Notes 2017.09.06
To run an 15N heavy search, add (0.977035 * #nitogens) for each amino acid. If you need to account for carboxyamidomethylation, adjust the cysteine mass accordingly (57.021464 + 0.997035 + 0.997035 = 59.015534) as there is a nitrogen in cysteine and a nitrogen in the iodoacetamide derivative.
Here are the relevant 15N parameter settings:
add_G_glycine = 0.997035 # added to G - avg. 57.0513, mono. 57.02146 add_A_alanine = 0.997035 # added to A - avg. 71.0779, mono. 71.03711 add_S_serine = 0.997035 # added to S - avg. 87.0773, mono. 87.03203 add_P_proline = 0.997035 # added to P - avg. 97.1152, mono. 97.05276 add_V_valine = 0.997035 # added to V - avg. 99.1311, mono. 99.06841 add_T_threonine = 0.997035 # added to T - avg. 101.1038, mono. 101.04768 add_C_cysteine = 0.997035 # added to C - avg. 103.1429, mono. 103.00918 add_L_leucine = 0.997035 # added to L - avg. 113.1576, mono. 113.08406 add_I_isoleucine = 0.997035 # added to I - avg. 113.1576, mono. 113.08406 add_N_asparagine = 1.99407 # added to N - avg. 114.1026, mono. 114.04293 add_D_aspartic_acid = 0.997035 # added to D - avg. 115.0874, mono. 115.02694 add_Q_glutamine = 1.99407 # added to Q - avg. 128.1292, mono. 128.05858 add_K_lysine = 1.99407 # added to K - avg. 128.1723, mono. 128.09496 add_E_glutamic_acid = 0.997035 # added to E - avg. 129.1140, mono. 129.04259 add_M_methionine = 0.997035 # added to M - avg. 131.1961, mono. 131.04048 add_H_histidine = 2.99111 # added to H - avg. 137.1393, mono. 137.05891 add_F_phenylalanine = 0.997035 # added to F - avg. 147.1739, mono. 147.06841 add_U_selenocysteine = 0.997035 # added to U - avg. 150.3079, mono. 150.95363 add_R_arginine = 3.98814 # added to R - avg. 156.1857, mono. 156.10111 add_Y_tyrosine = 0.997035 # added to Y - avg. 163.0633, mono. 163.06333 add_W_tryptophan = 1.99407 # added to W - avg. 186.0793, mono. 186.07931 add_B_user_amino_acid = 0.0000 # added to B - avg. 0.0000, mono. 0.00000 add_J_user_amino_acid = 0.0000 # added to J - avg. 0.0000, mono. 0.00000 add_X_user_amino_acid = 0.0000 # added to X - avg. 0.0000, mono. 0.00000 add_Z_user_amino_acid = 0.0000 # added to Z - avg. 0.0000, mono. 0.00000
And for 13C (addition of 1.00335483 for each carbon):
add_G_glycine = 2.006710 # added to G - avg. 57.0513, mono. 57.02146 add_A_alanine = 3.010064 # added to A - avg. 71.0779, mono. 71.03711 add_S_serine = 3.010064 # added to S - avg. 87.0773, mono. 87.03203 add_P_proline = 5.016774 # added to P - avg. 97.1152, mono. 97.05276 add_V_valine = 5.016774 # added to V - avg. 99.1311, mono. 99.06841 add_T_threonine = 4.013419 # added to T - avg. 101.1038, mono. 101.04768 add_C_cysteine = 62.038238 # added to C - avg. 103.1429, mono. 103.00918 add_L_leucine = 6.020129 # added to L - avg. 113.1576, mono. 113.08406 add_I_isoleucine = 6.020129 # added to I - avg. 113.1576, mono. 113.08406 add_N_asparagine = 4.013419 # added to N - avg. 114.1026, mono. 114.04293 add_D_aspartic_acid = 4.013419 # added to D - avg. 115.0874, mono. 115.02694 add_Q_glutamine = 5.016774 # added to Q - avg. 128.1292, mono. 128.05858 add_K_lysine = 6.020129 # added to K - avg. 128.1723, mono. 128.09496 add_E_glutamic_acid = 5.016774 # added to E - avg. 129.1140, mono. 129.04259 add_M_methionine = 5.016774 # added to M - avg. 131.1961, mono. 131.04048 add_H_histidine = 6.020129 # added to H - avg. 137.1393, mono. 137.05891 add_F_phenylalanine = 9.030193 # added to F - avg. 147.1739, mono. 147.06841 add_U_selenocysteine = 3.010064 # added to U - avg. 150.0379, mono. 150.95363 add_R_arginine = 6.020129 # added to R - avg. 156.1857, mono. 156.10111 add_Y_tyrosine = 9.030193 # added to Y - avg. 163.0633, mono. 163.06333 add_W_tryptophan = 11.036903 # added to W - avg. 186.0793, mono. 186.07931 add_B_user_amino_acid = 0.0000 # added to B - avg. 0.0000, mono. 0.00000 add_J_user_amino_acid = 0.0000 # added to J - avg. 0.0000, mono. 0.00000 add_X_user_amino_acid = 0.0000 # added to X - avg. 0.0000, mono. 0.00000 add_Z_user_amino_acid = 0.0000 # added to Z - avg. 0.0000, mono. 0.00000