Example SHIFTY FORMAT: #NUM AA HA CA CB CO N HN 1 K 4.00 55.82 33.22 172.08 0.00 0.00 2 E 4.53 56.02 31.82 176.68 125.77 8.79 3 T 4.41 61.62 71.02 174.68 118.37 8.55 4 A 4.20 55.72 18.12 181.38 123.97 9.03 5 A 4.30 55.52 18.82 180.28 121.47 8.88 6 A 4.21 55.22 18.62 180.98 122.37 8.01 7 K 4.09 60.42 32.12 178.08 122.47 8.78 8 F 4.49 62.02 39.02 177.58 119.77 8.00 9 E 3.74 60.52 29.32 179.08 119.37 7.91 10 R 4.25 59.42 30.32 178.28 120.67 8.35 11 Q 3.82 59.02 29.72 175.58 111.57 8.63

Note: - there must not be any missing residues in the sequence; if a residue has no chemical shift data, enter 0.00 for all chemical shift values. - the file must have column names (preferebly the one shown above) in the first line starting with "#" symbol - in case of missing assignmment, the chemical shift entry column must have 0.00 for a specific atom