# 1 "/u/exp/stan/nmr/lists/pp/cbcaconh.hu"

# 1 "/u/exp/stan/nmr/lists/pp/bits.sg"
;Gradnt.incl  -  include file for Gradient Spectroscopy
;avance-version
;version 94/06/27











































# 2 "/u/exp/stan/nmr/lists/pp/cbcaconh.hu"

# 7 "/u/exp/stan/nmr/lists/pp/cbcaconh.hu"







;f1 = hydrogen frequency on water
;p1=proton 90 at pl1 ~ 3db
;p2=proton 90 at pl2 ~ 1ms phcor14
;p30=proton 90 at pl30 ~ 15db dipsi-2 decoupling power cpds1

;f4 = carbon frequency switched from 46ppm to 177ppm fq4 for ,
;	otherwise on 46ppm
;p4=low power carbon 90 49us at pl4
;p5=low power carbon 90 53us at pl5
;p6=low power carbon 90 22us at pl6
;p7=23.7u*2 (600 MHz) rect32 180 on CA offset (-121 ppm) at sp1
;p8 ~ 300u;shaped offset (+131 ppm) sinc1.0 180 at sp0





;f2 = nitrogen frequency
;p17 = high power nitrogen 90 45us at pl17
;p31 = low power 90 pulse 160 us at pl31 waltz16 cpds3

;****** f1 evolution     ******
;in13=1/(2sw)
;in15=d15/(l2+1)
;in14=in13-in15

"d13=1.5m"
"d14=10u"
"d15=d13+p6*2+d14"



;******	CA/CB evolution	******

;in16 = in18 = 1/(2sw)
;l3 = d18/in18

"d16=10u"
"d17=3.1m"	;cb to ca transfer time/2
"d18=d16+p8+d17"
"d19=p8+d17-2.1m"



;******	f2 evolution	******
;in27=in29=1/(2sw)
;l5 = d27/in27

;"d30=3.0m"	;f2 to HN transfer time for NH2
"d30=5.4m"	;f2 to HN transfer time for NH2



"d24=p5-p17"
"d28=13m"	;f2 to CO transfer time/2
"d29=10u"
"d26=d28+p7-d30"
"d27=d28+p7+d29"


"d5=7m"	;universal dd, id, ip delay
"d11=50m"

define delay pd7
"pd7=p7"

;-------------- Gradient pulses -----------------
;you have to set them by hand 
"p20=2.0m"              ;gp1=+50%
"p21=2.5m"              ;gp1=+50%
"p22=0.4m"              ;gp1=+50%
"p23=1.4m"              ;gp2=-50%

;******	end declaration	******

	ze
2	5u
	d11

	d5

5	d5*4
6	d5*2



	d5
7	d5*4
8	10u

;*******	presaturation		*******
	10u setnmr2^0 setnmr0^32 setnmr0^33 setnmr0^34

	20u fq4:f4; shifting frequency to 46 ppm (CA/CB)

	50m pl1:f1 
	1m pl6:f4 
	1m pl17:f2
	d1
	10u setnmr2|0 setnmr0|32 setnmr0|33 setnmr0|34
;*******	start 90-degree on ha/hb*******
	(p1 ph2)
	d13
	(p6*2 ph7):f4
	d14
	(p1*2 ph0):f1
	d15	
	(p1 ph7) 
	4u
	p20:gp1		;GRAD( 50, POSITIV, 40 )
	(3m pl4):f4
;*******	inept to c aliphatic	*******
	(p4 ph1):f4

	(1m 1.1m pl30 d19 cpds1 d16):f1 (d16 p8:sp0 ph10 d17):f4
	(10u pl6):f4
	(p6*2 ph17):f4
	10u
	(d18 pl4):f4
;*******	inept to ca		*******
	(p4 ph19):f4


	4u
	(p8:sp0 ph10):f4	;shaped pulse on carbonyl BS
	10u
	3.5m pl6:f4	;be careful when using shaped pulses
	(p6*2 ph29):f4
	4u
	(p8:sp0 ph10):f4	;shaped pulse on carbonyl
	10u
	3.5m pl4:f4
	(p4 ph0):f4
	10u
	20u fq4:f4; shifting frequency to carbonyl
	10u pl5:f4
	10u do:f1
	p23:gp2
	1.4m
	10u cpds1:f1
;*******	inept to carbonyl	*******
	(p5 ph8):f4
	4.5m
	(p7:sp1 ph10):f4	;offset rect 180 on CA (-121 ppm)
	5.5m
	1m pl5:f4
	(p5*2 ph10):f4 (d24 p17*2 ph10):f2
	11m
	pd7
	(p5 ph18):f4
;*******	inept to nitrogen	*******
	(p17 ph9):f2
	d27
	(p5*2 ph10):f4 (d24 p17*2 ph4):f2
	(d26 d29 d30 do):f1 (d28 p7:sp1 ph10 d29):f4

;*******	inept to protons	*******
	(p17 ph0):f2
	2u
	p21:gp1		;GRAD( 60, POSITIV, 50 )
	(4m pl1):f1
	(p1 ph0)
	2u
	p22:gp1		;GRAD( 62, POSITIV, 12.0 )
	950u pl2:f1
	(p2 ph14:r):f1
	2u
	5u pl1:f1
	(p1*2 ph0)
	2u
	5u pl2:f1
	(p17*2 ph10):f2 (p2 ph14:r):f1
	2u
	p22:gp1		;GRAD( 64, POSITIV, 12.0 )
	898u pl31:f2
go=2 ph31 cpd3:f2
5u do:f2
d11 wr #0 if #0 zd


d5 ip1
lo to 5 times 2

d5 id16
d5 dd18
d5 ip31
d5 ip31
lo to 6 times l3
d5 rd16
d5 rd18




d5 ip9
lo to 7 times 2
d5 dd27
d5 id29
d5 ip31
d5 ip31
lo to 8 times l5

10u setnmr2^0 setnmr0^32 setnmr0^33 setnmr0^34
10u do:f2
exit

ph0=0
ph1=0
ph2=     1   1   1   1   1   1   1   1 
         3   3   3   3   3   3   3   3 
ph4=0 0 2 2
ph7=0
ph8=0 0 0 0 2 2 2 2
ph9=0 2
ph10=0
ph12=0
ph14=2; 	;-x for pl2 phcor14
ph15=1
ph16=3
ph17=0 0 1 1 2 2 3 3
ph18=(360)48	;adjusted for BS compensation
ph19=0
ph20=0
ph29=0 2

ph31=0 2 2 0 2 0 0 2
     2 0 0 2 0 2 2 0

