extended.yaml

residues:
  "G": 57.021464
  "A": 71.037114
  "S": 87.032028
  "P": 97.052764
  "V": 99.068414
  "T": 101.047670
  "C": 103.009185
  "L": 113.084064
  "I": 113.084064
  "N": 114.042927
  "D": 115.026943
  "Q": 128.058578
  "K": 128.094963
  "E": 129.042593
  "M": 131.040485
  "H": 137.058912
  "F": 147.068414
  "R": 156.101111
  "Y": 163.063329
  "W": 186.079313
  # Modifications
  "M(+15.99)": 147.035400 # Oxidation
  "C(+57.02)": 160.030649 # Cysteine alkylation
  "N(+.98)": 115.026943 # Deamidation
  "Q(+.98)": 129.042594 # Deamidation
  # Extended modifications
  # "F(+.98)": 148.052431 # Deamidation
  # Phospho modifications
  "S(+79.97)": 166.998028 # Phosphorylation + 79.966
  "T(+79.97)": 181.01367 # Phosphorylation + 79.966
  "Y(+79.97)": 243.029329 # Phosphorylation + 79.966
  # Terminal modifications
  "(+42.01)": 42.010565 # Acetylation
  "(+43.01)": 43.005814 # Carbamylation
  "(-17.03)": -17.026549 # NH3 loss
  "(+25.98)": 25.980265 # Carbamylation & NH3 loss