# 1 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" ;c13hsqcse.fa ;clipper p180=H1_180,C13_180 ;f1: 1H, f2: 15N, f3: 13C (channel assignments may be changed below) ;d1: relaxation delay=d1+0.1s ;p1 90 H at pl1 ;p3 90 C at pl3 ;p11 90 H1 2ms selective water pulse at power pl11. ; Check for phase difference between hard H1 and soft H1 ; pulses and set phcor21 accordingly. ;d2: 1/(4Jch), aliph: 1.87ms, arom: 1.5ms ;d4: 1/(4Jch) for CH, 1/(8Jch) for CH, CH2 and CH3 ; i.e. 1.87ms or 0.93ms, resp. ; for arom: 1.5ms ;pl0 120dB ;N15 Waltz-16 PCPD at pl12, cpdprg2 (optional) ;C13 GARP decoupling using CPDPRG3 and PCPD at pl13 ;C' Compensated SEDUCE1 decoupling of C', using p31 at sp3, ; shape seduce1c5/6, offset 0, cpdprg4 waltz16sp3p31 (optional). ;C evolution: ; in0, SW(C)=1/(2*in0), typically 60 ppm ; l4 complex points ; Define C_90180 below for DW/2 initial delay in t1 (0/90,-180 phase). ; Processing: Echo-Antiecho. ;ns=2, 4,..., ds=2, 4,... ;Recommendations for gradients: ;gpz1: 20% ;gpz2: 25% ;gpz3: 55% ;gpz4: 25% ;gpz5: 15% ;gpz6: 55% ;gpz7: -22% ;gpz8: 2% ;gpnam1: sine.50 ;gpnam2: sine.50 ;gpnam3: sine.100 ;gpnam4: sine.32 ;gpnam5: sine.32 ;gpnam6: sine.10 ;gpnam7: sine.100 ;#define ONE_D ; uncomment for 1D experiment ;#define FLIP_BACK ; uncomment for (hopefully) selective H2O flip-back ;#define N15_DEC ; uncomment for N15 decoupling ;#define SEDUCE ; uncomment for compensated SEDUCE-1 decouling of C' ;#define C_90180 ; uncomment for DW/2 initial delay in t1 (90,-180) ;#define MESSERLE ; this may improve solvent suppression (don't use with flip-back) ;#define OPTIM_P19 ; uncomment if you want to optimize p19 (GRAD6) ; ; the correct expt time (works with XWIN-NMR 2.x) ;Define channel assignments: ;You shouldn't have to worry about anything beyond this point :-) # 58 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" # 61 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" define delay TAUA2 define delay TAUA4 define delay TAUA5 define delay TAUB define delay DELTA define delay CEN_HC1 define pulse H1_90 define pulse H1_180 define pulse H1_S90 define pulse C13_90 define pulse C13_180 define pulse GRAD1 define pulse GRAD2 define pulse GRAD3 define pulse GRAD4 define pulse GRAD5 define pulse GRAD6 define pulse GRAD7 "d11=100m" ;disk i/o "d12=10u" ;power switching etc. "d13=5u" ;a short delay "d14=60u" ;ip,id etc. "d16=300u" ;gradient recovery "H1_90=p1" "H1_180=H1_90*2" # 89 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" "C13_90=p3" "C13_180=C13_90*2" "CEN_HC1=C13_90-H1_90" "d6=H1_90" "d7=C13_90" "GRAD1=400u" "GRAD2=400u" "GRAD3=720u" "GRAD4=250u" "GRAD5=250u" "p19=91.5u" ; configurable: set to the optimum value on your instrument "GRAD6=p19" "GRAD7=4.0m" "TAUA2=d2-GRAD2-d16-d13" "TAUA4=d4-GRAD4-d16-d13" "TAUA5=d2-GRAD5-d16-d13" # 113 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" "d0=d13" # 121 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" "TAUB=d16+GRAD3+H1_180+d13*5" # 130 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" # 138 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" "d31=2*(TAUA2+TAUA4+TAUA5+GRAD2+GRAD4+GRAD5+GRAD6)+GRAD1+GRAD3+GRAD7+TAUB" # 1 "/pisa/exp/stan/nmr/lists/pp//Avance.incl" ;Avance.incl ; ;version 99/08/02 # 150 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" # 1 "/pisa/exp/stan/nmr/lists/pp//Grad.incl" ;Grad.incl - include file for Gradient Spectroscopy ;avance-version ;version 99/02/19 define list<gradient> EA=<EA> # 151 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" 1 ze d12 d14 setnmr8|8 2 d13 do:f3 d14 setnmr8^4 d14 d11 setnmr2^0 3m 3 d14 d14 d14 d14 d14 4 d13 # 1 "/pisa/exp/stan/nmr/lists/pp//faexptcorr.incl" ; This is here to trick "expt" to calculate the experiment time ; correctly. if "1 == 1" goto nod31 d31 nod31, d13 # 168 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" d1 pl1:f1 pl3:f3 d13 setnmr2|0 d13 setnmr0|34 d13 setnmr8|4 (C13_90 ph0):f3 d13 GRAD1:gp1 ;400u, 15G/cm, sine.50 d16 # 179 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" (H1_90 ph0):f1 d13 GRAD2:gp2 ;400u, 16G/cm, sine.50 d16 TAUA2 (CEN_HC1 H1_180 ph0):f1 (C13_180 ph0):f3 d13 TAUA2 GRAD2:gp2 ;400u, 16G/cm, sine.50 d16 # 193 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" (H1_90 ph1):f1 d13 GRAD7:gp7 ;1m, -15G/cm, sine.100 d16 d13 ; Begin Carbon evolution (C13_90 ph11):f3 d13 d0 (H1_180 ph0):f1 d0 d13 d13 GRAD3:gp3*EA ;720u, +/-40G/cm, sine.100 ;GRAD3:gp3 ;720u, +/-40G/cm, sine.100 d16 (C13_180 ph0):f3 TAUB ; End Carbon evolution (C13_90 ph12):f3 d6 (H1_90 ph0):f1 d13 GRAD4:gp4 ;250u, 16G/cm, sine.32 d16 TAUA4 (C13_180 ph0):f3 (H1_180 ph0):f1 d13 TAUA4 GRAD4:gp4 ;250u, 16G/cm, sine.32 d16 d7 (C13_90 ph1):f3 (H1_90 ph1):f1 d13 GRAD5:gp5 ;250u, 10G/cm, sine.32 d16 TAUA5 (CEN_HC1 H1_180 ph0):f1 (C13_180 ph0):f3 d13 TAUA5 GRAD5:gp5 ;250u, 10G/cm d16 (H1_90 ph0):f1 d13 GRAD6:gp6*-1 ;91u, 40G/cm, sine.10 d13 d16 pl13:f3 (H1_180 ph0):f1 d13 GRAD6:gp6 ;91u, 40G/cm, sine.10 d13 d16 setnmr0^34 go=2 ph31 cpds3:f3 # 253 "/pisa/exp/stan/nmr/lists/pp/c13hsqcse.cui" d11 do:f3 wr #0 if #0 zd setnmr8^4 d13 setnmr2^0 3m igrad EA d14 ip12 d14 ip12 lo to 3 times 2 d14 id0 d14 ip11 d14 ip11 d14 ip31 d14 ip31 lo to 4 times l4 d14 setnmr8^8 exit ph0=0 ph1=1 ph2=2 ph3=3 ph11=0 2 ph12=0 ph21=1 ph31=0 2