# 1 "/u/exp/stan/nmr/lists/pp/cbcaconhse.dah"
;cbcaconhse.fa
;3D CBCA(CO)NH - Gradient enhanced.
;Grzesiek and Bax, J. Am. Chem. Soc., 114, 6291-6293 (1992)
;Muhandiran and Kay, J. Magn. Reson. B 103, 203-216 (1994)
;Bruker Avance/Xwin-nmr version
;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu)
;
;  $Id: pulseprogram,v 1.1 2021/02/10 21:52:54 bmrbsvc Exp $
;
;  Disclaimer: This pulse program is provided "as is" for your
;  information. Support for the use of this pulse program is only
;  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 or 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)
;Gradient program: facbcaconhse
;o1p: 4.7ppm,
;o2p: 118ppm,
;o3p: use fq3list facbcaconh.C: CAB,CA (43ppm, 56ppm)
;
;d1: relaxation delay=d1+0.1s
;d10: 15N CT (12.4-11.1ms)
;d19: 13C-15N transfer (TAUE) (12.4-11.4ms)
;p1: 90 H1 at pl1
;p2: 90 N15 at pl2
;p3 90 Cab at pl3 (for 90 Cab)
;p6 90 Cab at pl6 (for 180 Cab)
;p4 90 Ca at pl4
;p5 180 CO SEDUCE1 shape at power sp5, offset CO-Cab
;p7 90 CO square shaped at power sp7 offset CO-Ca
;p8 180 CO square shaped at power sp8 offset CO-Ca
;
;H1  Waltz-16x or DIPSI-2x (cpdprg1), using p90 (PCPD1) at pl11
;N15 Waltz-16 (cpdprg2), using p90 (PCPD2) at pl12
;Ca  SEDUCE1 decoupling of Ca, using pcpd3 at sp3,
;    shape seduce1 offset 0, cpdprg3 waltz16sp3.
;N15 evolution:
;  in10=in30, SW(N)=1/2*in10
;  l4 complex points; max. is (d10/in10)+1
;  Process as Echo-AntiEcho
;  N15 chemical shift axis is reversed: set reverse to true.
;C13 evolution:
;  in0=in20, SW(C)=1/2*in0
;  l6 complex points, max. is (d20/in20)+1
;  Process as States (although data is acquired as States-TPPI)
;ns=4, 8, ..., ds=2*m*ns, m=1, 2, ...
;
;Recommendations for gradients:
;p15=500u
;p16=1m
;p17=250u
;p18=1.250m
;p19=125u
;p20=1.5m
;cnst21=12% (8G/cm)
;cnst22=29% (20G/cm)
;cnst23=22% (15G/cm)
;cnst24=29% (20G/cm)
;cnst25=44% (30G/cm)
;cnst26=20% (20G/cm)
;cnst27/28=-/+44% (-/+30G/cm)
;cnst30=1.800 (adjust) for magic angle gradient (Gx/Gz) or 0 for Gz only.
;
;#define ONE_D		;uncomment for 1D exp, set cnst28=cnst27


;#define SHORT_P2	;uncomment if p8/2 > p2
;
;Define channel assignments:



;
;You shouldn't have to worry about anything beyond this point :-)
;
;sanity checks
;
# 84 "/u/exp/stan/nmr/lists/pp/cbcaconhse.dah"

;
aqseq 321
;
define delay TAUA
define delay TAUB
define delay TAUC
define delay TAUD
define delay TAUE
define delay TAUF
define delay TAUG
define delay TAUH
define delay T
define delay C_H_N
define delay C_H_CAB
define delay C_N_CO
define pulse H1_180
define pulse CAB_180
define pulse CA_180
define pulse CO_180
define pulse N15_180
"d6=p1"
"d7=p2"
"d11=100m"
"d12=10u"
"d13=5u"
"d14=40u"
"d16=200u"
"d17=50u"
"d23=d13*2+d12"
"d24=p4*2"
"d0=3u"
"d20=3.6m-p5-p17-d16-d13-d12"
"d10=11.4m"
"d30=d10-5.5m-d13*2"
"d19=11.4m"
; d19 = TAUE = 12.4 ms for small proteins, 11.4 ms for larger proteins
; d10:  12.4 ms for small proteins, 11.1 for large proteins
"TAUA=1.8m-p15-d13"
"TAUB=1.1m-p5-p17-d16-d13"
"TAUC=3.6m-p5-d13*3-d12*2"
"TAUD=4.4m"
"TAUE=d19"
"TAUF=5.5m-p18-d12-d13*2-d16"
"TAUG=2.3m-p15"
"TAUH=500u"
"d18=TAUH-p19-d13"
"T=d20"
"H1_180=p1*2"
"CAB_180=p6*2"
"CA_180=p4*2"
"CO_180=p8"
"N15_180=p2*2"
"C_H_CAB=p6-p1"
"C_H_N=p2-p1"
# 141 "/u/exp/stan/nmr/lists/pp/cbcaconhse.dah"











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





























# 152 "/u/exp/stan/nmr/lists/pp/cbcaconhse.dah"

# 1 "/u/exp/stan/nmr/lists/pp//Gradfa.incl"
;Gradfa.incl  -  include file for Gradient Spectroscopy
;avance-version
; $Id: pulseprogram,v 1.1 2021/02/10 21:52:54 bmrbsvc Exp $
;


















define list<gradient> EA=<EA>

# 153 "/u/exp/stan/nmr/lists/pp/cbcaconhse.dah"

1 ze
2 d11 do:f2
  d14
  d14
3 d14
  d14
  d14
  d14
  d14
  d14
4 d14
  d14
  d14
5 d14
  d14
  d14
  d14
6 20u setnmr2^0
  d1 pl1:f1 pl2:f2
;--------------------- carbon freq. on Cab ---------------
  50u fq3:f3
  (p3 ph0):f3
  20u setnmr2|0
  d13
   p15:ngrad:c34   ;500u, 8G/cm
  d16
;--------------------- INEPT to Cab ----------------------
  (p1 ph0):f1
  d13
   p15:ngrad:c34   ;500u, 8G/cm
  TAUA pl6:f3
  (C_H_CAB H1_180 ph0):f1 (CAB_180 ph0):f3
  d13
   p15:ngrad:c34   ;500u, 8G/cm
  TAUA
;  (p1*55 ph0):f1
  d13
  (p1 ph1):f1
  d13
   p16:ngrad:c34   ;1m, 20G/cm
  d16 pl3:f3
  (p3 ph11):f3
;--------------------- Constant time Cab evolution --------
  d0
  d12 pl0:f3
  (p5:sp5 ph0):f3 (N15_180 ph0):f2
  d13
   p17:ngrad:c34   ;250u, 20G/cm
  d16
  (T) (TAUB H1_180 ph0):f1
  d12 pl6:f3
  (CAB_180 ph0):f3
  3u
  d20
   p17:ngrad:c34   ;250u, 20G/cm
  d16 
  d12 pl0:f3
  (p5:sp5 ph0):f3
  d13
  d12 pl3:f3
;----------------------- INEPT to f3' ---------------------
  (p3 ph0):f3
  d13 \n d12 pl11:f1 \n d13 cpds1:f1
  d12 pl0:f3
  (p5:sp5 ph0):f3
  d13
  TAUC pl6:f3
  (CAB_180 ph12):f3
  d12 pl0:f3
  (p5:sp5 ph0):f3
  d13
  TAUC pl3:f3
  d23
  (p3 ph0):f3
  d13 do:f1 \n d12 pl1:f1
   p16:ngrad:c34   ;1m, 15G/cm
  d17
  d13 \n d12 pl11:f1 \n d13 cpds1:f1
;----------------------- Switch frequency to Ca --------------
  d16 fq3:f3
;----------------------- INEPT to f2 --------------------------
  d12 pl0:f3
  (p7:sp7 ph13):f3
  d13
  d12 pl4:f3
  (TAUE) (TAUD CA_180 ph0):f3
  d12 pl0:f3
  d24
  (CO_180:sp8 ph0):f3 
  (TAUE) (N15_180 ph0):f2
  d12 pl4:f3
  (CA_180 ph0):f3
  d13
  d12 pl0:f3
  (p7:sp7 ph0):f3
  d13 do:f1 \n d12 pl1:f1
   p20:ngrad:c34     ;1.5m, 20G/cm
  d17
  d13 \n d12 pl11:f1 \n d13 cpds1:f1 
  d16 pl0:f3
  d13 \n d12 pl0:f3 \n d13 cpds3:f3
  (p2 ph14):f2
  d10
  d13 do:f3
  d12 pl0:f3
# 261 "/u/exp/stan/nmr/lists/pp/cbcaconhse.dah"

  (CO_180:sp8 ph0):f3 (N15_180 ph15):f2

  d13 \n d12 pl0:f3 \n d13 cpds3:f3
  d30
  d13 do:f1 \n d12 pl1:f1
  TAUF
  d13 do:f3
  d13
   p18:ngrad:c34     ;1.25m, 30G/cm
  d16
  (p2 ph16):f2
  d6 
  (p1 ph0):f1
  d13
   p15:ngrad:c34     ;500u, 8G/cm
  TAUG
  (N15_180 ph0):f2
  (H1_180 ph0):f1
  d13
   p15:ngrad:c34     ;500u, 8G/cm
  TAUG
  d7
  (p2 ph1):f2
  (p1 ph1):f1
  d13
   p15:ngrad:c34     ;500u, 8G/cm
  TAUG
  (C_H_N H1_180 ph0):f1 (N15_180 ph0):f2
  d13
   p15:ngrad:c34     ;500u, 8G/cm
  TAUG
  (p1 ph0):f1
  TAUH
  (H1_180 ph0):f1
  d13
   p19:ngrad:c34     ;125u, -+30G/cm
  d18 pl12:f2
  go=2 ph31 cpd2:f2
# 302 "/u/exp/stan/nmr/lists/pp/cbcaconhse.dah"

  d11 do:f2 wr #0 if #0 zd


  d14 ip16
  d14 ip16
  lo to 3 times 2
  d14 dd10
  d14 id30
  d14 ip14
  d14 ip14
  d14 ip31
  d14 ip31
  lo to 4 times l4
  d14 rd10
  d14 rd30


  d14 ip11
  lo to 5 times 2
  d14 id0 
  d14 dd20
  d14 ip31
  d14 ip31
  lo to 6 times l6

  20u setnmr2^0
exit

ph0=0
ph1=1
ph2=2
ph3=3
ph11=0
ph12=0 2
ph13=0 2
ph14=0
ph15=0 0 2 2
ph16=0
ph31=0 2