# 1 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"
;n15noefhsqc.fa
;3D 15N-NOESY-FHSQC, with optional C13 decoupling and SEDUCE-1 decoupling
; This program uses the gp gradient syntax
;Talluri and Wagner, J. Magn. Reson. B 112, 200-205 (1996)
;Mori et al., J. Magn. Reson. B 108, 94-98 (1995)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
;  $Id: pulseprogram,v 1.1 2021/02/10 21:35:05 bmrbsvc Exp $
;
;  Disclaimer: This pulse program is provided "as is" for your
;  information. Support for the use of this pulse program is
;  provided to users of the National Magnetic Resonance Facility
;  at Madison (NMRFAM). Users of this pulse program employ it at
;  their own risk. Neither NMRFAM nor University of Wisconsin-Madison
;  are liable for any physical or other damage incurred during the
;  use of this pulse program.
;
;f1: 1H, f2: 15N, f3: 13C (channel assignments may be changed below)
;o1p: 4.7ppm
;o2p: 118ppm
;o3p:: 46ppm
;
;p1 90 H1 at pl1
;p2 90 N15 at pl2
;p3 90 C13 at pl3 (for 90 C)
;d21: 1/(2*dNu), dNu=Nu(NH)-Nu(H2O)
;d8: mixing time
;N15 Waltz-16 PCPD at pl12, cpdprg2
;C'  Compensated SEDUCE1 decoupling of C', using pcpd at sp3, 
;    shape seduce1c5/6, offset 0, cpdprg3 waltz16sp3.
;H1 evolution:
;   SW(H)=1/2*in10,
;   l6 complex points,
;   set cnst10 to 0 (preferably) or 1 to make d10 the smallest possible
;   positive delay (use ASED to check).
;   Phase correction: add 45 dgr. to ph0 calculated from cnst10 (d10):
;      cnst10=0: ph0=90+45, ph1=-180
;      cnst10=1: ph0=270+45, ph1=-540 (w/o LP)
;N15 evolution:
;   SW(N)=1/2*in0,
;   l4 complex points,
;   initial delay = in0; Phase correction: ph0=90, ph1=-180.
;ns=8, 16, ..., ds=8, 16, ...
;
;Recommendations for gradients, three axis (single axis):
;gpx1:   5% (0%)
;gpy1:   5% (0%)
;gpz1:   5% (20%)
;gpz2:   6% (6%)
;gpx3:  54%, adjust for ma (0%)
;gpz3:  30% (55%)
;gpx4:  22% (0%)
;gpz4:   0% (22%)
;gpnam1: sine.50
;gpnam2: sine.100
;gpnam3: sine.100
;gpnam4: sine.100

;#define ONE_D		; uncomment for 1D experiment


;#define C13_LABEL	; uncomment for C13 decoupling


			; the correct exp. time (works with XWIN-NMR 2.x)
;
;Define channel assignments:



;
;You shouldn't have to worry about anything beyond this point :-)
;
# 78 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"




;
;
define delay TAU1
define delay TAU3
define delay TAUM
define delay TAUW
define delay TAUW1
define delay CEN_HN1
define delay CEN_HC1
define pulse H1_90
define pulse H1_180
define pulse N15_90
define pulse N15_180
define pulse C13_90
define pulse C13_180
define pulse GRAD1
define pulse GRAD2
define pulse GRAD3
define pulse GRAD4

"d11=100m"                      ;disk i/o
"d13=5u"                        ;a short delay
"d14=60u"                       ;ip,id etc.
"d16=300u"                      ;gradient recovery
"H1_90=p1"
"H1_180=H1_90*2"
"N15_90=p2"
"N15_180=N15_90*2"
"d6=H1_90"
;
"GRAD1=500u"
"GRAD2=1.0m"
"GRAD3=700u"
"GRAD4=700u"
;
"TAU1=2.25m-GRAD1-d16-d13"
"TAUM=d8"
"TAUW=d21"
"TAU3=2.25m-TAUW*2.5-H1_90*2.385-GRAD3-d16-d13"
"TAUW1=(TAUW/2)-N15_90"
"CEN_HN1=N15_90-H1_90"

# 128 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"




# 139 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  "d0=(in0-N15_90*1.273-H1_180-d13*2)/2"





  "d10=((cnst10*2+1)*in10-(H1_90*1.273+N15_180))/2"



  "d31=2*(TAU1+TAU3+2*TAUW+TAUW1+GRAD1+GRAD2+GRAD3)+TAUM+GRAD4"


# 156 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"






# 1 "/u/exp/stan/nmr/lists/pp//Avance.incl"
;Avance.incl
;
;version  99/08/02





























# 162 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

# 1 "/u/exp/stan/nmr/lists/pp//Grad.incl"
;Grad.incl  -  include file for Gradient Spectroscopy
;avance-version
;version 99/02/19
















define list<gradient> EA=<EA>
# 163 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

1 ze
2 d13
  d14 do:f2
  d11 setnmr2^0
3 d14
  d14
  d14
4 d14
  d14
  d14
5 d14
  d14
  d14
6 d13


# 1 "/u/exp/stan/nmr/lists/pp//faexptcorr.incl"
; This is here to trick "expt" to calculate the experiment time
; correctly.
  if "1 == 1" goto nod31
  d31
nod31, d13
# 180 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  d1 pl1:f1 pl2:f2
# 184 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  d13 setnmr2|0
  d13 setnmr0|34
  (N15_90 ph0):f2
  d13
  GRAD4:gp4			;700u, 15G/cm, x
;  GRADIENT17(cnst24)   ;700u, 15G/cm
  d16

  (H1_90 ph11):f1
  d10
# 199 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  (N15_180 ph12):f2

  d10
# 206 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  (H1_90 ph13):f1
  TAUM
  (H1_90 ph0):f1
  d13
  GRAD1:gp1			;500us, 4G/cm
;  GRADIENT15(cnst21)   ;500u, 7G/cm
  d16
  TAU1
  (CEN_HN1 H1_180 ph0):f1 (N15_180 ph0):f2
  TAU1
  d13
  GRAD1:gp1			;500us, 4G/cm
;  GRADIENT15(cnst21)   ;500u, 7G/cm
  d16
  (H1_90 ph1):f1
  d13
  GRAD2:gp2			;1.0m, 4G/cm
;  GRADIENT16(cnst22)   ;1.0m, 4G/cm
  d16 

  d13
  (N15_90 ph15):f2
  d0 
  d13
# 233 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  (H1_180 ph12):f1

  d13
  d0 
  (N15_90 ph16):f2
  d13
# 246 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  d13
  GRAD2:gp2			;1.0m, 4G/cm
;  GRADIENT16(cnst22)   ;1.0m, 4G/cm
  d16 
  (H1_90 ph2):f1
  d13
  TAU3
  GRAD3:gp3			;700u, 40G/cm
;  GRADIENT17(cnst23)   ;700u, 10G/cm
  d16
  (H1_90*0.231 ph1):f1
  TAUW
  (H1_90*0.692 ph1):f1
  TAUW
  (H1_90*1.462 ph1):f1
  TAUW1
  (N15_180 ph0):f2
  TAUW1
  (H1_90*1.462 ph3):f1
  TAUW
  (H1_90*0.692 ph3):f1
  TAUW
  (H1_90*0.231 ph3):f1
  d13
  GRAD3:gp3			;700u, 40G/cm
;  GRADIENT17(cnst23)   ;700u, 10G/cm
  d16 pl12:f2
  TAU3
  d6 setnmr0^34
  go=2 ph31 cpd2:f2

# 280 "/u/exp/stan/nmr/lists/pp/n15noefhsqc.sp"

  d11 do:f2 wr #0 if #0 zd

  d13 setnmr2^0

  d14 ip15
  lo to 3 times 2
  d14 id0 
  d14 ip31
  d14 ip31
  lo to 4 times l4
  d14 rd0


  d14 ip11
  d14 ip11
  lo to 5 times 2
  d14 id10
  d14 ip31
  d14 ip31
  lo to 6 times l6



exit
  
ph0=0
ph1=1
ph2=2
ph3=3
ph11=(8) 7
ph12=0 0 0 0 2 2 2 2
ph13=0 2
ph15=0 0 2 2
ph16=0 0 0 0 0 0 0 0 ; 2 2 2 2 2 2 2 2
ph18=0
ph31=0 2 2 0 0 2 2 0 ; 2 0 0 2 2 0 0 2