HCCN Dipolar Correlation
****** The System ***********************************
spectrometer(MHz) 500
spinning_freq(kHz) 10
channels C13 H1 N15
nuclei H1 C13 C13 N15
atomic_coords hccn.cor
cs_isotropic *
csa_parameters *
j_coupling *
quadrupole *
dip_switchboard *
csa_switchboard *
exchange_nuclei *
bond_len_nuclei *
bond_ang_nuclei *
tors_ang_nuclei (1 2 3 4)
groups_nuclei *
******* Pulse Sequence *****************************************
CHN 1
timing(usec) (100)21 100 1 100 (100)21 (100)x7 (12.5)21
power(kHz) 0 0 500 0 0 5.0 70.0
phase(deg) 0 0 0 0 0 0 0
freq_offs(kHz) 0 0 0 0 0 0 0
CHN 2
timing(usec) (100) 200 (100) 100 (12.5)
power(kHz) 100 100 100 100 65.574
phase(deg) 0 0 0 0 0
freq_offs(kHz) 0 0 0 0 45.826
CHN 3
timing(usec) (redor1.pp) 200 (redor2.pp) 100 (12.5)
power(kHz) * 0 * 0 0
phase(deg) * 0 * 0 0
freq_offs(kHz) * 0 * 0 0
******* Variables **********************************************
scan_par phi_1/-130:-10:-180/
spinning_freq=12.9
tsf_[1:5]=10/spinning_freq
psf_1_[1:4]=spinning_freq/10
psf_3_[1:4]=spinning_freq/10
power_1_5_1=80-spinning_freq
****************************************************************
fig_title="HCCN Correlation Experiment"
y_label="C$'\to\mathrm{C}_\alpha$"
******* Options ************************************************
rho0 -I3x
observables I2p
EulerAngles rep168
n_gamma 16
line_broaden(Hz) *
zerofill *
FFT_dimensions *
options -dw13 -re -py
hccn.cor
* N-Formyl-Met-Leu-Phe-OMe fragment 1.743 2.270 -2.387 Ha(L) 1.455 1.725 -1.459 Ca(L) 1.46 0.228 -1.790 C'(L) 0.858 -0.564 -0.895 N(F)
redor1.pp
50 0 0 0 1.00 500 0 0 50 0 0 0 1.00 500 90 0
redor2.pp
1.00 500 0 0 50 0 0 0 1.00 500 90 0 50 0 0 0