# 1 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" ;hbcbconhf.fa ;3D/4D HBCB/HACA(CO)NNH ;Nietlispach et al., J.Am. Chem. Soc. 1996, 118, 407-415 ;Bruker Avance/Xwin-nmr version ;Written up by F. Abildgaard, NMRFAM (abild@nmrfam.wisc.edu) ;Version: 022697,050297 ; Disclaimer: This pulse program is provided "as is" for your ; information. Support for the use of this pulse program is only ; provided to users of the National Magnetic Resonance Facility ; at Madison (NMRFAM). Users of this pulse program employ it at ; their own risk. Neither NMRFAM nor University of Wisconsin-Madison ; are liable for any physical or other damage incurred during the ; use of this pulse program. ; ;f1: 1H, f2: 15N, f3: 13C, f5: 2H ;Gradient program: fahbacbannh ;o1p: 4.7ppm, ;o2p: 118ppm, ;o5p:: 4.5ppm, ;o3p: use fq3list fahbcbconh.C (43ppm,55.5ppm) ; ;p1 90 H at pl1 ;p2 90 N at pl2 ;p3 90 Cab at pl3 (for 90 Cab) ;(p4 90 Ca at pl4 (for 90 Ca)) ;p9 90 Ca at pl9 (for 180 Ca) ;p5 180 CO SEDUCE1 shape at power sp5, offset CO-Cab ;p6 90 Cab at pl6 (for 180 Cab) ;p7 90 CO at power sp7 offset CO-Ca, square shape ;p8 180 CO at power sp8 offset CO-Ca, square shape ;p11 90 H1 2ms selective water flip-back pulse at power pl21. ; Check for phase difference between hard H1 and soft H1 ; pulses and set phcor21 accordingly. ; Use zgsel1.fa to calibrate. ;p10 90 H at pl10 (composite 1H decoupling) ;p25 90 2H pulse at pl15 (optional) ;pl0 120dB ;d21: 1/(2*dNu), dNu=Nu(NH)-Nu(H2O) ; ;H1 Waltz-16y or DIPSI-2y (cpdprg1), using p90 (PCPD1) at pl10 ;N15 Waltz-16 (cpdprg2), using p90 (PCPD2) at pl12 ;Ca SEDUCE1 decoupling using pcpd3 at sp3, shape seduce1 offset 0, ; cpdprg3 waltz16sp3. ;H2 Waltz-16 (cpdprg5), using p90 (PCPD5) at pl15 ;H1 evolution: ; in0, SW(H)=1/2*in0 ; l8 complex points ;C13 evolution: ; in20, SW(C)=1/2*in20 ; l6 complex points; max. is (TAUB-p5)/in20+1 ;N15 evolution: ; in10=in30, SW(N)=1/2*in10 ; l4 complex points; max. is (d10/in10)+1 ;ds=m*ns, m=1, 2, 3,..., ns=32, 64, ... ; ;Recommendations for gradients: ;p15=400u ;p16=2.0m ;p17=700u ;cnst21=20G/cm ;cnst22=-50G/cm ;cnst23=40G/cm ; ;#define ONE_D ;#define C13_EVOL ;#define H2_DEC ;#define H_90180 ;#define C_90180 ; ;You shouldn't have to worry about anything beyond this point :-) ; ;sanity checks ; # 81 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" # 87 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" ; define delay TAUA1 define delay TAUA2 define delay TAUB define delay TAUC define delay TAUD define delay TAUE define delay TAUF define delay TAUG define delay TAUI define delay TAUW define delay TC define delay TC_TB define delay TN define delay C_H_N define pulse H1_90 define pulse H1_180 define pulse H1_S90 define pulse N15_90 define pulse N15_180 define pulse CA_180 define pulse COA_90 define pulse COA_180 define pulse COB_180 define pulse CAB_90 define pulse CAB_180 "d11=100m" ;disk i/o "d12=10u" ;power switching etc. "d13=5u" ;a short delay "d14=20u" ;ip,id etc. "d16=300u" ;gradient recovery # 124 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" "d0=d13" # 129 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" "d20=d13" "TAUA1=1.5m-p15-d13*3-p6*2" "TAUA2=1.5m-p15-d13" "TAUB=2.9m" ;"TAUB=2.1m" "TC=3.1m+p6*2-p5-d12*2" "TC_TB=3.1m-TAUB-d13*5-d12*2-p1*2-p10" "TAUD=5.4m" "TAUW=d21" "TAUE=2.2m-TAUW*2.5-p1*2.385-p17-d16-d13" ;"TAUF=2.7m-p5-d12-d13*2" "TAUF=3.7m-p5-d12-d13*2" "TAUG=4.5m" "TAUI=12.4m" "TN=12.0m" "H1_90=p1" "H1_180=p1*2" "H1_S90=p11" "N15_90=p2" "N15_180=p2*2" "CA_180=p9*2" "COA_90=p7" "COA_180=p8" "COB_180=p5" "CAB_90=p3" "CAB_180=p6*2" "C_H_N=N15_90-H1_90" "d22=(TAUW/2)-N15_90" "d24=CA_180" "d30=TN-TAUD-p8-p10-d12*2-d13*5" "d10=TN-d13-d12" # 1 "/u/exp/stan/nmr/lists/pp//Avance.incl" ;Avance.incl ; ;version 99/08/02 # 176 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" # 1 "/u/exp/stan/nmr/lists/pp//Gradfa.incl" ;Gradfa.incl - include file for Gradient Spectroscopy ;avance-version ; $Id: pulseprogram,v 1.1 2021/02/11 14:49:16 bmrbsvc Exp $ ; define list EA= # 177 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" 1 ze 2 d11 do:f2 d14 3 d14 d14*3 4 d14 d14*2 5 d14 d14*2 6 d14 d14*2 7 d14 d14*2 8 d14 setnmr8^4 d14 setnmr2^0 d1 pl1:f1 pl2:f2 pl3:f3 ;---------------- set carbon freq. on Cab (46ppm) --------------- 50u fq3:f3 ;-------------- INEPT to C and H evolution (t1) ----------------- d14 setnmr2|0 d14 setnmr8|4 (H1_90 ph24):f1 d13 p15:ngrad:c34 ;400u, 20G/cm TAUA1 pl6:f3 d0 (CAB_180 ph11):f3 d0 (H1_180 ph1):f1 d13 p15:ngrad:c34 ;400u, 20G/cm TAUA2 pl3:f3 (H1_90 ph12):f1 d12 pl12:f2 d13 cpds2:f2 # 215 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" ;------- H1 refocus, CBCA transfer, C evolution (t2) --------------- (CAB_90 ph22):f3 d13 d12 pl0:f3 (TAUB) (d20 COB_180:sp5 ph0):f3 (H1_90 ph12):f1 d13 (H1_90 ph25):f1 d13 \n d12 pl10:f1 \n p10:f1 ph0 \n d13 cpds1:f1 TC_TB pl6:f3 (d20 CAB_180 ph13):f3 (TC) d12 pl0:f3 (COB_180:sp5 ph0):f3 d13 do:f2 d12 pl3:f3 ;------------------------- INEPT to C' -------------------------- (CAB_90 ph0):f3 d13 d12 pl0:f3 (COB_180:sp5 ph0):f3 d13 TAUF pl6:f3 (CAB_180 ph15):f3 d13 d12 pl0:f3 (COB_180:sp5 ph0):f3 d13 TAUF pl3:f3 (CAB_90 ph0):f3 ;---------------- Switch C frequency to Ca (57ppm) -------------- d13 50u fq3:f3 # 250 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" d12 pl0:f3 ;---------------- INEPT to N ------------------------------------ (COA_90:sp7 ph14):f3 d13 d12 pl9:f3 (TAUI) (TAUG CA_180 ph0):f3 d12 pl0:f3 d24 pl2:f2 (COA_180:sp8 ph0):f3 (TAUI) (N15_180 ph0):f2 d12 pl9:f3 (CA_180 ph0):f3 d13 d12 pl0:f3 (COA_90:sp7 ph0):f3 ; d13 \n d12 pl0:f3 \n d13 cpds3:f3 (N15_90 ph23):f2 d10 d13 do:f3 d12 pl0:f3 (N15_180 ph16):f2 d13 (COA_180:sp8 ph0):f3 d13 \n d12 pl0:f3 \n d13 cpds3:f3 d30 d13 do:f1 \n p10:f1 ph2 \n d13 \n d12 pl1:f1 TAUD (N15_90 ph0):f2 d13 do:f3 d13 p16:ngrad:c34 ;2m, -50G/cm d16 ;------------ Reverse INEPT N to amide protons ------------------- (d13 d12 pl21 H1_S90 ph21:r d13 d12 pl1):f1 ;2ms 90 H1 pulse at phase x (H1_90 ph2):f1 d13 TAUE p17:ngrad:c34 ;700u, 40G/cm d16 (p1*0.231 ph1):f1 TAUW (p1*0.692 ph1):f1 TAUW (p1*1.462 ph1):f1 d22 (N15_180 ph0):f2 d22 (p1*1.462 ph3):f1 TAUW (p1*0.692 ph3):f1 TAUW (p1*0.231 ph3):f1 d13 p17:ngrad:c34 ;700u, 40G/cm d16 pl12:f2 TAUE go=2 ph31 cpds2:f2 # 311 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" d11 do:f2 wr #0 if #0 zd d14 ip23 lo to 3 times 2 d14 dd10 d14 id30 d14 ip31 d14 ip31 lo to 4 times l4 d14 rd10 d14 rd30 # 326 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" # 335 "/u/exp/stan/nmr/lists/pp/hbcbconhf.gc" d14*5 d14 ip24 d14 ip25 lo to 7 times 2 d14 id0 d14 ip31 d14 ip31 lo to 8 times l8 d14 setnmr8^4 d14 setnmr2^0 exit ph0=0 ph1=1 ph2=2 ph3=3 ph11=0 2 ph12=1 3 ph13=0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 ph14=0 0 2 2 ph15=0 0 0 0 2 2 2 2 ph16=0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 ph21=0 ph22=0 ph23=0 0 0 0 2 2 2 2 ph24=0 ph25=2 ph31=0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0