; B_p_i_1 old name: mapro_.3/ MA_p_i_1 ; Proline selective 15N/1H correlation of the (i-1) residues ; using WATERGATE as water suppression ; phase sensitive with TPPI-States ; Aug. 2000 M. Schubert ; last modified by D. Leitner (1.12.00) ; ref: M. Schubert, L. J. Ball, H. Oschkinat and P. Schmieder ; J. Biomol. NMR. 2000, 17, 331-335. #include ; PULSES "p2 =2.0*p1" "p6 =2.0*p5" ;DELAYS "d11 = d1/3" "d12 = 20u" "d13 = 3u" "d0 = 11m" ;"d21 = 400u" ;"p21 = 900u" ;"p22 = 1m" ;"d22 = 500u" ;"p23 = 1m" ;"d23 = 500u" "CP4P2 = (p4-p2)/2" "CP6P2 = (p6-p2)/2" "CP6P4 = (p6-p4)/2" "CP8P6 = (p8-p6)/2" "CP10P6 = (p10-p6)/2" "TAU1 = 1.5m" "TAU2 = 2.25m - p21 - d21 - 1.69*d3" "TAU3 = (d3-p6)/2" "TAU = 5.5m" "TAU4 = 2.1m" "DELTA1 = 3.5m" "DELTA2 = 4.5m" "DELTA4 = 11.4m" "DELTA3 = DELTA4 - DELTA2 + 2*d13 + p6" "DELTA5 = 5.5m" "DELTA7 = 14.2m" "DELTA6 = DELTA7 - DELTA2 + 2*d13 + p6" "DELTA8 = 22m - TAU - d12 - p19 + p6" "DELTA9 = 11m - p10 - 3u" "l0 = td1/2" 1 ze d12 pl2:f2 d12 fq2:f2 2 d11 do:f3 3 d11 d11 4 d12 pl3:f3 d12 fq3:f3 ; (p3:sp3 ph1):f2 ; 50u UNBLKGRAD ; GRADIENT_A(cnst22) (p1 ph2):f1 TAU1 (CP4P2 p2 ph1):f1 (p4:sp4 ph1):f2 TAU1 (p1 ph1):f1 50u UNBLKGRAD GRADIENT_A(cnst22) d22 pl19:f1 (p3:sp3 ph6):f2 (TAU4 d12 cpds1 ph1):f1 (d13 p10:sp10 ph1 DELTA1 p4:sp4 ph1 d13 p10:sp10 ph1):f2 DELTA1 (p3:sp3 ph2):f2 d12 fq2:f2 ;----------------------------------------on 13CO (p7:sp7 ph1):f2 DELTA2 (p12:sp12 ph1):f2 DELTA3 (p8:sp8 ph1):f2 d13 (p6 ph1):f3 DELTA4 (p12:sp12 ph1):f2 d13 (p7:sp7 ph1):f2 d13 ;-----------------------------------------on 15N (p5 ph1):f3 DELTA5 (d12 do):f1 (p6 ph9):f3 DELTA5 (p5 ph5):f3 ;----------------------------- 50u GRADIENT_B(cnst23) d23 ;-----------------------------------------on 13CO (d12 cpds1 ph1):f1 (p7:sp7 ph1):f2 d13 (p12:sp12 ph1):f2 DELTA4 (p6 ph1):f3 d13 (p8:sp8 ph1):f2 DELTA3 fq3:f3 (p12:sp12 ph1):f2 DELTA2 (p7:sp7 ph1):f2 d12 fq2:f2 ;-----------------------------------------on 13CA (p3:sp3 ph4):f2 DELTA2 (p10:sp10 ph1):f2 DELTA6 (p4:sp4 ph1):f2 d13 (p6 ph1):f3 DELTA7 (p10:sp10 ph1):f2 d13 (p3:sp3 ph1):f2 d13 (p5 ph10):f3 (DELTA8 d12 do p19 ph15 TAU):f1 (d0 CP6P4 p4:sp4 ph1 DELTA9 p10:sp10 ph1):f2 (d0 p6 ph8):f3 (p5 ph1):f3 50u GRADIENT_C(cnst24) d24 pl10:f1 (p15:sp1 ph16):f1 d13 d12 pl1:f1 (p1 ph1):f1 50u WTGGRAD(cnst21) d21 TAU2 p1*0.231 ph2 d3 p1*0.692 ph2 d3 p1*1.4621 ph2 TAU3 (p6 ph1):f3 TAU3 p1*1.4621 ph3 d3 p1*0.692 ph3 d3 p1*0.231 ph3 45u WTGGRAD(cnst21) d21 5u BLKGRAD TAU2 pl16:f3 go=2 ph31 cpd3:f3 d11 do:f3 wr #0 if #0 ip10 zd lo to 3 times 2 d11 dd0 ip31 d11 ip31 lo to 4 times l0 exit ph1 = 0 ph2 = 1 ph3 = 3 ph4 = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 ph5 = 0 2 ph6 = 1 1 3 3 ph8 = 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 ph9 = 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 ph10 = 0 0 0 0 2 2 2 2 ph13 = 0 ph14 = 1 ph15 = 3 ph16 = 2 ph31 = 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 2 0 0 2 0 2 2 0 0 2 2 0 2 0 0 2 ; 2 0 0 2 0 2 2 0 0 2 2 0 2 0 0 2 0 2 2 0 2 0 0 2 2 0 0 2 0 2 2 0 ; ; PARAMETER ;p1 :90 deg pulse 1H (power pl1) ;p3 :90 deg pulse 13Ca on-resonance (:sp3) ;p4 :180 deg pulse 13Ca on-resonance (:sp4) ;p5 :90 deg pulse 15N (power pl3) ;p7 :90 deg pulse 13CO on-resonance (:sp7) ;p8 :180 deg pulse 13CO on-resonance (:sp8) ;p10 :180 deg pulse 13CO at 18000 Hz (:sp10) ;p12 :180 deg pulse 13Ca at -18000 Hz (:sp12) ;p15 :90 deg water flip back (:sp1, 1msec) ;p19 :90 deg flip back (80u; pl19) ;pcpd1 :90 deg 1H decoupling pulse (80u; pl19) ;pcpd3 :90 deg 15N decoupling pulse at pl16 ;CPDPRG3 = cpd program, use "garp" (NOT ASKED IN "ASED" !!) ;d1 :total relaxation delay ;d3 :WATERGATE d. (proteins: 210u at 600MHz) ;l0 :number of complex points in F1 ;pl1 :high power for protons ;pl2 :dummy power for carbon (120 dB) ;pl3 :high power for nitrogen ;pl10 :dummy power (120 dB) ;pl16 :power for 15N cpd-decoupling ;pl19 :power for 1H cpd-decoupling ;GRDPRROG = ma3crushwtg.r (NOT ASKED IN "ASED" !!) ;p21 :watergate gradient (900 usec) ;d21 :recovery for p21 (400 usec) ; set cnst21 = 30 (NOT ASKED IN "ASED" !!) ;p22 :first crusher gradient (1 msec) ;d22 :recovery for p22 (500 usec) ; set cnst22 = 40 (NOT ASKED IN "ASED" !!) ;p23 :second crusher gradient (1 msec) ;d23 :recovery for p23 (500 usec) ; set cnst22 = 40 (NOT ASKED IN "ASED" !!) ;p24 :third crusher gradient (1 msec) ;d24 :recovery for p24 (500 usec) ; set cnst22 = 40 (NOT ASKED IN "ASED" !!) ;FQ2LIST = pscaconh (NOT ASKED IN "ASED" !!) ;FQ3LIST = maproco15n (NOT ASKED IN "ASED" !!) ;ns :number of scans (ns*64) ;***** Sample Gradient File *************** ;p22 { (0) | (0)+sin(cnst22,100) | (0)+sin(cnst22,100) } ;40u { (0) | (0) | (0) } ; { (0) | (0) | (0) } ;p22 { (0)+sin(cnst23,100) | (0) | (0)+sin(cnst23,100) } ;40u { (0) | (0) | (0) } ; { (0) | (0) | (0) } ;p22 { (0) | (0) | (0)+sin(cnst24,100) } ;40u { (0) | (0) | (0) } ; { (0) | (0) | (0) } ;p21 { (0) | (0) | (0)+sin(cnst21,100) } ;40u { (0) | (0) | (0) } ; { (0) | (0) | (0) } ;p21 { (0) | (0) | (0)+sin(cnst21,100) } ;40u { (0) | (0) | (0) } ; { (0) | (0) | (0) } ;***** SAMPLE FREQUENCE LIST FILE *************** ;pscaconh : ;O 150.902749 ;BF ;8000 ;alpha region 55ppm ;26000 ;carbonyl 175ppm ;maproco15n : ;O 60.7954630 ;BF ;8200 ; on 135 ppm (Pro N) ;7250 ; on 120ppm