HCCN Dipolar Correlation

HCCN Dipolar Correlation (pulse sequence and simulation)
****** 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
******* Options *************************************
rho0              -I3x
observables        I2p
EulerAngles        rep168
n_gamma            16
line_broaden(Hz)   *
zerofill           *
FFT_dimensions     *
options            -dw13 -v1 -re
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