;;Dimensionality: 7 ;;Experiment: HNOBAMJ ;;Phaseoverlap: 0000000 ;;trosy: 0 ;;DimProjections: 2 ;;Hfreq: BF1 ;;Cfreq: BF2 ;;Nfreq: BF3 ;;Carrier1: CNST 8 ;;Carrier2: O3P ;;Carrier3: CNST 29 ;;Carrier4: CNST 31 ;;Carrier5: CNST 31 ;;Carrier6: O3P ;;Carrier7: O1P ;;----------------end header------------------ ;set USERA5: 7D HNOBAMJ st ;Conventional Name: 7D-APSY-seq-HNCO(CA)CBCANH ;Sebastian Hiller, Christian Wasmer, ETH Zürich 2004-2007 ;modified by Fred Damberger, ETH Zurich 2007 for compatibility ;**************************************************************** ;* * ;* The following one-letter codes for the nuclei are used: * ;* * ;* HN (i) = H w1 t * ;* N (i) = N w2 u * ;* CO (i-1) = O w3 v * ;* CB (i-1) = B w4 w * ;* CA (i-1) = A w5 x * ;* N (i-1) = M w6 y * ;* * ;* The angles are defined as: * ;* * ;* alpha between w5 and w6 * ;* beta between w3 and w5/w6 * ;* gamma between w2 and w4/w5/w6 * ;* delta between w1 and w3/w4/w5/w6 * ;* epsilon between w1 and w2/w3/w4/w5/w6 * ;* * ;**************************************************************** ;pl1 : power for 1H hard pulse ;pl2 : power for 13C hard pulse ;pl3 : power for 15N hard pulse ;pl9 : power for H2O presat ;pl11 : power for 1H DIPSI2 decoupling ;pl13 : power for 15N WALTZ decoupling ;p1 : 90 degree hard pulse 1H ;p2 : 180 degree 1H ;p3 : 90 degree hard pulse 13C ;p4 : 180 degree 13C ;p5 : 90 degree hard pulse 15N ;p6 : 180 degree 15N ;----shaped pulse definitions p17:sp17 etc... ;p17 : 180 deg [38.3u] BLOCK.32 ;p16 : 90 deg [42.8u] BLOCK.32 ;p15 : 180 deg [220u] IBurp 42ppm ;p9 : 180 deg [220u] IBurp 51ppm ;p29 : 90 deg [280u] Q5 ;p30 : 180 deg [185u] Q3 ;p13 : 180 deg [38.3u] BLOCK.32 ;p25 : purge pulse 1m ;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 ;d5 : 3-9-19-delay. 200/130u at 500/750MHz ;cnst1: angle alpha =90 (A) all=0 (M) ;cnst2: angle beta =90 (B) ;cnst3: angle gamma =90 (O) ;cnst4: angle delta =90 (N) ;cnst5: angle epsilon =90 (H) ;cnst41: SW1 (H) [Hz] ;cnst42: SW2 (N) [Hz] ;cnst43: SW3 (O) [Hz] ;cnst44: SW4 (B) [Hz] ;cnst45: SW5 (A) [Hz] ;cnst46: SW6 (M) [Hz] ;cnst8: 1H carrier in amide region ;cnst29: CO chemical shift (offset, 174 ppm) ;cnst30: Ca chemical shift (offset, 53 ppm) for sp pulses ;cnst31: Cb+Ca chemical shift (offset, 42 ppm) for evolution ;sp9 : 180 deg, p9, iburp1_128 ;sp10 : 90 deg, p10, gauss128_5 ;sp11 : 180 deg, p11, ReBurp ;sp12 : 90 deg, p12, eburp1_128 ;sp13 : 180 deg, p13, BLOCK.32 ;sp14 : 90 deg, p14, GaussCascadeQ5_128 350u@600 ;sp15 : 180 deg, p15, iburp1_128 ;sp16 : 90 deg, p16, BLOCK.32 ;sp17 : 180 deg, p17, BLOCK.32 ;sp18 : 180 deg, p18, gauss128_5 ;sp19 : 180 deg, p19, reburp_128 ;sp20 : 90 deg, p20, gauss128_5 ;sp29 : 90 deg, p29, GaussCascQ5_TR_128 350u@600 ;sp30 : 180 deg, p30, GaussCascQ3_128 180u@600 ;spnam9 : iburp1_128 ;spnam10 : gauss128_5 ;spnam11 : GaussCascQ3_128 ;spnam12 : eburp1_128 ;spnam13 : BLOCK.32 ;spnam14 : GaussCascadeQ5_128 ;spnam15 : iburp1_128 ;spnam16 : BLOCK.32 ;spnam17 : BLOCK.32 ;spnam18 : gauss128_5 ;spnam19 : reburp_128 ;spnam20 : gauss128_5 ;spnam29 : GaussCascQ5_TR_128 ;spnam30 : GaussCascQ3_128 #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:gp8 190u #define GRADIENT6 10u p22:gp2 190u #define GRADIENT7 10u p22:gp9 190u #define GRADIENT8 10u p21:gp3 190u #define GRADIENT9 10u p21:gp6 190u ;cnst51 : set to cnst 8 ;cnst52 : set to o3p ;cnst53 : set to cnst 29 ;cnst54 : set to cnst 31 ;cnst55 : set to cnst 31 ;cnst56 : set to o3p ;cnst57 : set to o1p ;cnst59 : dummy "cnst59=cnst41+cnst42+cnst43+cnst44+cnst45+cnst46+cnst51+cnst52+cnst53+cnst54+cnst55+cnst56+cnst57" ;----------------------offsets "p13=866000/(bf2*(cnst29-cnst30))" ;"p14=968000/(bf2*(cnst29-cnst30))" "p16=968000/(bf2*(cnst29-cnst30))" "p17=866000/(bf2*(cnst29-cnst30))" "spoff9=bf2*((cnst30-cnst29)/1000000)" "spoff10=0.0" "spoff11=0.0" "spoff12=0.0" "spoff13=0.0" "spoff14=0.0" "spoff15=bf2*((cnst29-cnst30)/1000000)" "spoff16=0.0" "spoff17=0.0" "spoff18=bf2*((cnst29-cnst31)/1000000)" "spoff19=0.0" "spoff20=0.0" "spoff29=0.0" "spoff30=0.0" "l1=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 "in11=abs(in1*sin(0.0174533*cnst5))/2" "in12=abs(in1*sin(0.0174533*cnst4)*cos(0.0174533*cnst5))/2" "in13=abs(in1*sin(0.0174533*cnst3)*cos(0.0174533*cnst4)*cos(0.0174533*cnst5))/2" "in19=abs(in1*sin(0.0174533*cnst2)*cos(0.0174533*cnst3)*cos(0.0174533*cnst4)*cos(0.0174533*cnst5))" "in14=abs(in1*sin(0.0174533*cnst1)*cos(0.0174533*cnst2)*cos(0.0174533*cnst3)*cos(0.0174533*cnst4)*cos(0.0174533*cnst5))/2" "in15=abs(in1*cos(0.0174533*cnst1)*cos(0.0174533*cnst2)*cos(0.0174533*cnst3)*cos(0.0174533*cnst4)*cos(0.0174533*cnst5))/2" ;----------------------H "d11=d2-(p21+200u)-p6-5u" "d20=5u" "d21=d2-(p21+200u)" "in21=(d21-20u)/l1" "in20=0u" ;----------------------N "d12=5u" "d16=d8-p17-10u-p9" "d22=5u" "d23=d8-p9-10u" "in23=(d23-20u)/l1" "in22=0u" ;----------------------O "d13=d9-p9-10u" "d24=10u" "d25=d9-p9" "in25=(d25-p6-20u)/l1" "in24=0u" ;----------------------B "d19=10u" ;----------------------A "d14=23m-1600u" "d26=p15" "d27=23m-p15-1600u" "in27=in14" "d17=6.8m-p15-10u+10u" "d18=6.8m-4.75m-p15" ;----------------------M "d30=d7" "d29=10u" "d6=d7-p13-10u-d4" "d15=d7-p13-10u" "d28=d7-p13-p15-20u" "in30=(d30-20u)/l1" "in6=in15" "in29=0u" ;-------------------- #include define loopcounter ST1CNT "ST1CNT = td1 / (2)" 1 10u ze #ifdef A2 1m ip31 1m ip31 #endif #ifdef T 1m ip11 #endif #ifdef U 1m ip12 #endif #ifdef V 1m ip13 #endif #ifdef W 1m ip3 1m ip4 1m ip5 #endif #ifdef X 1m ip4 #endif #ifdef Y 1m dp15 #endif goto 4 10u d0 ; 10u id32 10u id0 10u id20 4 1m ;------------------------------------Switch constant-time for 15M if "in30 < in15" goto 5 10u "in30=in15" 10u goto 6 5 1m 10u "in29=in15-in30" 10u 6 1m ;------------------------------------Switch constant-time for 15N if "in23 < in12" goto 7 10u "in23=in12" 10u goto 8 7 1m 10u "in22=in12-in23" 10u 8 1m ;------------------------------------Switch constant-time for 13CO if "in25 < in13" goto 9 10u "in25=in13" 10u goto 10 9 1m 10u "in24=in13-in25" 10u 10 1m ;------------------------------------Switch constant-time for 1H if "in21 < in11" goto 11 10u "in21=in11" 10u goto 12 11 1m 10u "in20=in11-in21" 10u 12 1m ;------------------------------------ 2 5m LBLSTS1, 5m LBLF1, 5m 10u do:f3 10u LOCKH_OFF 10u pl9:f1 d1 ;cw:f1 10u do:f1 10u 10u fq=cnst29 (bf ppm):f2 10u 10u fq=cnst8 (bf ppm):f1 10u 10u pl1:f1 10u pl2:f2 10u pl3:f3 10u LOCKH_ON ;-----------------------------------------first INEPT (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 ;----------------------------------------- (p5 ph12):f3 (refalign (d12 p9:sp9 ph20 d16):f2 lalign (d4 5u cpds1):f1) (p17:sp17 ph20):f2 d22 (p6 ph20):f3 d23 (p9:sp9 ph20):f2 10u (p5 ph20):f3 ;-----------------------------------------NzCOz GRADIENT4 ;----------------------------------------- (p16:sp16 ph2):f2 10u (refalign (d13 p9:sp9 ph20 d24):f2 center (p6 ph20):f3) 10u (p17:sp17 ph23):f2 10u (refalign (d25 p9:sp9 ph20):f2 center (p6 ph20):f3) 10u (p16:sp16 ph13):f2 ;-----------------------------------------NzCOzCAz GRADIENT7 10u 10u fq=cnst31 (bf ppm):f2 10u 10u pl2:f2 10u ;-----------------------------------------INEPT CA -> CB (p29:sp29 ph20):f2 10u (p15:sp15 ph20):f2 d17 (p30:sp30 ph20):f2 d18 (p15:sp15 ph20):f2 10u pl2:f2 4740u ;-----------------------------------------CB evolution (p3 ph9):f2 GRADIENT8 d19 (p4 ph20):f2 GRADIENT8 10u (p3 ph5):f2 ;-----------------------------------------CA evolution GRADIENT9 (refalign (p15:sp15 ph20):f2 center (d14):f3) 10u pl2:f2 790u (refalign (p6 ph20):f3 center(p4 ph3):f2) GRADIENT9 (refalign (p15:sp15 ph20):f2 center (d27 d26):f3) 10u pl2:f2 790u (p3 ph4):f2 ;-----------------------------------------CAzNz GRADIENT5 ;----------------------------------------- (p5 ph15):f3 d30 (p6 ph20):f3 d29 (p13:sp13 ph20):f2 (d6 5u do 5u pl1):f1 (d15):f3 (d28 p15:sp15 ph20):f2 (p5 ph20):f3 ;-----------------------------------------NzHz 10u (p3 ph20):f2 GRADIENT3 ;----------------------------------------- (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 go=2 ph31 cpd3:f3 1m do:f3 wr #0 if #0 zd #ifdef Pt 30u ip11 #endif #ifdef Pu 30u ip12 #endif #ifdef Pv 30u ip13 #endif #ifdef Pw 10u ip3 10u ip4 10u ip5 #endif #ifdef Px 30u ip4 #endif #ifdef Py 30u dp15 #endif lo to LBLSTS1 times 2 1m id11 1m id20 1m dd21 1m id12 1m id22 1m dd23 1m id13 1m id24 1m dd25 1m id19 1m id14 1m dd27 1m id15 1m id29 1m dd30 1m id6 lo to LBLF1 times ST1CNT 10u do:f1 10u do:f2 10u do:f3 10u LOCKH_OFF exit ;-------------------phases for phasecycle ph1 = 1 1 3 3 ph2 = 3 ph3 = 0 ph4 = 1 3 ph5 = 0 0 2 2 ph9 = 0 2 ph11= 0 ph12= 0 ph13= 0 ph15= 0 ph31= 0 2 2 0 ;-------------------fixed phases ph20=0 ph21=1 ph22=2 ph23=3