2D RFDR
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****** The System ************************************************** spectrometer(MHz) 400 spinning_freq(kHz) 8.0 channels C13 nuclei C13 C13 C13 C13 C13 C13 atomic_coords leu.cor cs_isotropic leu.cs csa_parameters * j_coupling leu.j quadrupole * dip_switchboard * csa_switchboard * exchange_nuclei * bond_len_nuclei * bond_ang_nuclei * tors_ang_nuclei * groups_nuclei * ******* Pulse Sequence ********************************************** CHN 1 timing(usec) (0)2048D1 0.5 (0) (rfdr8.pp)x2 (0) 0.5 (0)1024D2 power(kHz) 0 500 0 * 0 500 0 phase(deg) 0 270 0 * 0 90 0 freq_offs(kHz) 0 0 0 * 0 0 0 ******* Variables *************************************************** spinning_freq=8 taur=1000/spinning_freq pulse_1_1_1=taur/6 pulse_1_7_1=taur/3 tsf_4=taur/64 psf_1_4=1/tsf_4 zfilter_[3 5]=1 frs_1_[1 4 7]=[-16 -4 -16] fig_title="2D RFDR" ******* Options ***************************************************** rho0 F1x observables F1p EulerAngles rep100 n_gamma 12 line_broaden(Hz) 0 0 60 60 zerofill * FFT_dimensions 1c 2 options -re -py
rfdr8.pp
30 0 0 0 4 125 0 0 60 0 0 0 4 125 90 0 60 0 0 0 4 125 0 0 60 0 0 0 4 125 90 0 60 0 0 0 4 125 90 0 60 0 0 0 4 125 0 0 60 0 0 0 4 125 90 0 60 0 0 0 4 125 0 0 30 0 0 0
leu.cor
% Leu from N-Ac-VL crystal structure 3.734 6.733 2.822 C32/C' 3.522 7.597 1.589 C17/CA 4.043 6.870 0.351 C14/CB 4.541 7.765 -0.791 C12/CG 3.423 8.516 -1.497 C28/CD1 5.340 6.943 -1.789 C8 /CD2
leu.cs
% Chemical Shifts at 400MHz -11.732 C' 0.199 CA 2.154 CB 2.829 CG 3.543 CD1 3.637 CD2
leu.j
1 2 40 2 3 40 3 4 40 4 5 40 4 6 40