ppm):f2

  (p13:sp2 ph2):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p24:sp9 ph1):f2
  4u
  (p14:sp5 ph1):f2
  DELTA2
  (p13:sp8 ph1):f2

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

  d10
  (p14:sp5 ph1):f2
  DELTA3
  (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
  DELTA4
  (center (p2 ph1) (p22 ph1):f3 )
  DELTA4
  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 setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
  (p21 ph1):f3
  go=2 ph31
# 1 "mc_line 182 file /opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d 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  ip6
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
  MCWRK
# 185 "/opt/topspin2.1/exp/stan/nmr/lists/pp/trhncacogp3d"
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 0 0 0 2 2 2 2
ph7=1 3 0 2
ph8=1 3 2 0
ph9=3
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)
;sp1: f1 channel - shaped pulse  90 degree  (H2O on resonance)
;sp2: f2 channel - shaped pulse  90 degree  (on resonance)
;sp3: f2 channel - shaped pulse 180 degree  (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 requires higher selectivity than sp3
;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
;p24: f2 channel - 180 degree shaped pulse (sp9)
;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
;d22: 1/(4J(CaCO)                                      [4 msec]
;d23: 1/(4J(NCa)                                       [12 msec]
;d26: 1/(4J'(NH)                                       [2.3 msec]
;d30: decremented delay (F2 in 3D) = d23-p11-8u-p1
;cnst21: CO chemical shift (offset, in ppm)
;cnst22: Calpha chemical shift (offset, in ppm)
;o2p: CO chemical shift (cnst21)
;inf1: 1/SW(CO) = 2 * DW(CO)
;inf2: 1/SW(N) = 2 * DW(N)
;in0: 1/(2 * SW(CO)) =  DW(CO)
;nd0: 2
;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


;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: trhncacogp3d,v 1.15 2007/04/11 13:34:31 ber Exp $