F1F2-selective NMR: Pulse programs

All pulse programs are in Bruker format.

Overview

Currently, the following pulse programs are available for download:

Experiment Download Comment
F1F2-selective HN(CA)NH f1f2hncanh  
F1F2-selective HN(CA)NH f1f2hncanh3d pseudo-3D version
F1F2-selective NOESY-[1H, 15N]-HSQC f1f2nNnoesygpsi  
F1F2-selective NOESY-[1H, 15N]-HSQC f1f2nNnoesygpsi3d pseudo-3D version
F1F2-selective NOESY-[1H, 13C]-HSQC f1f2nCnoesygp  
F1F2-selective NOESY-[1H, 13C]-HSQC f1f2nCnoesygp3d pseudo-3D version
F1F2-selective [15N]-R1ρ relaxation dispersion f1f2Nr1rho  
F1F2-selective [15N]-R1ρ relaxation dispersion f1f2Nr1rho3d pseudo-3D version
F1F2-selective [15N]-R1ρ relaxation dispersion f1f2Nonr1rho4d pseudo-4D version
F1F2-selective [15N]-ZZ exchange f1f2Nzzhsqcgpsi  

F1F2-selective NMR spectroscopy

The F1F2-selective pulse sequences are introduced in these publications:

Walinda, E., Morimoto, D., Shirakawa, M., and Sugase K.,
F1F2-selective NMR spectroscopy
J Biomol NMR 2017, 68(1), 41–52.

Nishizawa, M., Walinda, E., Morimoto, D., and Sugase, K.
Pinpoint analysis of a protein in slow exchange using F1F2-selective ZZ-exchange spectroscopy: assignment and kinetic analysis.
J Biomol NMR 2020, in press

Please feel free to inquire, if you have questions regarding the setup of these experiments.

F1F2-selective HN(CA)NH

This pulse program is a F1F2-selective HN(CA)NH experiment to probe a single resonance. For the pseudo-3D version, which acquires 2D spectra for multiple residues, please see the next section.

You can download the pulse program here - f1f2hncanh

;f1f2hncanh
;
;avance-version (05/23/2017)
;2D F1F2-selective HN(CA)NH
;2D sequence with
;   inverse correlation for triple resonance using multiple
;      inept transfer steps
;on/off resonance Ca and C=O pulses using shaped pulse
;phase sensitive (t1)
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;using semi-constant time in t1
;
;      F1(H) -(CP)-> F2(N) -> F3(Ca) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>


define pulse Pcp
"Pcp=10.8ms"
"p2=p1*2"
"p22=p21*2"
"p26=pcpd1"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"	; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"	; 15N CP power
"plw16=plw3*pow((p21/pcpd3),2)"		; 15N decoupling power
"plw19=plw1*pow((p1/pcpd1),2)"		; 1H decoupling power
"spw1=plw1*pow((p1/(p11*0.5889)),2)"	; Water-flip-back pulse power

"cnst5=sfo1*cnst19-o1*1000000"
"cnst6=sfo3*cnst0-o3*1000000"

"d11=30m"
"d21=5.5m"
"d23=12.4m"
"d26=2.3m"
"d27=12.5m"

"d0=d23/2-p14/2"
"d17=3u"
"d29=d23/2-p14/2-p26-d21-4u"
"d30=d23/2+p14/2+d17"

"in0=inf1/4"

"FACTOR2=d30*10000000*2/td1"
"in30=FACTOR2/10000000"

"if ( in30 > in0 ) { in17 = 0; } else { in17=in0-in30; }"
"if ( in30 > in0 ) { in30 = in0; }"

"in29=in0"

"DELTA=d21-p16-d16"
"DELTA1=p16+d16+4u"

"spoff2=0"
"spoff3=0"
"spoff5=bf2*(cnst21/1000000)-o2"
"spoff8=0"
"spoff9=0"

"acqt0=0"
baseopt_echo


1 ze
  d11 pl16:f3
2 d11 do:f3
3 d1 pl0:f1
  50u UNBLKGRAD
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq=cnst5 (sfo hz):f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3 fq=cnst6 (sfo hz):f3
  (Pcp ph1):f1				(Pcp ph0):f3	; cross polarization
  4u pl19:f1 fq=0 (sfo hz):f1 fq=0 (sfo hz):f3 pl3:f3
;*******************************************************
					(p21 ph1):f3
  p16:gp1
  d16
  (ralign (p26 ph3):f1			(p21 ph4):f3 )
  d23 cpds1:f1 ph0
  (center	(p14:sp3 ph0):f2	(p22 ph0):f3 )
  d23
					(p21 ph0):f3
  4u do:f1
  (p26 ph1):f1
  p16:gp4
  d16
  (p26 ph3):f1
  4u cpds1:f1 ph0
;******************************************************* N -> Ca
		(p13:sp2 ph0):f2
  d27
		(p14:sp5 ph0):f2
  d27
	(center (p24:sp9 ph0):f2	(p22 ph0):f3 )
  d27
  		(p14:sp5 ph0):f2
  d27
  		(p13:sp8 ph0):f2
;******************************************************* Ca -> N
  4u do:f1
  (p26 ph1):f1
  p16:gp5
  d16
  (p26 ph3):f1
  4u cpds1:f1 ph0
;******************************************************* 15N chemical shift evolution
 					(p21 ph5):f3	
  d30
  		(p14:sp5 ph0):f2
  d30
					(p22 ph8):f3
  d17
  		(p14:sp5 ph0):f2
  d17
		(p14:sp3 ph0):f2
  d0
  		(p14:sp5 ph0):f2
  d29
;*******************************************************
  4u do:f1
  (p26 ph1):f1
  p16:gp2*EA
  d16 
  DELTA pl1:f1
;******************************************************* PEP
  (center (p1 ph0):f1 			(p21 ph6):f3 )
  d26
  (center (p2 ph0):f1 			(p22 ph0):f3 )
  d26
  (center (p1 ph1):f1 			(p21 ph7):f3 )
  d26
  (center (p2 ph0):f1 			(p22 ph0):f3 )
  d26
  (p1 ph0):f1
  DELTA1
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u BLKGRAD

  go=2 ph31 cpd3:f3
  d11 do:f3 mc #0 to 2
     F1EA(calgrad(EA) & calph(ph7, +180), caldel(d0, +in0) & caldel(d17, +in17) & caldel(d29, +in29) & caldel(d30, -in30) & calph(ph5, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 1 3
ph5 = 0 
ph6 = 0 0 2 2
ph7 = 3 3 1 1
ph8 = 0 0 0 0 2 2 2 2
ph31= 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl19: f1 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;sp1: f1 channel - shaped pulse  90 degree  (H2O on resonance)
;sp2: f2 channel - shaped pulse  90 degree  (Ca on resonance)
;sp3: f2 channel - shaped pulse 180 degree  (Ca on resonance)
;sp5: f2 channel - shaped pulse 180 degree  (C=O off resonance)
;sp8: f2 channel - shaped pulse  90 degree  (Ca on resonance)
;                  for time reversed pulse
;sp9: f2 channel - shaped pulse 180 degree  (Ca on resonance)
;     sp9 requires higher selectivity - refocussing Calpha only
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p11: f1 channel -  90 degree shaped 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
;p24: f2 channel - 180 degree shaped pulse (Ca, selective)
;p26: f1 channel -  90 degree pulse at pl19
;d0: incremented delay (F1 in 2D) = d23/2-p14/2
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d17: incremented delay (F1 in 2D)                     [3 usec]
;d21: 1/(2J(NH))                                       [5.5 msec]
;d23: 1/(4J(NCa))                                      [12.4 msec]
;d26: 1/(4J'(NH))                                      [2.3 msec]
;d27: 1/(4J`(NCa))                                     [12.5 msec]
;d29: incremented delay (F1 in 2D) = d23/2-p14/2-p26-d21-4u
;d30: decremented delay (F1 in 2D) = d23/2+p14/2+d17
;cnst0: amide 15N in ppm
;cnst9: CP power in Hz
;cnst19: amide 1H in ppm
;cnst21: CO chemical shift (offset, in ppm)
;o2p: Calpha chemical shift
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/(4 * SW(N)) = (1/2) DW(N)
;nd0: 4
;in17: = (1 - k2) * in0
;in29: = in0
;in30: = k2 * in0
;ns: 8 * n
;ds: >= 8
;td1: number of experiments in F1
;FnMODE: Echo-Antiecho in F1
;cpds1: decoupling according to sequence defined by cpdprg1
;cpds3: 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 : gp 4 : gp 5
;                       30 :  80 :  8.1 :   50 :   23

;for z-only gradients:
;gpz1: 30%
;gpz2: 80%
;gpz3: 8.1%
;gpz4: 50%
;gpz5: 23%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.100
;gpnam5: SMSQ10.100

F1F2-selective HN(CA)NH (pseudo-3D version)

This pulse program is a F1F2-selective HN(CA)NH experiment to probe multiple residues as a pseudo-3D acquisition experiment.

You can download the pulse program here - f1f2hncanh3d

;f1f2hncanh3d
;
;avance-version (05/23/2017)
;pseudo-3D F1F2-selective HN(CA)NH
;2D sequence with
;   inverse correlation for triple resonance using multiple
;      inept transfer steps
;on/off resonance Ca and C=O pulses using shaped pulse
;phase sensitive (t1)
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;using semi-constant time in t1
;acquisition as pseudo-3D
;
;      F1(H) -(CP)-> F2(N) -> F3(Ca) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>


define list<frequency> fq1H=<$FQ1LIST>
define list<frequency> fq15N=<$FQ2LIST>
define pulse Pcp
"Pcp=10.8ms"
"p2=p1*2"
"p22=p21*2"
"p26=pcpd1"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"	; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"	; 15N CP power
"plw16=plw3*pow((p21/pcpd3),2)"		; 15N decoupling power
"plw19=plw1*pow((p1/pcpd1),2)"		; 1H decoupling power
"spw1=plw1*pow((p1/(p11*0.5889)),2)"	; Water-flip-back pulse power


"d11=30m"
"d21=5.5m"
"d23=12.4m"
"d26=2.3m"
"d27=12.5m"

"d10=d23/2-p14/2"
"d17=3u"
"d29=d23/2-p14/2-p26-d21-4u"
"d30=d23/2+p14/2+d17"

"in10=inf2/4"

"FACTOR2=d30*10000000*2/td1"
"in30=FACTOR2/10000000"

"if ( in30 > in10 ) { in17 = 0; } else { in17=in10-in30; }"
"if ( in30 > in10 ) { in30 = in10; }"

"in29=in10"

"l11=0"

"DELTA=d21-p16-d16"
"DELTA1=p16+d16+4u"

"spoff2=0"
"spoff3=0"
"spoff5=bf2*(cnst21/1000000)-o2"
"spoff8=0"
"spoff9=0"

"acqt0=0"
baseopt_echo

aqseq 312


1 ze
  d11 pl16:f3
2 d11 do:f3

  "fq1H.idx=(l11)"
  "fq15N.idx=(l11)"

  d1 pl0:f1
  50u UNBLKGRAD
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq1H:f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3 fq15N:f3
  (Pcp ph1):f1				(Pcp ph0):f3	; cross polarization
  4u pl19:f1 fq=0 (sfo hz):f1 fq=0 (sfo hz):f3 pl3:f3
;*******************************************************
					(p21 ph1):f3
  p16:gp1
  d16
  (ralign (p26 ph3):f1			(p21 ph4):f3 )
  d23 cpds1:f1 ph0
  (center	(p14:sp3 ph0):f2	(p22 ph0):f3 )
  d23
					(p21 ph0):f3
  4u do:f1
  (p26 ph1):f1
  p16:gp4
  d16
  (p26 ph3):f1
  4u cpds1:f1 ph0
;******************************************************* N -> Ca
		(p13:sp2 ph0):f2
  d27
		(p14:sp5 ph0):f2
  d27
	(center (p24:sp9 ph0):f2	(p22 ph0):f3 )
  d27
  		(p14:sp5 ph0):f2
  d27
  		(p13:sp8 ph0):f2
;******************************************************* Ca -> N
  4u do:f1
  (p26 ph1):f1
  p16:gp5
  d16
  (p26 ph3):f1
  4u cpds1:f1 ph0
;******************************************************* 15N chemical shift evolution
 					(p21 ph5):f3	
  d30
  		(p14:sp5 ph0):f2
  d30
					(p22 ph8):f3
  d17
  		(p14:sp5 ph0):f2
  d17
		(p14:sp3 ph0):f2
  d10
  		(p14:sp5 ph0):f2
  d29
;*******************************************************
  4u do:f1
  (p26 ph1):f1
  p16:gp2*EA
  d16 
  DELTA pl1:f1
;******************************************************* PEP
  (center (p1 ph0):f1 			(p21 ph6):f3 )
  d26
  (center (p2 ph0):f1 			(p22 ph0):f3 )
  d26
  (center (p1 ph1):f1 			(p21 ph7):f3 )
  d26
  (center (p2 ph0):f1 			(p22 ph0):f3 )
  d26
  (p1 ph0):f1
  DELTA1
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u BLKGRAD

  go=2 ph31 cpd3:f3
  d11 do:f3 mc #0 to 2
     F1QF(calclc(l11, 1))
     F2EA(calgrad(EA) & calph(ph7, +180), caldel(d10, +in10) & caldel(d17, +in17) & caldel(d29, +in29) & caldel(d30, -in30) & calph(ph5, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 1 3
ph5 = 0 
ph6 = 0 0 2 2
ph7 = 3 3 1 1
ph8 = 0 0 0 0 2 2 2 2
ph31= 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl19: f1 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;sp1: f1 channel - shaped pulse  90 degree  (H2O on resonance)
;sp2: f2 channel - shaped pulse  90 degree  (Ca on resonance)
;sp3: f2 channel - shaped pulse 180 degree  (Ca on resonance)
;sp5: f2 channel - shaped pulse 180 degree  (C=O off resonance)
;sp8: f2 channel - shaped pulse  90 degree  (Ca on resonance)
;                  for time reversed pulse
;sp9: f2 channel - shaped pulse 180 degree  (Ca on resonance)
;     sp9 requires higher selectivity - refocussing Calpha only
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p11: f1 channel -  90 degree shaped 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
;p24: f2 channel - 180 degree shaped pulse (Ca, selective)
;p26: f1 channel -  90 degree pulse at pl19
;d1 : relaxation delay; 1-5 * T1
;d10: incremented delay (F2 in 2D) = d23/2-p14/2
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d17: incremented delay (F1 in 2D)                     [3 usec]
;d21: 1/(2J(NH))                                       [5.5 msec]
;d23: 1/(4J(NCa))                                      [12.4 msec]
;d26: 1/(4J'(NH))                                      [2.3 msec]
;d27: 1/(4J`(NCa))                                     [12.5 msec]
;d29: incremented delay (F1 in 2D) = d23/2-p14/2-p26-d21-4u
;d30: decremented delay (F1 in 2D) = d23/2+p14/2+d17
;cnst9: CP power in Hz
;cnst21: CO chemical shift (offset, in ppm)
;o2p: Calpha chemical shift
;inf2: 1/SW(N) = 2 * DW(N)
;in10: 1/(4 * SW(N)) = (1/2) DW(N)
;nd10: 4
;in17: = (1 - k2) * in10
;in29: = in10
;in30: = k2 * in10
;ns: 8 * n
;ds: >= 8
;td1: number of frequencies in fq-list
;td2: number of experiments in F2
;FnMODE: QF in F1
;FnMODE: Echo-Antiecho in F2
;cpds1: decoupling according to sequence defined by cpdprg1
;cpds3: 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 : gp 4 : gp 5
;                       30 :  80 :  8.1 :   50 :   23

;for z-only gradients:
;gpz1: 30%
;gpz2: 80%
;gpz3: 8.1%
;gpz4: 50%
;gpz5: 23%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.100
;gpnam5: SMSQ10.100

F1F2-selective NOESY-[1H, 15N]-HSQC

You can download the pulse program here - f1f2nNnoesygpsi

;f1f2nNnoesygpsi
;
;avance-version (05/23/2017)
;2D F1F2(1H-15N)-selective 15N NOESY-HSQC
;2D sequence with
;   homonuclear correlation via dipolar coupling
;   dipolar coupling may be due to noe or chemical exchange.
;   H-1/X correlation via inept transfer
;      using sensitivity improvement
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;using trim pulses in inept transfer
;using f3 - channel
;
;      F1(H) -(CP)-> F2(N) -> -(CP)-> F1(H) -(NOE)-> F1(H) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>


define pulse Pcp
"Pcp=10.8ms"

"p2=p1*2"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw16=plw3*pow((p21/pcpd3),2)"			; 15N decoupling power
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power

"cnst5=sfo1*cnst19-o1*1000000"
"cnst6=sfo3*cnst0-o3*1000000"

"d0=3u"
"d11=30m"
"d26=1s/(cnst4*4)"

"in0=inf1/2"

"DELTA=d8-p16-d16"

#   ifdef LABEL_CN
"DELTA1=p16+d16+larger(p2,p8)+d0*2"
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power
#   else
"DELTA1=p16+d16+p2+d0*2"
#   endif /*LABEL_CN*/

"DELTA2=d26-p19-d16"
"DELTA3=d26-p16-d16"
"DELTA4=p16+d16+4u"

"acqt0=0"
baseopt_echo


1 ze
  d11 pl16:f3
2 d11 do:f3
3 d1 pl0:f1
  50u UNBLKGRAD
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq=cnst5 (sfo hz):f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3 fq=cnst6 (sfo hz):f3
  (Pcp ph1):f1			(Pcp ph0):f3		; cross polarization
  4u pl3:f3
                                (p21 ph1):f3
  p16:gp6
  d16
                                (p21 ph3):f3
  4u pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl1:f1 fq=0 (sfo hz):f1 fq=0 (sfo hz):f3 pl3:f3
;*******************************************************
  (p1 ph1):f1
  DELTA
  p16:gp7
  d16
  (p1 ph0):f1
  d26
  (center (p2 ph0):f1		(p22 ph0):f3 )
  d26
  (p1 ph1):f1
  p16:gp1
  d16
				(p21 ph5):f3
;*******************************************************  15N chemical shift evolution
  d0 

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p8:sp13 ph0):f2 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d0
;*******************************************************  PEP
  p16:gp2*EA
  d16
				(p22 ph0):f3
  DELTA1
  (center (p1 ph0):f1		(p21 ph0):f3 )
  p19:gp4
  d16
  DELTA2
  (center (p2 ph0):f1		(p22 ph0):f3 )
  DELTA2
  p19:gp4
  d16
  (center (p1 ph1):f1		(p21 ph4):f3 )
  p16:gp5
  d16
  DELTA3
  (center (p2 ph0):f1		(p22 ph0):f3 )
  DELTA3
  p16:gp5
  d16
  (p1 ph0):f1
  DELTA4
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u BLKGRAD

  go=2 ph31 cpd3:f3
  d1 do:f3 mc #0 to 3
     F1EA(calgrad(EA) & calph(ph4, +180), caldel(d0, +in0) & calph(ph5, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 1 1 1 1 3 3 3 3
ph5 = 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph7 = 0 2
ph8 = 0 0 2 2
ph31= 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree shaped pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;d0 : incremented delay (F1 in 2D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d8 : mixing time
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d26: 1/(4J(NH))
;cnst0: amide 15N in ppm
;cnst4: = J(NH)
;cnst9: CP power in Hz
;cnst19: amide 1H in ppm
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/(2 * SW(N)) = DW(N)
;nd0: 2
;ns: 8 * n
;ds: >= 16
;td1: number of experiments in F1
;FnMODE: Echo-Antiecho in F1
;cpd3: decoupling according to sequence defined by cpdprg3
;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 :   80 :  8.1 :    5 :   -2 :    6 :   50

;for z-only gradients:
;gpz1:  30%
;gpz2:  80%
;gpz3: 8.1%
;gpz4:   5%
;gpz5:  -2%
;gpz6:   6%
;gpz7:  50%

;use gradient files:  
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.50
;gpnam5: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100 

                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end

F1F2-selective NOESY-[1H, 15N]-HSQC (pseudo-3D version)

You can download the pulse program here - f1f2nNnoesygpsi3d

;f1f2nNnoesygpsi3d.2
;
;avance-version (05/23/2017)
;F1F2(1H-15N)-selective 15N NOESY-HSQC
;2D sequence with
;   homonuclear correlation via dipolar coupling
;   dipolar coupling may be due to noe or chemical exchange.
;   H-1/X correlation via inept transfer
;      using sensitivity improvement
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;using trim pulses in inept transfer
;using f3 - channel
;acquisition as pseudo-3D
;
;      F1(H) -(CP)-> F2(N) -> -(CP)-> F1(H) -(NOE)-> F1(H) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=


#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>


define list<frequency> fq1H=<$FQ1LIST>
define list<frequency> fq15N=<$FQ2LIST>
define pulse Pcp
"Pcp=10.8ms"

"p2=p1*2"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw16=plw3*pow((p21/pcpd3),2)"			; 15N decoupling power
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power


"d10=3u"
"d11=30m"
"d26=1s/(cnst4*4)"

"in10=inf2/2"

"DELTA=d8-p16-d16"

#   ifdef LABEL_CN
"DELTA1=p16+d16+larger(p2,p8)+d10*2"
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power
#   else
"DELTA1=p16+d16+p2+d10*2"
#   endif /*LABEL_CN*/

"DELTA2=d26-p19-d16"
"DELTA3=d26-p16-d16"
"DELTA4=p16+d16+4u"

"acqt0=0"
baseopt_echo

aqseq 312


1 ze
  d11 pl16:f3 st0
2 6m
3 6m
4 d11 do:f3
  d1 pl0:f1

  50u UNBLKGRAD
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq1H:f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3 fq15N:f3
  (Pcp ph1):f1			(Pcp ph0):f3		; cross polarization
  4u pl3:f3
                                (p21 ph1):f3
  p16:gp6
  d16
                                (p21 ph3):f3
  4u pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl1:f1 fq=0 (sfo hz):f1 fq=0 (sfo hz):f3 pl3:f3
;*******************************************************
  (p1 ph1):f1
  DELTA
  p16:gp7
  d16
  (p1 ph0):f1
  d26
  (center (p2 ph0):f1		(p22 ph0):f3 )
  d26
  (p1 ph1):f1
  p16:gp1
  d16
				(p21 ph5):f3
;*******************************************************  15N chemical shift evolution
  d10 

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p8:sp13 ph0):f2 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d10
;*******************************************************
  p16:gp2*EA
  d16
				(p22 ph0):f3
  DELTA1
  (center (p1 ph0):f1		(p21 ph0):f3 )
  p19:gp4
  d16
  DELTA2
  (center (p2 ph0):f1		(p22 ph0):f3 )
  DELTA2
  p19:gp4
  d16
  (center (p1 ph1):f1		(p21 ph4):f3 )
  p16:gp5
  d16
  DELTA3
  (center (p2 ph0):f1		(p22 ph0):f3 )
  DELTA3
  p16:gp5
  d16
  (p1 ph0):f1
  DELTA4
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u BLKGRAD

  goscnp ph31 cpd3:f3

  3m do:f3
  3m st fq1H.inc fq15N.inc
  lo to 3 times nbl

  3m fq1H.res fq15N.res
  3m ipp4 ipp5 ipp7 ipp8 ipp31
  lo to 4 times ns

  d11 mc #0 to 4
     F1QF()
     F2EA(calgrad(EA) & calph(ph4, +180) & exec(rppall), caldel(d10, +in10) & calph(ph5, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 1 1 1 1 3 3 3 3
ph5 = 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph7 = 0 2
ph8 = 0 0 2 2
ph31= 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree shaped pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;d1 : relaxation delay; 1-5 * T1
;d8 : mixing time
;d10: incremented delay (F1 in 2D)                     [3 usec]
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d26: 1/(4J(YH))
;cnst4: = J(YH)
;cnst9: CP power in Hz
;inf2: 1/SW(X) = 2 * DW(X)
;in10: 1/(2 * SW(X)) = DW(X)
;nd10: 2
;ns: 8 * n
;ds: >= 16
;td1: number of frequencies in fq-list
;td2: number of experiments in F2
;FnMODE: QF in F1
;FnMODE: Echo-Antiecho in F2
;cpd3: decoupling according to sequence defined by cpdprg3
;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 :   80 :  8.1 :    5 :   -2 :    6 :   50

;for z-only gradients:
;gpz1:  30%
;gpz2:  80%
;gpz3: 8.1%
;gpz4:   5%
;gpz5:  -2%
;gpz6:   6%
;gpz7:  50%

;use gradient files:  
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.50
;gpnam5: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100 

                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end

F1F2-selective NOESY-[1H, 13C]-HSQC

You can download the pulse program here - f1f2nCnoesygp

;f1f2nCnoesygp
;
;avance-version (05/23/2017)
;2D F1F2(1H-15N)-selective 13C NOESY-HSQC
;2D sequence with
;   homonuclear correlation via dipolar coupling
;   dipolar coupling may be due to noe or chemical exchange.
;   H-1/X correlation via inept transfer
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;
;      F1(H) -(CP)-> F2(N) -> -(CP)-> F1(H) -(NOE)-> F1(H) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>


define pulse Pcp
"Pcp=10.8ms"

"p2=p1*2"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw12=plw2*pow((p3/pcpd2),2)"			; 13C decoupling power
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power
"spw7=plw2*pow((p3/((p24/2)*0.02558317)),2)"	; 13C 180 adiabatic pulse power
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power

"cnst5=sfo1*cnst19-o1*1000000"
"cnst6=sfo3*cnst0-o3*1000000"

"d0=3u"
"d11=30m"
"d4=1s/(cnst2*4)"

"in0=inf1/2"

"DELTA=d8-p16-d16"

#   ifdef LABEL_CN
"DELTA1=p16+d16+larger(p2,p22)+d0*2"
#   else
"DELTA1=p16+d16+p2+d0*2"
#   endif /*LABEL_CN*/

"DELTA2=d4-larger(p2,p8)/2"
"DELTA3=d4-p16-larger(p2,p8)/2-4u"

"acqt0=0"
baseopt_echo


1 ze
  d11 pl12:f2
2 d11 do:f2
3 d1 pl0:f1
  50u UNBLKGRAD
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq=cnst5 (sfo hz):f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3 fq=cnst6 (sfo hz):f3
  (Pcp ph1):f1			(Pcp ph0):f3		; cross polarization
  4u pl3:f3
                                (p21 ph1):f3
  p16:gp6
  d16 
                                (p21 ph3):f3
  4u pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl1:f1 fq=0 (sfo hz):f1 fq=0 (sfo hz):f3 pl2:f2
;*******************************************************
  (p1 ph1):f1
  DELTA
  p16:gp7
  d16
  (p1 ph0):f1
  DELTA2 pl0:f2
  (center (p2 ph0):f1		(p8:sp13 ph6):f2 )
  DELTA2
  (p28 ph0):f1
  4u pl2:f2
  (p1 ph1):f1			(p3 ph5):f2
;*******************************************************  13C chemical shift evolution
  d0 

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p22 ph0):f3 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d0
;*******************************************************  reverse INEPT
  p16:gp2*EA
  d16 pl0:f2
  4u
				(p24:sp7 ph4):f2
  4u
  DELTA1 pl2:f2
  (ralign (p1 ph0):f1		(p3 ph4):f2 )
  DELTA2 pl0:f2
  (center (p2 ph0):f1		(p8:sp13 ph0):f2 )
  p16:gp3
  DELTA3 pl12:f2
  4u BLKGRAD

  go=2 ph31 cpd2:f2
  d1 do:f2 mc #0 to 3 
     F1EA(calgrad(EA), caldel(d0, +in0) & calph(ph5, +180) & calph(ph6, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 0 0 0 0 2 2 2 2
ph5 = 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph6 = 0
ph7 = 0 2
ph8 = 0 0 2 2
ph31= 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0

;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 CP
;pl12: f2 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp7: f2 channel - shaped pulse 180 degree for refocussing
;spnam7: Crp60comp.4
;sp13 : f2 channel - shaped pulse 180 degree (adiabatic) 
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;	500 usec Crp60,0.5,20.1
;p11: f1 channel -  90 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 for refocussing
;	2 msec Crp60comp.4
;p28: f1 channel - trim pulse
;d0 : incremented delay (F1 in 2D)                     [3 usec]
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(YH))
;d8 : mixing time
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;cnst0: amide 15N in ppm
;cnst2: = J(CH)
;cnst9: CP power in Hz
;cnst19: amide 1H in ppm
;inf1: 1/SW(C) = 2 * DW(C)
;in0: 1/(2 * SW(C)) = DW(C)
;nd0: 2
;ns: 8 * n
;ds: >= 16
;td1: number of experiments in F1
;FnMODE: Echo-Antiecho in F1
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 2 : gp 3 : gp 6 : gp 7
;                         80 : 20.1 :    6 :   50

;for z-only gradients:
;gpz2: 80%
;gpz3: 20.1%
;gpz6: 6%
;gpz7: 50%

;use gradient files:  
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100
                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end

F1F2-selective NOESY-[1H, 13C]-HSQC (pseudo-3D version)

You can download the pulse program here - f1f2nCnoesygp

;f1f2nCnoesygp3d
;
;avance-version (05/23/2017)
;2D F1F2(1H-15N)-selective 13C NOESY-HSQC
;2D sequence with
;   homonuclear correlation via dipolar coupling
;   dipolar coupling may be due to noe or chemical exchange.
;   H-1/X correlation via inept transfer
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;acquisition as pseudo-3D
;
;      F1(H) -(CP)-> F2(N) -> -(CP)-> F1(H) -(NOE)-> F1(H) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>


define list<frequency> fq1H=<$FQ1LIST>
define list<frequency> fq15N=<$FQ2LIST>
define pulse Pcp
"Pcp=10.8ms"

"p2=p1*2"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw12=plw2*pow((p3/pcpd2),2)"			; 13C decoupling power
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power
"spw7=plw2*pow((p3/((p24/2)*0.02558317)),2)"	; 13C 180 adiabatic pulse power
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power


"d10=3u"
"d11=30m"
"d4=1s/(cnst2*4)"

"in10=inf2/2"

"l11=0"

"DELTA=d8-p16-d16"

#   ifdef LABEL_CN
"DELTA1=p16+d16+larger(p2,p22)+d10*2"
#   else
"DELTA1=p16+d16+p2+d10*2"
#   endif /*LABEL_CN*/

"DELTA2=d4-larger(p2,p8)/2"
"DELTA3=d4-p16-larger(p2,p8)/2-4u"

"acqt0=0"
baseopt_echo

aqseq 312


1 ze
  d11 pl12:f2
2 d11 do:f2

  "fq1H.idx=(l11)"
  "fq15N.idx=(l11)"

  d1 pl0:f1
  50u UNBLKGRAD
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq1H:f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3 fq15N:f3
  (Pcp ph1):f1			(Pcp ph0):f3		; cross polarization
  4u pl3:f3
                                (p21 ph1):f3
  p16:gp6
  d16 
                                (p21 ph3):f3
  4u pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl1:f1 fq=0 (sfo hz):f1 fq=0 (sfo hz):f3 pl2:f2
;*******************************************************
  (p1 ph1):f1
  DELTA
  p16:gp7
  d16
  (p1 ph0):f1
  DELTA2 pl0:f2
  (center (p2 ph0):f1		(p8:sp13 ph6):f2 )
  DELTA2
  (p28 ph0):f1
  4u pl2:f2
  (p1 ph1):f1			(p3 ph5):f2
;*******************************************************  13C chemical shift evolution
  d10 

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p22 ph0):f3 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d10
;*******************************************************  reverse INEPT
  p16:gp2*EA
  d16 pl0:f2
  4u
				(p24:sp7 ph4):f2
  4u
  DELTA1 pl2:f2
  (ralign (p1 ph0):f1		(p3 ph4):f2 )
  DELTA2 pl0:f2
  (center (p2 ph0):f1		(p8:sp13 ph0):f2 )
  p16:gp3
  DELTA3 pl12:f2
  4u BLKGRAD

  go=2 ph31 cpd2:f2
  d11 do:f2 mc #0 to 2
     F1QF(calclc(l11, 1))
     F2EA(calgrad(EA), caldel(d10, +in10) & calph(ph5, +180) & calph(ph6, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 0 0 0 0 2 2 2 2
ph5 = 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2
ph6 = 0
ph7 = 0 2
ph8 = 0 0 2 2
ph31= 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0

;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 CP
;pl12: f2 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp7: f2 channel - shaped pulse 180 degree for refocussing
;spnam7: Crp60comp.4
;sp13 : f2 channel - shaped pulse 180 degree (adiabatic) 
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;	500 usec Crp60,0.5,20.1
;p11: f1 channel -  90 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 for refocussing
;	2 msec Crp60comp.4
;p28: f1 channel - trim pulse
;d1 : relaxation delay; 1-5 * T1
;d4 : 1/(4J(YH))
;d8 : mixing time
;d10 : incremented delay (F1 in 2D)                     [3 usec]
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;cnst2: = J(CH)
;cnst9: CP power in Hz
;inf2: 1/SW(C) = 2 * DW(C)
;in10: 1/(2 * SW(C)) = DW(C)
;nd10: 2
;ns: 8 * n
;ds: >= 16
;td1: number of frequencies in fq-list
;td2: number of experiments in F2
;FnMODE: QF in F1
;FnMODE: Echo-Antiecho in F2
;cpd2: decoupling according to sequence defined by cpdprg2
;pcpd2: f2 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:    gp 2 : gp 3 : gp 6 : gp 7
;                         80 : 20.1 :    6 :   50

;for z-only gradients:
;gpz2: 80%
;gpz3: 20.1%
;gpz6: 6%
;gpz7: 50%

;use gradient files:  
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100
                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end

F1F2-selective [15N]-R1ρ relaxation dispersion

You can download the pulse program here - f1f2Nr1rho

;f1f2Nr1rho
;
;avance-version (05/23/2017)
;2D F1F2(1H-15N)-selective N15 R1rho relaxation dispersion
;   using sensitivity improvement
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;using f3 - channel
;
;      F1(H) -(CP)-> F2(N) -> spin-lock(N) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>

define pulse Pcp
define delay Teq
"Pcp=10.8ms"
"Teq=5m"

"cnst2=3900"					; 1H decoupling power [Hz]

"p2=p1*2"
"p5=(PI/2-atan(abs(cnst19-o1/bf1)*bf1/cnst2))*p1/(PI/2)"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw19=plw1*pow(p1/(250000/cnst2),2)"		; 1H decoupling power
"plw16=plw3*pow((p21/pcpd3),2)"			; 15N decoupling power
"cnst10=250000/p21*sqrt(plw3/plw25)"
"plw26=plw3*pow(p21/(250000/(cnst11-cnst10)),2)"; 15N heating compensation
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power

"cnst5=bf1*cnst19-o1*1000000"

"d0=3u"
"d11=30m"
"d25=p25"
"d26=1s/(cnst4*4)"

"in0=inf1/2"

"DELTA=d26-p16-d16"

#   ifdef LABEL_CN
"DELTA1=d26-p16-d16-larger(p2,p8)-d0*2-8u"
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power
#   else
"DELTA1=d26-p16-d16-p2-d0*2-8u"
#   endif /*LABEL_CN*/

"DELTA2=d26-p19-d16"
"DELTA3=d26-p16-d16"
"DELTA4=p16+d16+4u"
"DELTA5=Teq-p16-d16-p5-8u"

"acqt0=0"
baseopt_echo


1 ze
  d11 pl16:f3
2 d11 do:f3
  d1 pl19:f1 fq=300 (bf ppm):f1 pl3:f3
;*******************************************************  1H & 15N heating compensation
  if "l0==0"
  {
	4u cw:f1
  }
  else
  {
	4u
  }
				(p21 ph3):f3
  4u pl26:f3
				(p25 ph0):f3
  4u do:f1
;*******************************************************  end heating compensation
  50u UNBLKGRAD
  p16:gp6
  d16 pl0:f1 fq=0 (sfo hz):f1
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq=cnst5 (sfo hz):f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl1:f1 pl3:f3
				(p21 ph1):f3
  p16:gp1
  d16
  (p5 ph1):f1
  4u pl19:f1
  4u cw:f1 ph0
  DELTA5
  				(p23 ph1):f3
;*******************************************************  Begin spinlock
  4u pl25:f3
  if "l0==0" goto 5
				(p25 ph0):f3
;*******************************************************  End spinlock
5 4u pl3:f3
				(p23 ph3):f3
  DELTA5
  4u do:f1
  4u pl1:f1
  (p5 ph3):f1
  p16:gp7
  d16 fq=0 (sfo hz):f1
				(p21 ph5):f3
;*******************************************************  15N chemical shift evolution + INEPT
  p16:gp2*-1*EA
  d16 pl1:f1
  DELTA
				(p22 ph4):f3
  d0 gron0
  4u groff

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p8:sp13 ph0):f2 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d0 gron0*-1
  4u groff
  p16:gp2*EA
  d16
  DELTA1
;*******************************************************  PEP
  (center (p1 ph2):f1		(p21 ph0):f3 )
  p19:gp4
  d16
  DELTA2
  (center (p2 ph3):f1		(p22 ph0):f3 )
  DELTA2
  p19:gp4
  d16
  (center (p1 ph3):f1		(p21 ph6):f3 )
  p16:gp5
  d16
  DELTA3
  (center (p2 ph3):f1		(p22 ph3):f3 )
  DELTA3
  p16:gp5
  d16
  (p1 ph0):f1
  DELTA4
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u  BLKGRAD

  go=2 ph31 cpds3:f3
  d11 do:f3 mc #0 to 2
     F1EA(calgrad(EA) & calph(ph6, +180), caldel(d0, +in0) & calph(ph5, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 0 0 0 0 2 2 2 2
ph5 = 1
ph6 = 3
ph7 = 1 3
ph8 = 0 0 2 2
ph31= 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl19: f1 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;pl25: f3 channel - power level for R1rho spinlock (valist)
;pl26: f3 channel - power level for heat compensation (valist)
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p5 : f1 channel -   X degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree selective pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p23: f3 channel -   X degree high power pulse
;p25: f3 channel - R1rho spinlock length
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d26: 1/(4J(YH))
;l0: 0 for reference, non 0 for spin lock
;cnst4: = J(YH)
;cnst9: CP power in Hz
;cnst10: spin-lock power in Hz
;cnst11: highest spin-lock power in Hz
;cnst19: amide 1H in ppm
;o3p: amide 15N in ppm
;inf1: 1/SW(X) = 2 * DW(X)
;in0: 1/(2 * SW(X)) = DW(X)
;nd0: 2
;ns: 4 * n
;ds: >= 16
;td1: number of experiments in F1
;FnMODE: Echo-Antiecho in F1
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:  gp 0 :gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : gp 6 : gp 7
;                      0.2 :  30 :   80 : 16.2 :    5 :   -2 :    6 :  -60

;for z-only gradients:
;gpz0: 0.2%
;gpz1:  30%
;gpz2:  80%
;gpz3:16.2%
;gpz4:   5%
;gpz5:  -2%
;gpz6:   6%
;gpz7: -60%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.50
;gpnam5: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100

                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end

F1F2-selective [15N]-R1ρ relaxation dispersion (pseudo-3D version)

You can download the pulse program here - f1f2Nr1rho3d

;f1f2Nr1rho3d
;
;avance-version (05/23/2017)
;pseudo-3D F1F2(1H-15N)-selective N15 R1rho relaxation dispersion
;   using sensitivity improvement
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;using f3 - channel
;acquisition as pseudo-3D
;
;      F1(H) -(CP)-> F2(N) -> spin-lock(N) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
;
;ignore the warning regarding va15N



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>

define list<power> va15N=<$VALIST>

define pulse Pcp
define delay Teq
"Pcp=10.8ms"
"Teq=5m"

"cnst2=3900"					; 1H decoupling power [Hz]

"p2=p1*2"
"p5=(PI/2-atan(abs(cnst19-o1/bf1)*bf1/cnst2))*p1/(PI/2)"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw19=plw1*pow(p1/(250000/cnst2),2)"		; 1H decoupling power
"plw16=plw3*pow((p21/pcpd3),2)"			; 15N decoupling power
;"cnst10=250000/p21*sqrt(plw3/plw25)"
;"plw26=plw3*pow(p21/(250000/(cnst11-cnst10)),2)"; 15N heating compensation
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power

"cnst5=bf1*cnst19-o1*1000000"

"d10=3u"
"d11=30m"
"d25=p25"
"d26=1s/(cnst4*4)"

"in10=inf2/2"

"l11=0"

"DELTA=d26-p16-d16"

#   ifdef LABEL_CN
"DELTA1=d26-p16-d16-larger(p2,p8)-d10*2-8u"
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power
#   else
"DELTA1=d26-p16-d16-p2-d10*2-8u"
#   endif /*LABEL_CN*/

"DELTA2=d26-p19-d16"
"DELTA3=d26-p16-d16"
"DELTA4=p16+d16+4u"
"DELTA5=Teq-p16-d16-p5-8u"

"acqt0=0"
baseopt_echo

aqseq 312


1 ze
  d11 pl16:f3
2 d11 do:f3

  "va15N.idx=(l11*2)"

  d1 pl19:f1 fq=300 (bf ppm):f1 pl3:f3 va15N.inc
;*******************************************************  1H & 15N heating compensation
  if "va15N==1000"
  {
	4u cw:f1 va15N.dec
  }
  else
  {
	4u va15N.dec
  }
				(p21 ph3):f3
  4u va15N:f3 va15N.inc
				(p25 ph0):f3
  4u do:f1
;*******************************************************  end heating compensation
  50u UNBLKGRAD
  p16:gp6
  d16 pl0:f1 fq=0 (sfo hz):f1
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq=cnst5 (sfo hz):f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl1:f1 pl3:f3
				(p21 ph1):f3
  p16:gp1
  d16
  (p5 ph1):f1
  4u pl19:f1
  4u cw:f1 ph0
  DELTA5
  				(p23 ph1):f3
;*******************************************************  Begin spinlock
  4u va15N:f3
  if "va15N==1000" goto 5
				(p25 ph0):f3
;*******************************************************  End spinlock
5 4u pl3:f3
				(p23 ph3):f3
  DELTA5
  4u do:f1
  4u pl1:f1
  (p5 ph3):f1
  p16:gp7
  d16 fq=0 (sfo hz):f1
				(p21 ph5):f3
;*******************************************************  15N chemical shift evolution + INEPT
  p16:gp2*-1*EA
  d16 pl1:f1
  DELTA
				(p22 ph4):f3
  d10 gron0
  4u groff

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p8:sp13 ph0):f2 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d10 gron0*-1
  4u groff
  p16:gp2*EA
  d16
  DELTA1
;*******************************************************  PEP
  (center (p1 ph2):f1		(p21 ph0):f3 )
  p19:gp4
  d16
  DELTA2
  (center (p2 ph3):f1		(p22 ph0):f3 )
  DELTA2
  p19:gp4
  d16
  (center (p1 ph3):f1		(p21 ph6):f3 )
  p16:gp5
  d16
  DELTA3
  (center (p2 ph3):f1		(p22 ph3):f3 )
  DELTA3
  p16:gp5
  d16
  (p1 ph0):f1
  DELTA4
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u  BLKGRAD

  go=2 ph31 cpds3:f3
  d11 mc #0 to 2
     F1QF(calclc(l11, 1))
     F2EA(calgrad(EA) & calph(ph6, +180), caldel(d10, +in10) & calph(ph5, +180) & calph(ph31, +180))

exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 0 0 0 0 2 2 2 2
ph5 = 1
ph6 = 3
ph7 = 1 3
ph8 = 0 0 2 2
ph31= 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl19: f1 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;pl25: f3 channel - power level for R1rho spinlock (valist)
;pl26: f3 channel - power level for heat compensation (valist)
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p5 : f1 channel -   X degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree selective pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p23: f3 channel -   X degree high power pulse
;p25: f3 channel - R1rho spinlock length
;d26: 1/(4J(YH))
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;cnst4: = J(YH)
;cnst9: CP power in Hz
;cnst10: spin-lock power in Hz
;cnst11: highest spin-lock power in Hz
;cnst19: amide 1H in ppm
;inf2: 1/SW(X) = 2 * DW(X)
;in10: 1/(2 * SW(X)) = DW(X)
;nd10: 2
;o3p: amide 15N in ppm
;nbl: number of powers in valist
;ns: 4 * n
;ds: >= 16
;td1: (number of powers)/2 in valist
;td2: number of experiments in F2
;FnMODE: QF in F1
;FnMODE: Echo-Antiecho in F2
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:  gp 0 :gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : gp 6 : gp 7
;                      0.2 :  30 :   80 : 16.2 :    5 :   -2 :    6 :  -60

;for z-only gradients:
;gpz0: 0.2%
;gpz1:  30%
;gpz2:  80%
;gpz3:16.2%
;gpz4:   5%
;gpz5:  -2%
;gpz6:   6%
;gpz7: -60%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.50
;gpnam5: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100

                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end

F1F2-selective [15N]-R1ρ relaxation dispersion (pseudo-4D version)

You can download the pulse program here - f1f2Nonr1rho4d

;f1f2Nonr1rho4d
;
;avance-version (07/15/2017)
;pseudo-3D F1F2(1H-15N)-selective N15 on-resonance R1rho relaxation dispersion
;   using sensitivity improvement
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;using f3 - channel
;acquisition as pseudo-4D
;
;      F1(H) -(CP)-> F2(N) -> spin-lock(N) -> F2(N,t1) -> F1(H,t2)
;
;E. Walinda, D. Morimoto, M. Shirakawa, and K. Sugase, 
;  J. Biomol. NMR, 2017, 68 (1), 41-52
;
;$CLASS=HighRes
;$DIM=3D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
;
;ignore the warning regarding va15N



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>

define list<power> va15N=<$VALIST>
define list<frequency> fq1H=<$FQ1LIST>
define list<frequency> fq15N=<$FQ2LIST>
define list<pulse> vp1H=<$VPLIST>

define pulse Pcp
define delay Teq
"Pcp=10.8ms"
"Teq=5m"

"cnst2=3900"					; 1H decoupling power [Hz]

"p2=p1*2"
;"p5=(PI/2-atan(abs(cnst19-o1/bf1)*bf1/cnst2))*p1/(PI/2)"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw19=plw1*pow(p1/(250000/cnst2),2)"		; 1H decoupling power
"plw16=plw3*pow((p21/pcpd3),2)"			; 15N decoupling power
;"cnst10=250000/p21*sqrt(plw3/plw25)"
;"plw26=plw3*pow(p21/(250000/(cnst11-cnst10)),2)"; 15N heating compensation
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power

;"cnst5=bf1*cnst19-o1*1000000"

"d10=3u"
"d11=30m"
"d26=1s/(cnst4*4)"

"in10=inf3/2"

"l11=0"
"l12=0"

"DELTA=d26-p16-d16"

#   ifdef LABEL_CN
"DELTA1=d26-p16-d16-larger(p2,p8)-d10*2-8u"
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power
#   else
"DELTA1=d26-p16-d16-p2-d10*2-8u"
#   endif /*LABEL_CN*/

"DELTA2=d26-p19-d16"
"DELTA3=d26-p16-d16"
"DELTA4=p16+d16+4u"
"DELTA5=Teq-p16-d16-vp1H-8u"

"acqt0=0"
baseopt_echo

;aqseq 312


1 ze
  d11 pl16:f3
2 d11 do:f3

  "fq1H.idx=(l12)"
  "fq15N.idx=(l12)"
  "vp1H.idx=(l12)"

  "va15N.idx=(l11*2)"

  d1 pl19:f1 fq=300 (bf ppm):f1 pl3:f3 fq15N:f3 va15N.inc
;*******************************************************  1H & 15N heating compensation
  if "va15N==1000"
  {
	4u cw:f1 va15N.dec
  }
  else
  {
	4u va15N.dec
  }
				(p21 ph3):f3
  4u va15N:f3 va15N.inc
				(p25 ph0):f3
  4u do:f1
;*******************************************************  end heating compensation
  50u UNBLKGRAD
  p16:gp6
  d16 pl0:f1 fq=0 (sfo hz):f1
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq1H:f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl1:f1 pl3:f3
				(p21 ph1):f3
  p16:gp1
  d16
  (vp1H ph1):f1
  4u pl19:f1
  4u cw:f1 ph0
  DELTA5
  				(p21 ph1):f3
;*******************************************************  Begin spinlock
  4u va15N:f3
  if "va15N==1000" goto 5
				(p25 ph0):f3
;*******************************************************  End spinlock
5 4u pl3:f3
				(p21 ph3):f3
  DELTA5
  4u do:f1
  4u pl1:f1
  (vp1H ph3):f1
  p16:gp7
  d16 fq=0 (sfo hz):f1
				(p21 ph5):f3
;*******************************************************  15N chemical shift evolution + INEPT
  p16:gp2*-1*EA
  d16 pl1:f1
  DELTA
				(p22 ph4):f3
  d10 gron0
  4u groff

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p8:sp13 ph0):f2 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d10 gron0*-1
  4u groff
  p16:gp2*EA
  d16
  DELTA1
;*******************************************************  PEP
  (center (p1 ph2):f1		(p21 ph0):f3 )
  p19:gp4
  d16
  DELTA2
  (center (p2 ph3):f1		(p22 ph0):f3 )
  DELTA2
  p19:gp4
  d16
  (center (p1 ph3):f1		(p21 ph6):f3 )
  p16:gp5
  d16
  DELTA3
  (center (p2 ph3):f1		(p22 ph3):f3 )
  DELTA3
  p16:gp5
  d16
  (p1 ph0):f1
  DELTA4
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u  BLKGRAD

  go=2 ph31 cpds3:f3
  d11 mc #0 to 2
     F1QF(calclc(l12, 1))
     F2QF(calclc(l11, 1))
     F3EA(calgrad(EA) & calph(ph6, +180), caldel(d10, +in10) & calph(ph5, +180) & calph(ph31, +180))

exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 0 0 0 0 2 2 2 2
ph5 = 1
ph6 = 3
ph7 = 1 3
ph8 = 0 0 2 2
ph31= 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl19: f1 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;pl25: f3 channel - power level for R1rho spinlock (valist)
;pl26: f3 channel - power level for heat compensation (valist)
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree selective pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel - 180 degree high power pulse
;p25: f3 channel - R1rho spinlock length
;d1 : relaxation delay; 1-5 * T1
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d26: 1/(4J(YH))
;cnst4: = J(YH)
;cnst9: CP power in Hz
;cnst10: spin-lock power in Hz
;cnst11: highest spin-lock power in Hz
;cnst19: amide 1H in ppm
;inf3: 1/SW(X) = 2 * DW(X)
;in10: 1/(2 * SW(X)) = DW(X)
;nd10: 2
;o3p: amide 15N in ppm
;nbl: number of powers in valist
;ns: 4 * n
;ds: >= 16
;td1: number of frequencies in fq-list
;td2: (number of powers)/2 in valist
;td3: number of experiments in F3
;FnMODE: QF in F1
;FnMODE: QF in F2
;FnMODE: Echo-Antiecho in F3
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:  gp 0 :gp 1 : gp 2 : gp 3 : gp 4 : gp 5 : gp 6 : gp 7
;                      0.2 :  30 :   80 : 16.2 :    5 :   -2 :    6 :  -60

;for z-only gradients:
;gpz0: 0.2%
;gpz1:  30%
;gpz2:  80%
;gpz3:16.2%
;gpz4:   5%
;gpz5:  -2%
;gpz6:   6%
;gpz7: -60%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.50
;gpnam5: SMSQ10.100
;gpnam6: SMSQ10.100
;gpnam7: SMSQ10.100

                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end

F1F2-selective [15N]-ZZ exchange

You can download the pulse program here - f1f2Nzzhsqcgpsi

;f1f2Nzzhsqcgpsi
;
;avance-version (02/04/2020)
;2D H-1/N-15 cross polarization
;   using sensitivity improvement
;phase sensitive using Echo/Antiecho-TPPI gradient selection (t1)
;with decoupling during acquisition
;ZZ-exchange
;
;      F2(H) -(CP)-> F1(N) -(ZZ-exchange)-> F1(N,t1) -> F2(H,t2)
;
;M. Nishizawa, E. Walinda, D. Morimoto, and K. Sugase, 
;
;
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=



#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>


define pulse Pcp
"Pcp=10.8ms"

"p2=p1*2"
"p22=p21*2"

"plw0=0"
"plw10=plw1*pow(p1/(250000/cnst9),2)"		; 1H CP power
"plw22=plw3*pow(p21/(250000/cnst9),2)"		; 15N CP power
"plw16=plw3*pow((p21/pcpd3),2)"			; 15N decoupling power
"spw1=plw1*pow((p1/(p11*0.5889)),2)"		; Water-flip-back pulse power
"spw12=plw1*pow((p1/(p12*0.07981016/2)),2)"     ; amide proton selective 180 pulse

"cnst5=sfo1*cnst19-o1*1000000"

"d0=3u"
"d11=30m"
"d26=1s/(cnst4*4)"
"d31=10ms*l2+p16+d16"

"in0=inf1/2"

"DELTA=d26-p16-d16"

#   ifdef LABEL_CN
"DELTA1=d26-p16-d16-larger(p2,p8)-d0*2-8u"
"spw13=plw2*pow((p3/((p8/2)*0.1023327)),2)"	; 13C 180 adiabatic pulse power
#   else
"DELTA1=d26-p16-d16-p2-d0*2-8u"
#   endif /*LABEL_CN*/

"DELTA2=d26-p19-d16"
"DELTA3=d26-p16-d16"
"DELTA4=p16+d16+4u"
"TAU=2.5m-p12/2"


"acqt0=0"
baseopt_echo


1 ze
  d11 pl16:f3
2 d11 do:f3
  d1 pl0:f1
  50u UNBLKGRAD
  (p11:sp1 ph2):f1
  4u
  4u pl1:f1 fq=cnst5 (sfo hz):f1
  (p1 ph0):f1
  4u pl10:f1 pl22:f3
  (Pcp ph7):f1			(Pcp ph8):f3		; cross polarization
  4u pl3:f3
				(p21 ph1):f3

;******************************************** ZZ-exchange
  p16:gp1
  d16 pl0:f1 fq=0 (sfo hz):f1
  if "l2==0" goto 4
3 TAU
  (p12:sp12 ph0):f1
  TAU
  TAU
  (p12:sp12 ph0):f1
  TAU
  lo to 3 times l2
4				(p21 ph5):f3
;*******************************************************  15N chemical shift evolution + INEPT
  p16:gp2*-1*EA
  d16 pl1:f1
  DELTA
				(p22 ph4):f3
  d0 gron0*-1
  4u groff

#   ifdef LABEL_CN
  (center (p2 ph0):f1				(p8:sp13 ph0):f2 )
#   else
  (p2 ph0):f1
#   endif /*LABEL_CN*/

  d0 gron0
  4u groff
  p16:gp2*EA
  d16
  DELTA1
;*******************************************************  PEP
  (center (p1 ph2):f1		(p21 ph0):f3 )
  p19:gp4
  d16
  DELTA2
  (center (p2 ph3):f1		(p22 ph0):f3 )
  DELTA2
  p19:gp4
  d16
  (center (p1 ph3):f1		(p21 ph6):f3 )
  p16:gp5
  d16
  DELTA3
  (center (p2 ph3):f1		(p22 ph3):f3 )
  DELTA3
  p16:gp5
  d16
  (p1 ph0):f1
  DELTA4
  (p2 ph0):f1
  p16:gp3
  d16 pl16:f3
  4u  BLKGRAD

  go=2 ph31 cpds3:f3
  d11 do:f3 mc #0 to 2
     F1EA(calgrad(EA) & calph(ph6, +180), caldel(d0, +in0) & calph(ph5, +180) & calph(ph31, +180))
exit

ph0 = 0
ph1 = 1
ph2 = 2
ph3 = 3
ph4 = 0 0 0 0 2 2 2 2
ph5 = 1
ph6 = 3
ph7 = 1 3
ph8 = 0 0 2 2
ph31= 0 2 2 0

;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 CP
;pl16: f3 channel - power level for CPD/BB decoupling
;pl22: f3 channel - power level for CP
;sp1:  f1 channel - shaped pulse  90 degree
;spnam1: Sinc1.1000
;sp12: f1 channel - shaped pulse 180 degree
;spnam12: Reburp.1000
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;spnam13: Crp60,0.5,20.1
;p1 : f1 channel -  90 degree high power pulse
;p2 : f1 channel - 180 degree high power pulse
;p3 : f2 channel -  90 degree high power pulse
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p11: f1 channel -  90 degree selective pulse
;p12: f1 channel - 180 degree shaped pulse             [3 msec]
;p21: f3 channel -  90 degree high power pulse
;p22: f3 channel -  90 degree high power pulse
;p16: homospoil/gradient pulse                         [1 msec]
;p19: gradient pulse 2                                 [500 usec]
;d1 : relaxation delay; 1-5 * T1
;d8 : mixing time
;d11: delay for disk I/O                               [30 msec]
;d16: delay for homospoil/gradient recovery
;d26: 1/(4J(NH))
;d31: actual mixingi time
;cnst4: = J(NH)
;cnst9: CP power in Hz
;cnst19: amide 1H in ppm
;l2: ZZ-exchange cycles, Mixing time = 10ms x l2
;o3p: amide 15N in ppm
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/(2 * SW(N)) = DW(N)
;nd0: 2
;ns: 4 * n
;ds: >= 8
;td1: number of experiments in F1
;FnMODE: Echo-Antiecho in F1
;cpd3: decoupling according to sequence defined by cpdprg3
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence


;use gradient ratio:  gp 0 : gp 1 : gp 2 : gp 3 : gp 4 : gp 5
;                      0.2 :   30 :   80 : 16.2 :    5 :   -2

;for z-only gradients:
;gpz0: 0.2%
;gpz1:  30%
;gpz2:  80%
;gpz3:16.2%
;gpz4:   5%
;gpz5:  -2%

;use gradient files:   
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;gpnam3: SMSQ10.100
;gpnam4: SMSQ10.50
;gpnam5: SMSQ10.100

                                          ;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with 
;             option -DLABEL_CN (eda: ZGOPTNS)
                                          ;preprocessor-flags-end