Patent ID: 7880468

Claim:
A method for assigning chemical shift values of γ-, δ-, and ε-aliphatic sidechain protons, 1 H γ/δ/ε , and chemical shift values of γ-, δ-, and ε-aliphatic sidechain carbons located peripheral to β-carbons, 13 C γ/δ/ε , of a protein molecule comprising: providing a protein sample; conducting a set of Fourier transformation (FT) nuclear magnetic resonance (NMR) experiments on the protein sample comprising: (1) a (5,3)D[ HCC ,CH—COSY] FT NMR experiment to measure and connect the chemical shift values of a proton of amino acid residue i−1, 1 H i−1 , a carbon of amino acid residue i−1 coupled to 1 H i−1 , 13 C i−1 , a carbon coupled to 13 C i−1 , 13 C i−1 coupled , and a proton coupled to 13 C i−1 coupled , 1 H i−1 coupled , and (2) a (5,3)D [ HBHACBCACA (CO)NHN] FT NMR experiment to measure and connect the chemical shift values of α- and β-protons of amino acid residue i−1, 1 H α/β i−1 , and α- and β-carbons of amino acid residue i−1, 13 C α/β i−1 ; and obtaining assignments of the chemical shift values of 1 H γ/δ/ε and 13 C γ/δ/ε by (i) identifying 1 H i−1 , 13 C i−1 , 13 C i−1 coupled , and 1 H i−1 coupled measured by said (5,3)D [ HCC ,CH—COSY] FT NMR experiment as 1 H α i−1 , 13 C α i−1 , 13 C β i−1 , and 1 H β i−1 , respectively, and thereby matching the chemical shift values of 1 H α/β i−1 and 13 C α/β i−1 with the chemical shift values of 1 H α/β i−1 and 13 C α/β i−1 measured by said (5,3)D [ HBHACBCACA (CO)NHN] FT NMR experiment, and (ii) using the chemical shift values of 1 H α/β i−1 and 13 C α/β i−1 in conjunction with other chemical shift connections from said (5,3)D [ HCC ,CH—COSY] FT NMR experiment to measure the chemical shift values of 1 H γ/δ/ε i−1 and 13 C γ/δ/ε i−1 .