#include "bits.nt"
;3D hmqcHhmqc-J(15N-H-15N)
;Justin Wu and Ad Bax, JACS 2002, 124(33), 9672-9673 
;H1y-->H1xN1y-->H1yH2zN1y(t1)-->H1xH2z-->H1zH2x-->H1zH2yN2y-->H2xN2y(t2)-->H2y

;p1 = 90 deg (10us) 1H pulse @pl1
;p7 = 90 deg (50us) 15N pulse @pl7
;p15 1.8ms reBURP H-selective pulse for HN region
;p16 1.4ms hsec.3 for N 180
;cpds1 is wurst.2ms shaped Ca/CO decoupling during evolution
;  carbon carrier is ~110ppm

#define N1H1
#define N2H2

;evolution delays
"d5=20m"				;constant Time T=d5*2+5.3m*2
"d6=20m+2.65m"
"d0=d5/2-p16/2-p7*0.63-10u"
"d10=d5/2-p16/2"
"d17=d6/2-1.325m-p16/2-p7*0.63"
"d18=d6/2-1.325m-p15/2-p16/2-p22-100u"
"d20=d6/2+1.325m-p16/2-p15/2"
"d30=d6/2+1.325m-p16/2-p7*0.63-p22-100u"

"d2=5.3m-p21-20u"
"d3=5.3m-p7+p1"
"d4=d5-p15/2-10u-p7*0.63"
"d7=2.65m-p23-20u-p2"
"d11=50m"
"d12=1m"


1      ze
       1m RESET
2      1.5m do:C1
3      d12 do:N do:C2
4      d12
5      d12
6      d12
7      1m LOCK_ON
       d1
       1m LOCK_OFF
       10u do:N do:C1
       10u pl1:H
       10u pl7:N
       10u fq1:f1
       10u 
       (p7 ph7):N			;'whack' Boltzmann
         10u
         p20:gp20
;-- start HMQC (H1z) --
       (p1 ph0):H
         10u
         p21:gp21
         d2 pl29:C1
	 10u cpds1:C1
       (p7 ph1):N 
         7u pl8:N
         3u pl2:H
;-- N evolution (H1xN1y) --
       (d4 p15:sp1 ph2):f1 (d0 p16:sp0 ph0 d10 d10 p16:sp0 d0):N
         3u pl1:H
         7u pl7:N
       (p7 ph3):N
;--end N evolution (H1yH2zN1y) --
         20u 
         p21:gp21
         d2 
       (p1 ph4):H (p7 ph0):N
;-- start 2nd HMQC (H1zH2x) --
         d3 
       (p7 ph5):N
;-- 2nd N evolution (H1zH2yN2y) --
         d17 pl8:N
       (p16:sp0 ph0):N
         d18
         p22:gp22
         100u pl2:H
       (p15:sp1 ph0):H
         d20
       (p16:sp0 ph0):N
         10u
         p22:gp22
         90u pl1:H
         d30 pl7:N
       (p7 ph3):N
       (p1 ph0):f1
;-- water gate with refocusing (H2xN2z) --
         5u
         5u fq1:f1
         p23:gp23
         d7 pl2:f1
       (p2 ph15):f1
         5u
         5u pl1:f1
       (p1*2 ph16):f1
         5u
         5u pl2:f1
       (p2 ph15):f1 (p7*2 ph0):f2
         5u
         5u do:C1
         p23:gp23
         d7 pl31:N pl30:C2
       go=2 ph31 cpd2:N cpd3:C2
       1.5m do:N do:C1 do:C2
       1m LOCK_ON
       d11 wr #0 if #0 zd

#ifdef N1H1
d12 ip1
lo to 3 times 2
d12*0.5 dd0
d12*0.1 id10
d12*0.1 ip31
d12*0.1 ip31
lo to 4 times l3		;N1 LOOP
d12*0.1 rd0
d12*0.1 rd10
#endif

#ifdef N2H2
d12 ip5
lo to 5 times 2
d12*0.5 dd17
d12*0.1 id18
d12*0.1 id20
d12*0.1 dd30
d12*0.1 ip31
d12*0.1 ip31
lo to 6 times l4		;N2 loop
#endif

d12
d12
1m RESET
1m LOCK_ON
exit


ph0= 0
ph1= 0 2
ph2= 2
ph3= 0
ph4= 1 1 1 1 3 3 3 3
ph5= 0 0 2 2
ph7= 0
ph15=(360)179
ph16=0
ph31=0 2 2 0