# 1 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"
;noesyhsqcgpsm3d.2
;avance-version (04/01/07)
;NOESY-HSQC
;3D sequence with
;   homonuclear correlation via dipolar coupling 
;   dipolar coupling may be due to noe or chemical exchange.
;   H-1/X correlation via double inept transfer
;   simultaneous evolution of C-13 and N-15 chemical shift in t2
;phase sensitive (t1)
;phase sensitive (t2)
;with decoupling during acquisition
;using shaped pulses for inversion on f2 - channel
;
;S.M. Pascal, D.R. Muhandiram, T. Yamazaki, J.D. Forman-Kay & L.E. Kay, 
;   J. Magn. Reson. B103, 197 - 201 (1994)

;(09/29/06) Modified by SB to include CO Decoupling and phase cycling 
;switched to eliminate axial peaks in F1 with >4 scans.
;Powerlevel (pl12) for Adiabatic decoupling using CHIRP95 = power level for garp decoupling + 3dB 
;Reduce power used for 15N Garp Decoupling to ~250 us for PCPD3 (800-900 MHz)
;Reduce power used for 15N Garp Decoupling to ~300 us for PCPD3 (500-700 MHz)
;SEQLIB Macro should not be used

;(09/14/09) Modified by Alexander Eletsky
;Removed CO decoupling
;Removed refocussed echo in F2 to improve broadband performance in 13C
;Initial evolution in F2 set to half-dwell! Set PHC0=90.0, PHC1=-180.0, FCOR=1.0
;NS 4 phase cycle eliminates axial peaks in F1 and F2
;Recommended folding the 13C F2 dimension twice. One spectrum edge between Gly Ca and Pro Cd peaks ~47 ppm
;The opposite edge ~7 ppm for Ile CD1. Thus, 13C SW(F2) ~40 ppm, o2p ~67 ppm. Optimize for best results.
;Restored p19 gradient pulse (was set to p16)
;BLKGRAD active during t1 and mix, inactive during acquisition
;BLKGRAD needed to prevent lock signal from being disturbed by simultaneous 15N/13C decoupling
;
;Composite 13C pulse option instead of CHIRP. cnst31 defines 90-180-90 or 90-225-90.
;If (SF1/800)*(p3/12.5) > 1, use 90-180-90 (cnst31=2).
;
;Adiabatic 13C decoupling (ca-wurst shape): excitation bandwidth bw=140-160 ppm, adiabatic sweep f=1.25*bw
;pulse width pcpd2=1.0-1.4 ms, power factor n=f*pw/2 (must be even). Set pl12 ~1.5 dB higher than for GARP.
;cpd program p5m4sp180
;
;1 adiabatic decoupling sideband suppression option - E. Kupce, J. Magn. Reson. 129, 219 - 221 (1997)
;1 pulse: set p13 to one-half of pcpd2, same sweep amplitude, opposite sweep direction,
;power factor one-half that of the decopling pulse, set l0 to a power of 2 (2, 4, 8, etc.)
;Sideband suppression has a price of ~10-20% loss in S/N
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
                                                                                


prosol relations=<triple>


# 1 "/opt/topspin/exp/stan/nmr/lists/pp/Avance.incl" 1
;Avance2.incl
;   for 1
;
;avance-version (06/02/20)
;
;$CLASS=HighRes Incl
;$COMMENT=





















































































































;$Id: pulseprogram,v 1.1 2021/02/11 14:25:20 bmrbsvc Exp $
# 58 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2" 2

# 1 "/opt/topspin/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: pulseprogram,v 1.1 2021/02/11 14:25:20 bmrbsvc Exp $
# 59 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2" 2

# 1 "/opt/topspin/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: pulseprogram,v 1.1 2021/02/11 14:25:20 bmrbsvc Exp $
# 60 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2" 2




"p2=p1*2"

"p4=p3*2"
"p24=p3*cnst31"

"p22=p21*2"

"d4=1s/(cnst2*4)"

"d11=30m"

"d12=20u"

"d26=1s/(cnst4*4)"


"p16=1m"
"p19=3m"
"p29=4m"

"in0=inf1/2"
"in10=inf2/2"
"in29=in30-in10"

"d0=in0/2-(p1*2)/3.14159"
"d10=in10/2-p1-(p3*2)/3.14159"
"d29=in30/2-(p21*2)/3.14159-p3-d10-p1"

"DELTA2=d26-d4-300u"

"DELTA1=d4-p16-d16-(p4+p24+2u)/2"
"TAU2=300u+(p4+p24+2u-p2)/2"
"TAU3=300u+(p4+p24-p22*2)/2"





"DELTA3=DELTA1-p3-p21"

"TAU=d8-p19-p16-d16*2-p3-104u"




"DELTA5=p13/l0"
"DELTA6=p13"




"spoff13=0"


aqseq 321


# 1 "mc_line 121 file /opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2 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 = td1 / (2)"
define loopcounter ST2CNT
"ST2CNT = td2 / (2)"
"MCWRK = 0.076923*d11"
"MCREST = d11 - d11"
    dccorr
# 121 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"
1 ze
# 1 "mc_line 121 file /opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2 expanding definition of mc command after ze"
# 122 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"
  d11 pl12:f2 pl16:f3
# 1 "mc_line 123 file /opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2 expanding start label for mc command"
2 MCWRK  * 2 do:f2  do:f3
LBLSTS2, MCWRK  * 2
LBLF2, MCWRK  * 7
LBLSTS1, MCWRK 
LBLF1, MCWRK 
  MCREST
# 124 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"
3 d12 pl10:f1 pl2:f2 pl3:f3
  p17 ph1
  p17*2 ph2
  50u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7


  d1 pl1:f1 pl2:f2 pl3:f3




  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0
  p16:gp7
  d16
  50u setnmr3^0 setnmr0^34^32^33 ctrlgrad 7

  (p1 ph3)

  if "d0 > larger(p21*4+4u,p4+p24+4u)" goto 11
  if "d0*2 > p4+p24+4u" goto 12
  d0*2
  goto 13
11 (ralign
     (d0)
     (p3 ph1 1u p24 ph2 1u p3 ph1):f2
   )
   (lalign
     (d0)
     (p21 ph1 1u p22 ph2 1u p21 ph1):f3
   )
   goto 13
12 (center
     (d0*2)
     (p3 ph1 1u p24 ph2 1u p3 ph1):f2
   )
13 (p1 ph1)
# 176 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"

 

  TAU
  50u setnmr3|0 setnmr0|34|32|33 ctrlgrad 0

  p19:gp1
  d16 pl2:f2 pl1:f1
  (p3 ph1):f2
  4u
  p16:gp2
  d16

  (p1 ph1)
  4u
  p16:gp3

  d16
  DELTA1
  (lalign
   (DELTA2 TAU2 p2 ph1 TAU2)
   (p3 ph1 1u p24 ph2 1u p3 ph1):f2
   (DELTA2 TAU3 p21 ph1 1u p22 ph2 1u p21 ph1 TAU3):f3
  )
# 208 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"

  DELTA2
  DELTA1
  4u
  p16:gp3
  d16
  (p1 ph2)

  4u
  p29:gp4
  d16 pl2:f2

  (p21 ph5):f3
  d29
  (p3 ph4):f2 
  d10
  (p2 ph1)
  d10
  (p3 ph1):f2
  d29
  (p21 ph1):f3 

  4u
  p19:gp5
  d16 

 (p1 ph6)
  4u
  p16:gp6
  

  d16
  DELTA1
  (lalign
   (DELTA2 TAU2 p2 ph1 TAU2):f1
   (p3 ph1 1u p24 ph2 1u p3 ph1):f2
   (DELTA2 TAU3 p21 ph1 1u p22 ph2 1u p21 ph1 TAU3):f3
  )
# 254 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"

  DELTA2
  DELTA3
  4u
  p16:gp6
  d16 pl2:f2
  (p21 ph1):f3
  (p3 ph1):f2
  

   "l12=nsdone%l0"
   "l9=l0-1-l12"
   "l13=l9+l0-1"
   (p1 ph7)
   if "l12<=0" goto 5
4  DELTA5
   lo to 4 times l12
5  4u pl0:f2
   (p13:sp26 ph1):f2 ;seadpw
   4u
6  DELTA5
   lo to 6 times l13
   (p2 ph1):f1
   if "l9<=0" goto 8
7  DELTA5
   DELTA5
   lo to 7 times l9
8  4u pl12:f2 pl16:f3
   4u cpds2:f2
   DELTA6
   if "l12<=0" goto 10
9  DELTA5
   DELTA5
   lo to 9 times l12
10 go=2 ph31 cpd3:f3







# 1 "mc_line 296 file /opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2 expanding mc command in line"
  MCWRK  do:f2 do:f3 wr #0 if #0 zd ip4  MCWRK  ip5
  lo to LBLSTS2 times 2
  MCWRK id10  MCWRK  id29
  lo to LBLF2 times ST2CNT
  MCWRK rd10  MCWRK  rd29  MCWRK  rp4  MCWRK  rp5  MCWRK  ip3  MCWRK  ip3  MCWRK  ip8
  lo to LBLSTS1 times 2
  MCWRK id0
  lo to LBLF1 times ST1CNT
  MCWRK
# 299 "/opt/topspin/exp/stan/nmr/lists/pp/user/AD_noesyhsqcgpsm3d.2"
  d11 setnmr3^0 setnmr0^34^32^33 ctrlgrad 7
exit
   

ph1=0 
ph2=1
;ph3=0 0 2 2 
ph3=(8) 1 1 5 5 
ph4=0 2 
ph5=2 0
ph6=0
ph7=2
ph8=1 1 3 3 
ph9=0 0 
ph31=0 2 2 0


;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)
;pl10: f1 channel - power level for TOCSY-spinlock (trim pulse)
;pl12: f2 channel - power level for CPD/BB decoupling
;pl16: f3 channel - power level for CPD/BB decoupling
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;sp26: f2 channel - 1 shaped pulse (adiabatic)
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p4 : f2 channel - 180 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p13: f2 channel - 1 pulse
;p16: homospoil/gradient pulse                       [1 msec]
;p17: f1 channel - trim pulse                        [4 msec]
;p18: homospoil/gradient pulse                       [1 msec]
;p19: gradient pulse 2                               [3 msec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p29: gradient pulse 3                               [4 msec]
;p61: H2O flipback pulse
;d0 : incremented delay (F1 in 3D)                   [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(CH))
;d8 : mixing time
;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
;d26: 1/(4J(NH))
;d29: decremented delay (F2 in 3D)                   [3 usec]
;cnst2: = J(CH)                                      [155 Hz]
;cnst4: = J(NH)                                      [110 Hz]
;cnst31: = composite pulse multiplier                [2, 2.5]
;l0: = 1 steps                                    [2, 4, 8]
;in0: 1/(2 * SW(H)) =  DW(H)
;nd0: 2
;in10: 1/(2 * SW(C)) = DW(C)
;nd10: 2
;in29: in30 - in10
;in30: 1/(2 * SW(N)) = DW(N)
;NS: 4 * n
;DS: >= 16
;td1: number of experiments in F1
;td2: number of experiments in F2
;FnMODE: States-TPPI (or TPPI) in F1
;FnMODE: States-TPPI (or TPPI) in F2
;cpd2: decoupling according to sequence defined by cpdprg2
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd2: f2 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 : gp 4 : gp 5 : gp 6 : gp 7
;                         30 :   40 :   16 :   60 :  -36 :   16 :   50

;for z-only gradients:
;gpz1: 30%
;gpz2: 40%
;gpz3: 16%
;gpz4: 60%
;gpz5: -36%
;gpz6: 16%
;gpz7: 50%

;use gradient files:   
;gpnam1: SINE.100
;gpnam2: SINE.100
;gpnam3: SINE.100
;gpnam4: SINE.100
;gpnam5: SINE.100
;gpnam6: SINE.100
;gpnam7: SINE.100


;$Id: pulseprogram,v 1.1 2021/02/11 14:25:20 bmrbsvc Exp $