# 1 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d"
;ccconhgp3d
;avance-version (03/02/26)
;CCCONH
;3D sequence with
;   inverse correlation for triple resonance using 
;      dipsi2 and inept transfer steps 
;
;      F2(Caliph.,t1 -> 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 constant time in t2
;starting with C-13 magnetization
;(use parameterset CCCONHGP3D)
;
;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 "/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 $
# 32 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d" 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 $
# 33 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d" 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 $
# 34 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d" 2




"d0=3u"

"d11=30m"

"d12=20u"

"d21=3.6m"
"d22=4.4m"
"d23=12.4m"
"d25=5.5m"
"d26=2.3m"


"in29=in10"
"in30=in10"

"d10=d23/2-p14/2"
"d29=d23/2-p14/2-p26-d25-4u"
"d30=d23/2-p14/2"


"l1=(d15/(p9*115.112))+0.5"


"DELTA1=d21+4u-d12*2-p26"
"DELTA2=d23+4u-d22"
"DELTA3=d25-p16-d16-4u"
"DELTA4=p16+d16+7u"
"DELTA5=d0*2+larger(p14,p22)-p14"


"spoff2=0"
"spoff3=0"
"spoff5=bf2*((cnst21-cnst23)/1000000)"
"spoff7=bf2*((cnst22-cnst21)/1000000)"
"spoff8=0"


aqseq 321


# 1 "mc_line 79 file /opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d 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 = 0.076923*d11"
"MCREST = d11 - d11"
# 79 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d"
1 ze
# 1 "mc_line 79 file /opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d expanding definition of mc command after ze"
# 80 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d"
  d11 pl16:f3
# 1 "mc_line 81 file /opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d expanding start label for mc command"
2 MCWRK  * 2 do:f3
LBLSTS2, MCWRK  * 6
LBLF2, MCWRK  * 4
LBLSTS1, MCWRK 
LBLF1, MCREST
# 82 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d"
3 d11 fq=cnst23(bf ppm):f2
  d1
  d12 pl1:f1 pl0:f2 pl3:f3

  (p2 ph1)

  (p13:sp2 ph4):f2
  4u
  d0
  (center (p2 ph1) (p14:sp5 ph1):f2 (p22 ph1):f3 )
  d0
  4u
  (p14:sp3 ph1):f2
  DELTA5
  (p14:sp5 ph1):f2
  4u
  4u 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
  (p26 ph1):f1
  d12 cpds1:f1 ph2
  (p14:sp5 ph1):f2
  DELTA1 
  (p14:sp3 ph1):f2
  4u
  (p14:sp5 ph1):f2
  d21
  (p13:sp8 ph1):f2

  4u
  d12 fq=cnst21(bf ppm):f2

  (p13:sp2 ph5):f2
  d22
  (p14:sp7 ph1):f2
  DELTA2 pl3:f3
  (center (p14:sp3 ph1):f2 (p22 ph8):f3 )
  d23 setnmr3|0 setnmr0|34|32|33
  (p14:sp7 ph1):f2
  4u
  (p13:sp8 ph1):f2

  4u do:f1
  (p26 ph10):f1
  4u
  p16:gp1
  d16
  (p26 ph2):f1
  4u cpds1:f1 ph1

  (p21 ph6):f3
  d30
  (p14:sp7 ph1):f2
  d30
  (center (p14:sp3 ph1):f2 (p22 ph3):f3 )
  d10
  (p14:sp7 ph1):f2
  d29
  4u do:f1
  (p26 ph9):f1
  4u
  p16:gp2*EA
  d16 
  DELTA3 pl1:f1

  (center (p1 ph1):f1 (p21 ph1):f3 )
  d26
  (center (p2 ph1):f1 (p22 ph1):f3 )
  d26
  (center (p1 ph2):f1 (p21 ph7):f3 )
  d26
  (center (p2 ph1):f1 (p22 ph1):f3 )
  d26
  (p1 ph1):f1
  DELTA4
  (p2 ph1):f1
  3u
  p16:gp3
  d16 pl16:f3
  4u setnmr3^0 setnmr0^34^32^33
  go=2 ph31 cpd3:f3
# 1 "mc_line 206 file /opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d 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  id29  MCWRK  dd30  MCWRK  ip6*2  MCWRK  ip8*2  MCWRK  ip31*2
  lo to LBLF2 times ST2CNT
  MCWRK rd10  MCWRK  rd29  MCWRK  rd30  MCWRK  ip4
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
# 209 "/opt/xwinnmr/exp/stan/nmr/lists/pp/ccconhgp3d"
exit


ph1=0
ph2=1
ph3=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph4=1 1 3 3
ph5=0 0 0 0 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


;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
;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
;p26: f1 channel -  90 degree pulse at pl19
;d0 : incremented delay (F1 in 3D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d10: incremented delay (F2 in 3D) =  d23/2-p14/2
;d11: delay for disk I/O                               [30 msec]
;d12: delay for power switching                        [20 usec]
;d15: TOCSY mixing time                                [12 msec]
;d16: delay for homospoil/gradient recovery
;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: incremented delay (F2 in 3D) = d23/2-p14/2-p26-d25-4u
;d30: decremented delay (F2 in 3D) = d23/2-p14/2
;cnst21: CO chemical shift (offset, in ppm)
;cnst22: Calpha chemical shift (offset, in ppm)
;cnst23: Caliphatic chemical shift (offset, in ppm)
;o2p: Caliphatic chemical shift (cnst23)
;l1: loop for DIPSI2 cycle: ((p6*115.112) * l1) = mixing time
;in0: 1/(2 * SW(H)) =  DW(H)
;nd0: 2
;in10: 1/(4 * SW(N)) = (1/2) DW(N)
;nd10: 4
;in29: = in10
;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


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

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

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



;$Id: ccconhgp3d,v 1.11.2.2 2003/02/26 07:58:29 ber Exp $