Protein-specific HNCA experiment (Figure 7.31a of "Protein NMR Spectroscopy", 2nd edition) using pre-set values of J-couplings used in the magnetisation transfer stages. The simulation uses the bidirectional propagation method described in (http://dx.doi.org/10.1016/j.jmr.2014.04.002). The sequence is hard-wired to work on 1H,13C,15N proteins and uses PDB labels to select spins that will be affected by otherwise ideal pulses.
parameters.npoints - a vector of three integers giving the number of points in the three temporal dimensions, ordered as [t1 t2 t3]. parameters.sweep - a vector of three real numbers giving the sweep widths in the three frequen- cy dimensions, ordered as [f1 f2 f3]. H - Hamiltonian matrix, received from context function R - relaxation superoperator, received from context function K - kinetics superoperator, received from context function
fid - three-dimensional free induction decay
HNCA simulation (3D and three projections) of GB1 protein (examples/nmr_proteins/hnca_gb1.m):
- Dimensions: F1 is 1H, F2 is 13C, F3 is 15N.
- Spin labels must be set to PDB atom IDs ('CA', 'HA', etc.) in sys.labels for this sequence to work properly.
- 15N-1H J-coupling is hard-coded to 92 Hz. Edit the code to change.