SPARKY list
Format of a sparky list
To be show properly in sparky and read by relax, the list should be of format
Assignment w1 w2
V2N-HN 128.055 8.874
F3N-HN 128.210 8.893
G4N-HN 105.080 8.509
The N should be standing first, and the w1 should be the corresponding ppm for nitrogen.