;;Dimensionality: 6 ;;Experiment: HNOAMJ ;;Phaseoverlap: 000000 ;;trosy: 0 ;;DimProjections: 2 ;;Hfreq: BF1 ;;Cfreq: BF2 ;;Nfreq: BF3 ;;Carrier1: CNST 8 ;;Carrier2: O3P ;;Carrier3: O2P ;;Carrier4: O4P ;;Carrier5: O3P ;;Carrier6: O1P ;;----------------end header------------------ ;Conventional name: 6D-APSY-seq-HNCOCANH ;Version for two 13C channels, f3 and f4 ;Fred Damberger, Sebastian Hiller, Christian Wasmer ETH Zurich 2004-2007 ;FnMODE: States-TPPI in F1 ;;USERA5: 6D HNOAMJ st ;**************************************************************** ;* * ;* The following one-letter codes for the nuclei are used: * ;* * ;* HN (i) = H w1 u * ;* N (i) = N w2 v * ;* CO (i-1) = O w3 w * ;* CA (i-1) = A w4 x * ;* N (i-1) = M w5 y * ;* * ;* The angles are defined as: * ;* * ;* alpha between w4 and w5 * ;* beta between w3 and w4/w5 * ;* gamma between w2 and w3/w4/w5 * ;* delta between w1 and w2/w3/w4/w5 * ;* * ;**************************************************************** ;O1P : Hacq (H2O) [4.7] ;O2P : CO [176] ;O3P : N backbone [118.4] ;O4P : CA [54.5] ;pl1 : power for 1H ;pl2 : unused power for 13CO ;pl3 : power for 15N ;pl4 : p3 13C high power 90 on f4 ;pl9 : power for presaturation ;pl11 : power for 1H DIPSI decoupling ;pl13 : power for 15N WALTZ decoupling ;p1 : 90 degree hard pulse 1H ;p2 : 180 degree 1H ;p3 : 90 degree hard pulse 13C:f4 ;p5 : 90 degree hard pulse 15N ;p6 : 180 degree 15N ;p8 : 180 Gauss 80u@750 ;p9 : 180 iburp 220u@750 ;p11 : 180 reburp 13CA 300u@750 ;p12 : 90 EBurp 180u@750 ;p14 : 90 Block calc43u ;p18 : 180 Gauss 80u@750 ;p20 : 90 Gauss 80u@750 ;pcpd1 : 90 degree cpd-pulse 1H (DIPSI2, 80us) ;pcpd3 : 90 degree cpd-pulse 15N (WALTZ, 160us) ;cpdprg1 : dipsi2 ;cpdprg3 : waltz16 ;p21 : 600u ;p22 : 800u ;p23 : 1000u ;gpz1 : 25 % ;gpz2 : 30 % ;gpz3 : 35 % ;gpz4 : 40 % ;gpz5 : 45 % ;gpz6 : 50 % ;gpz7 : 55 % ;gpz8 : 60 % ;gpz9 : 65 % ;gpz10 : 70 % ;gpz11 : 75 % ;gpz12 : 80 % ;d1 : relaxation delay ;d2 : 1H-15N inept delay ;d4 : delay for in-phase coh. (5.5ms) ;d5 : delay 3-9-19=1/(Hz between nulls) ;d8 : 1/2 constant-time 15NCO (14ms) ;d7 : 1/2 constant-time 15NCA end (14ms) ;d18 : 1/2 constant-time COCA (4.7m) ;d14 : 4.75 ;d26 : 25-4.75 ;d27 : 25 ;cnst1: angle alpha ;cnst2: angle beta ;cnst3: angle gamma ;cnst4: angle delta ;cnst8: 1H-offset during HN evolution ;cnst41: SW1 (HN) [Hz] ;cnst42: SW2 (N) [Hz] ;cnst43: SW3 (CO) [Hz] ;cnst44: SW4 (CA) [Hz] ;cnst45: SW5 (N) [Hz] ;cnst51: f1 CNST8 HN [ppm] ;cnst52: f2 O3P N [ppm] ;cnst53: f3 O2P CO-1 [ppm] ;cnst54: f4 O4P CA-1 [ppm] ;cnst55: f5 O3P N-1 [ppm] ;cnst56: f6 O1P Hacq [ppm] ;------------------the following lines are needed in order to force ased to display cnst41-45 & cnst51-56 "cnst41=cnst41" "cnst42=cnst42" "cnst43=cnst43" "cnst44=cnst44" "cnst45=cnst45" "cnst51=cnst51" "cnst52=cnst52" "cnst53=cnst53" "cnst54=cnst54" "cnst55=cnst55" "cnst56=cnst56" ;sp8 : 180 gauss128_5 ;sp9 : 180 iburp1 ;sp11 : 180 reburp ;sp12 : 90 eburp ;sp18 : 180 gauss128_5 ;sp20 : 90 gauss128_5 ;spnam8 : Gauss128_5 ;spnam9 : IBurp128 ;spnam11 : ReBurp128 ;spnam12 : EBurp128 ;spnam18 : Gauss128_5 ;spnam20 : Gauss128_5 #define GRADIENT1 10u p21:gp1 190u #define GRADIENT2 10u p23:gp10 190u #define GRADIENT3 10u p23:gp10 190u #define GRADIENT4 10u p22:gp2 190u #define GRADIENT5 10u p22:gp1 190u #define GRADIENT6 10u p22:gp2 190u #define GRADIENT7 10u p22:gp9 190u ;----------------------offsets "spoff8=0" "spoff9=0" "spoff11=0" "spoff12=0" "spoff18=0" "spoff20=0" ;combined evolution according to trigonometric addition "in11=abs(in1*sin(0.0174533*cnst4))/2" "in12=abs(in1*sin(0.0174533*cnst3)*cos(0.0174533*cnst4))/2" "in13=abs(in1*sin(0.0174533*cnst2)*cos(0.0174533*cnst3)*cos(0.0174533*cnst4))/2" "in14=abs(in1*sin(0.0174533*cnst1)*cos(0.0174533*cnst2)*cos(0.0174533*cnst3)*cos(0.0174533*cnst4))/2" "in15=abs(in1*cos(0.0174533*cnst1)*cos(0.0174533*cnst2)*cos(0.0174533*cnst3)*cos(0.0174533*cnst4))/2" "l3=td1/2" "p2=2*p1" "p6=2*p5" "d0 = 1.0m" ; dummy "in0= in1" ; dummy ;------------------------------basic delays "d2 =2.7m" ;1/2 H-N "d4 =5.4m" ; 1 H-N "d7 =14.0m" ;sqrt(2)*1/2 N-CA "d10=25.0m" ;1/2 N-CA;2*CB-CA "d8 =14.0m" ;1/2 N-CO "d9 =4.75m" ;1/2 CO-CA ;----------------------fixed delays define delay INEPT_W "INEPT_W=d2-(p22+200u+p1*2.3846+d5*2.5)" define delay WGATE "WGATE=d5/2-p5" ;----------------------------indirect dimensions ;----------------------H in11 (see above) 2*2.7m "d11=d2-(p21+200u)-p6-5u" "d20=5u" "d21=d2-(p21+200u)" "in21=((d21-20u)/td1)*2" "in20=0u" ;----------------------N in12 (see above) 2*14m "d12=10u" "d16=d8-p18-10u" "d22=10u" "d23=d8" "in23=((d23-20u)/td1)*2" "in22=0u" ;----------------------O in13 (see above) 2*4.75m "d13=d9-p8-5u" "d24=5u" "d25=d9-p8" "in25=((d25-p6-20u)/td1)*2" "in24=0u" ;----------------------A in14 (see above) 2*25m "d14=d9" "d26=d10-d9" "d27=d10" "in27=in14" ;----------------------M in15 (see above) 2*14m "d30=d7" "d29=10u" "d6=d7-p9-10u-d4" "d15=d7-p9-10u" "d28=d7-p18-p9-10u" "in30=((d30-20u)/td1)*2" "in6=in15" "in29=0u" ;-------------------- total time in plane = 120m: 120m - 2*5.4m(no dipsi) = 109.6m dipsi decoupling ;$CLASS=HighRes ;$DIM=6D ;$TYPE= ;$SUBTYPE= ;$COMMENT= ;; prosol relations= ;pp does not follow prosol conventions #include 1 10u ze #ifdef A2 3m ip31*2 #endif #ifdef U 3m ip11 #endif #ifdef V 3m ip12 #endif #ifdef W 3m ip13 #endif #ifdef X 3m ip14 #endif #ifdef Y 3m dp15 #endif goto 4 d0 10u id27 10u id0 10u id20 4 1m ;------------------------------------Switch constant-time for t5(N-1) [dim y] if "in30 < in15" goto 5 10u "in30=in15" 10u goto 6 5 1m 10u "in29=in15-in30" 10u 6 1m ;------------------------------------Switch constant-time for t2(N) [dim v] if "in23 < in12" goto 7 10u "in23=in12" 10u goto 8 7 1m 10u "in22=in12-in23" 10u 8 1m ;------------------------------------Switch constant-time for t3(CO-1) [dim w] if "in25 < in13" goto 9 10u "in25=in13" 10u goto 10 9 1m 10u "in24=in13-in25" 10u 10 1m ;------------------------------------Switch constant-time for t1(HN-1) [dim u] if "in21 < in11" goto 11 10u "in21=in11" 10u goto 12 11 1m 10u "in20=in11-in21" 10u 12 1m ;------------------------------------ 2 15m 3 45m 4 10m 10u do:f3 10u LOCKH_OFF 10u pl9:f1 d1 ;cw:f1 10u do:f1 10u 10u 10u fq=cnst8 (bf ppm):f1 10u 10u pl1:f1 10u pl2:f2 10u pl3:f3 10u pl4:f4 10u LOCKH_ON ;-----------------------------------------first INEPT + semiCT t1(HN) (p1 ph11):f1 GRADIENT1 d11 (p6 ph20):f3 d20 (p2 ph20):f1 GRADIENT1 d21 (p1 ph1):f1 ;-----------------------------------------HzNz GRADIENT2 10u fq=0(sfo hz):f1 10u pl11:f1 ;----------------------------------------- NxHz -> Ny + INEPT N->CO + semiCT t2(N) (p5 ph12):f3 (refalign (d12 p9:sp9 ph20 d16):f4 lalign (d4 5u cpds1):f1) ;start dipsi after 5.4m ; d59 ;--- comment in to test dipsi heating (compare 0 with TD1/2*in11) (p18:sp18 ph20):f2 d22 (p6 ph20):f3 d23 (p9:sp9 ph20):f4 10u (p5 ph20):f3 ;-----------------------------------------NzCOz GRADIENT4 ;----------------------------------------- semiCT t3(CO-1) (p20:sp20 ph2):f2 (refalign (d13 p8:sp8 ph20 d24):f4 center (p6 ph20):f3) (p18:sp18 ph23):f2 (refalign (d25 p8:sp8 ph20):f4 center (p6 ph20):f3) (p20:sp20 ph13):f2 ;-----------------------------------------NzCOzCAz GRADIENT7 10u 10u 10u ;----------------------------------------- semiCT t4(CA-1) (p12:sp12 ph14):f4 d14 (p18:sp18 ph20):f2 10u d26 (refalign (p11:sp11 ph20):f4 center (p6 ph20):f3) d27 (p18:sp18 ph20):f2 10u (p3 ph21):f4 ;-----------------------------------------CAzNz GRADIENT5 ;----------------------------------------- semiCT t5(N-1) (p5 ph15):f3 d30 (p6 ph20):f3 d29 (p9:sp9 ph20):f4 (d6 5u do 5u pl1):f1 (d15):f3 (d28 p18:sp18 ph20):f2 (p5 ph20):f3 ;-----------------------------------------NzHz 10u (p3 ph20):f4 GRADIENT3 10u 10u ;----------------------------------------- wg3919 + NzHy ->Hx (p1 ph20):f1 GRADIENT6 INEPT_W (p1*0.2308 ph21 d5 p1*0.6923 ph21 d5 p1*1.4615 ph21):f1 WGATE (p6 ph20):f3 WGATE (p1*1.4615 ph23 d5 p1*0.6923 ph23 d5 p1*0.2308 ph23):f1 GRADIENT6 INEPT_W pl13:f3 LOCKH_OFF ;-----------------------------------------acquisition t6(HN-1) go=2 ph31 cpd3:f3 10m do:f3 wr #0 if #0 zd #ifdef Pu 1m ip11 #endif #ifdef Pv 1m ip12 #endif #ifdef Pw 1m ip13 #endif #ifdef Px 1m ip14 #endif #ifdef Py 1m dp15 #endif lo to 3 times 2 1m id11 1m id20 1m dd21 1m id12 1m id22 1m dd23 1m id13 1m id24 1m dd25 1m id14 1m dd27 1m id15 1m id29 1m dd30 1m id6 lo to 4 times l3 10u do:f1 10u do:f2 10u do:f3 10u do:f4 10u LOCKH_OFF exit ;-------------------phases for phasecycle ph1= 1 3 ph2= 3 3 1 1 ph31=0 2 2 0 ;-------------------phases for States-TPPI ph11=0 ph12=0 ph13=0 ph14=0 ph15=0 ;-------------------fixed phases ph20=0 ph21=1 ph22=2 ph23=3