################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25123 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ubiquitin_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 PDSD . . . 25123 1 3 NCA . . . 25123 1 4 NCO . . . 25123 1 6 NCACX . . . 25123 1 7 NCOCX . . . 25123 1 8 PDSD . . . 25123 1 11 NCA . . . 25123 1 12 PDSD . . . 25123 1 15 NCA . . . 25123 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 170.858 0.098 . 1 . . . A 1 MET C . 25123 1 2 . 1 1 1 1 MET CA C 13 55.211 0.044 . 1 . . . A 1 MET CA . 25123 1 3 . 1 1 1 1 MET CB C 13 34.153 0.016 . 1 . . . A 1 MET CB . 25123 1 4 . 1 1 1 1 MET CG C 13 31.304 0.014 . 1 . . . A 1 MET CG . 25123 1 5 . 1 1 1 1 MET CE C 13 18.441 0.031 . 1 . . . A 1 MET CE . 25123 1 6 . 1 1 1 1 MET N N 15 38.941 0.000 . 1 . . . A 1 MET N . 25123 1 7 . 1 1 2 2 GLN C C 13 175.129 0.047 . 1 . . . A 2 GLN C . 25123 1 8 . 1 1 2 2 GLN CA C 13 54.151 0.060 . 1 . . . A 2 GLN CA . 25123 1 9 . 1 1 2 2 GLN CB C 13 31.512 0.017 . 1 . . . A 2 GLN CB . 25123 1 10 . 1 1 2 2 GLN CG C 13 35.340 0.035 . 1 . . . A 2 GLN CG . 25123 1 11 . 1 1 2 2 GLN CD C 13 180.089 0.010 . 1 . . . A 2 GLN CD . 25123 1 12 . 1 1 2 2 GLN N N 15 124.995 0.134 . 1 . . . A 2 GLN N . 25123 1 13 . 1 1 3 3 ILE C C 13 172.341 0.080 . 1 . . . A 3 ILE C . 25123 1 14 . 1 1 3 3 ILE CA C 13 58.782 0.049 . 1 . . . A 3 ILE CA . 25123 1 15 . 1 1 3 3 ILE CB C 13 41.724 0.087 . 1 . . . A 3 ILE CB . 25123 1 16 . 1 1 3 3 ILE CG1 C 13 25.164 0.047 . 1 . . . A 3 ILE CG1 . 25123 1 17 . 1 1 3 3 ILE CG2 C 13 18.215 0.048 . 1 . . . A 3 ILE CG2 . 25123 1 18 . 1 1 3 3 ILE CD1 C 13 14.081 0.042 . 1 . . . A 3 ILE CD1 . 25123 1 19 . 1 1 3 3 ILE N N 15 115.187 0.391 . 1 . . . A 3 ILE N . 25123 1 20 . 1 1 4 4 PHE C C 13 175.271 0.008 . 1 . . . A 4 PHE C . 25123 1 21 . 1 1 4 4 PHE CA C 13 54.724 0.052 . 1 . . . A 4 PHE CA . 25123 1 22 . 1 1 4 4 PHE CB C 13 41.420 0.052 . 1 . . . A 4 PHE CB . 25123 1 23 . 1 1 4 4 PHE CG C 13 139.156 0.030 . 1 . . . A 4 PHE CG . 25123 1 24 . 1 1 4 4 PHE CD1 C 13 132.083 0.099 . 3 . . . A 4 PHE CD1 . 25123 1 25 . 1 1 4 4 PHE CD2 C 13 132.083 0.099 . 3 . . . A 4 PHE CD2 . 25123 1 26 . 1 1 4 4 PHE CE1 C 13 130.956 0.055 . 3 . . . A 4 PHE CE1 . 25123 1 27 . 1 1 4 4 PHE CE2 C 13 130.956 0.055 . 3 . . . A 4 PHE CE2 . 25123 1 28 . 1 1 4 4 PHE CZ C 13 127.057 0.011 . 1 . . . A 4 PHE CZ . 25123 1 29 . 1 1 4 4 PHE N N 15 119.217 0.050 . 1 . . . A 4 PHE N . 25123 1 30 . 1 1 5 5 VAL C C 13 175.475 0.038 . 1 . . . A 5 VAL C . 25123 1 31 . 1 1 5 5 VAL CA C 13 59.985 0.064 . 1 . . . A 5 VAL CA . 25123 1 32 . 1 1 5 5 VAL CB C 13 34.746 0.116 . 1 . . . A 5 VAL CB . 25123 1 33 . 1 1 5 5 VAL CG1 C 13 21.100 0.041 . 1 . . . A 5 VAL CG1 . 25123 1 34 . 1 1 5 5 VAL CG2 C 13 20.588 0.045 . 1 . . . A 5 VAL CG2 . 25123 1 35 . 1 1 5 5 VAL N N 15 120.981 0.076 . 1 . . . A 5 VAL N . 25123 1 36 . 1 1 6 6 LYS C C 13 177.162 0.106 . 1 . . . A 6 LYS C . 25123 1 37 . 1 1 6 6 LYS CA C 13 53.411 0.061 . 1 . . . A 6 LYS CA . 25123 1 38 . 1 1 6 6 LYS CB C 13 33.816 0.031 . 1 . . . A 6 LYS CB . 25123 1 39 . 1 1 6 6 LYS CG C 13 24.535 0.013 . 1 . . . A 6 LYS CG . 25123 1 40 . 1 1 6 6 LYS CD C 13 29.449 0.000 . 1 . . . A 6 LYS CD . 25123 1 41 . 1 1 6 6 LYS N N 15 126.148 0.071 . 1 . . . A 6 LYS N . 25123 1 42 . 1 1 7 7 THR C C 13 177.658 0.060 . 1 . . . A 7 THR C . 25123 1 43 . 1 1 7 7 THR CA C 13 60.275 0.041 . 1 . . . A 7 THR CA . 25123 1 44 . 1 1 7 7 THR CB C 13 70.196 0.078 . 1 . . . A 7 THR CB . 25123 1 45 . 1 1 7 7 THR CG2 C 13 21.010 0.051 . 1 . . . A 7 THR CG2 . 25123 1 46 . 1 1 7 7 THR N N 15 112.835 0.042 . 1 . . . A 7 THR N . 25123 1 47 . 1 1 8 8 LEU C C 13 177.371 0.028 . 1 . . . A 8 LEU C . 25123 1 48 . 1 1 8 8 LEU CA C 13 57.281 0.047 . 1 . . . A 8 LEU CA . 25123 1 49 . 1 1 8 8 LEU CB C 13 42.393 0.058 . 1 . . . A 8 LEU CB . 25123 1 50 . 1 1 8 8 LEU CG C 13 27.368 0.071 . 1 . . . A 8 LEU CG . 25123 1 51 . 1 1 8 8 LEU CD1 C 13 28.516 0.067 . 1 . . . A 8 LEU CD1 . 25123 1 52 . 1 1 8 8 LEU CD2 C 13 23.856 0.036 . 1 . . . A 8 LEU CD2 . 25123 1 53 . 1 1 8 8 LEU N N 15 119.266 0.104 . 1 . . . A 8 LEU N . 25123 1 54 . 1 1 9 9 THR C C 13 175.626 0.037 . 1 . . . A 9 THR C . 25123 1 55 . 1 1 9 9 THR CA C 13 60.939 0.067 . 1 . . . A 9 THR CA . 25123 1 56 . 1 1 9 9 THR CB C 13 69.319 0.099 . 1 . . . A 9 THR CB . 25123 1 57 . 1 1 9 9 THR CG2 C 13 23.024 0.106 . 1 . . . A 9 THR CG2 . 25123 1 58 . 1 1 9 9 THR N N 15 102.533 0.103 . 1 . . . A 9 THR N . 25123 1 59 . 1 1 10 10 GLY C C 13 173.399 0.093 . 1 . . . A 10 GLY C . 25123 1 60 . 1 1 10 10 GLY CA C 13 44.919 0.054 . 1 . . . A 10 GLY CA . 25123 1 61 . 1 1 10 10 GLY N N 15 109.378 0.091 . 1 . . . A 10 GLY N . 25123 1 62 . 1 1 11 11 LYS C C 13 175.345 0.067 . 1 . . . A 11 LYS C . 25123 1 63 . 1 1 11 11 LYS CA C 13 56.455 0.061 . 1 . . . A 11 LYS CA . 25123 1 64 . 1 1 11 11 LYS CB C 13 32.909 0.060 . 1 . . . A 11 LYS CB . 25123 1 65 . 1 1 11 11 LYS CG C 13 25.205 0.052 . 1 . . . A 11 LYS CG . 25123 1 66 . 1 1 11 11 LYS CD C 13 29.429 0.042 . 1 . . . A 11 LYS CD . 25123 1 67 . 1 1 11 11 LYS CE C 13 42.624 0.033 . 1 . . . A 11 LYS CE . 25123 1 68 . 1 1 11 11 LYS N N 15 122.170 0.063 . 1 . . . A 11 LYS N . 25123 1 69 . 1 1 12 12 THR C C 13 174.369 0.040 . 1 . . . A 12 THR C . 25123 1 70 . 1 1 12 12 THR CA C 13 62.752 0.071 . 1 . . . A 12 THR CA . 25123 1 71 . 1 1 12 12 THR CB C 13 69.600 0.073 . 1 . . . A 12 THR CB . 25123 1 72 . 1 1 12 12 THR CG2 C 13 22.660 0.027 . 1 . . . A 12 THR CG2 . 25123 1 73 . 1 1 12 12 THR N N 15 119.755 0.095 . 1 . . . A 12 THR N . 25123 1 74 . 1 1 13 13 ILE C C 13 175.206 0.055 . 1 . . . A 13 ILE C . 25123 1 75 . 1 1 13 13 ILE CA C 13 59.786 0.076 . 1 . . . A 13 ILE CA . 25123 1 76 . 1 1 13 13 ILE CB C 13 40.425 0.092 . 1 . . . A 13 ILE CB . 25123 1 77 . 1 1 13 13 ILE CG1 C 13 26.605 0.081 . 1 . . . A 13 ILE CG1 . 25123 1 78 . 1 1 13 13 ILE CG2 C 13 18.135 0.061 . 1 . . . A 13 ILE CG2 . 25123 1 79 . 1 1 13 13 ILE CD1 C 13 14.755 0.102 . 1 . . . A 13 ILE CD1 . 25123 1 80 . 1 1 13 13 ILE N N 15 128.577 0.050 . 1 . . . A 13 ILE N . 25123 1 81 . 1 1 14 14 THR C C 13 174.021 0.031 . 1 . . . A 14 THR C . 25123 1 82 . 1 1 14 14 THR CA C 13 62.575 0.051 . 1 . . . A 14 THR CA . 25123 1 83 . 1 1 14 14 THR CB C 13 69.456 0.065 . 1 . . . A 14 THR CB . 25123 1 84 . 1 1 14 14 THR CG2 C 13 22.358 0.055 . 1 . . . A 14 THR CG2 . 25123 1 85 . 1 1 14 14 THR N N 15 124.443 0.176 . 1 . . . A 14 THR N . 25123 1 86 . 1 1 15 15 LEU C C 13 174.061 0.051 . 1 . . . A 15 LEU C . 25123 1 87 . 1 1 15 15 LEU CA C 13 52.527 0.057 . 1 . . . A 15 LEU CA . 25123 1 88 . 1 1 15 15 LEU CB C 13 46.336 0.068 . 1 . . . A 15 LEU CB . 25123 1 89 . 1 1 15 15 LEU CG C 13 26.795 0.035 . 1 . . . A 15 LEU CG . 25123 1 90 . 1 1 15 15 LEU CD1 C 13 27.599 0.081 . 1 . . . A 15 LEU CD1 . 25123 1 91 . 1 1 15 15 LEU CD2 C 13 24.527 0.063 . 1 . . . A 15 LEU CD2 . 25123 1 92 . 1 1 15 15 LEU N N 15 125.201 0.075 . 1 . . . A 15 LEU N . 25123 1 93 . 1 1 16 16 GLU C C 13 175.078 0.052 . 1 . . . A 16 GLU C . 25123 1 94 . 1 1 16 16 GLU CA C 13 54.227 0.043 . 1 . . . A 16 GLU CA . 25123 1 95 . 1 1 16 16 GLU CB C 13 30.420 0.040 . 1 . . . A 16 GLU CB . 25123 1 96 . 1 1 16 16 GLU CG C 13 36.703 0.018 . 1 . . . A 16 GLU CG . 25123 1 97 . 1 1 16 16 GLU CD C 13 178.661 0.002 . 1 . . . A 16 GLU CD . 25123 1 98 . 1 1 16 16 GLU N N 15 123.386 0.084 . 1 . . . A 16 GLU N . 25123 1 99 . 1 1 17 17 VAL C C 13 175.053 0.041 . 1 . . . A 17 VAL C . 25123 1 100 . 1 1 17 17 VAL CA C 13 58.614 0.060 . 1 . . . A 17 VAL CA . 25123 1 101 . 1 1 17 17 VAL CB C 13 36.538 0.042 . 1 . . . A 17 VAL CB . 25123 1 102 . 1 1 17 17 VAL CG1 C 13 22.492 0.045 . 1 . . . A 17 VAL CG1 . 25123 1 103 . 1 1 17 17 VAL CG2 C 13 19.148 0.055 . 1 . . . A 17 VAL CG2 . 25123 1 104 . 1 1 17 17 VAL N N 15 118.752 0.091 . 1 . . . A 17 VAL N . 25123 1 105 . 1 1 18 18 GLU C C 13 175.268 0.015 . 1 . . . A 18 GLU C . 25123 1 106 . 1 1 18 18 GLU CA C 13 54.699 0.087 . 1 . . . A 18 GLU CA . 25123 1 107 . 1 1 18 18 GLU CB C 13 29.855 0.051 . 1 . . . A 18 GLU CB . 25123 1 108 . 1 1 18 18 GLU CG C 13 36.994 0.099 . 1 . . . A 18 GLU CG . 25123 1 109 . 1 1 18 18 GLU CD C 13 185.392 0.110 . 1 . . . A 18 GLU CD . 25123 1 110 . 1 1 18 18 GLU N N 15 119.002 0.113 . 1 . . . A 18 GLU N . 25123 1 111 . 1 1 19 19 PRO C C 13 177.480 0.137 . 1 . . . A 19 PRO C . 25123 1 112 . 1 1 19 19 PRO CA C 13 65.786 0.092 . 1 . . . A 19 PRO CA . 25123 1 113 . 1 1 19 19 PRO CB C 13 32.203 0.048 . 1 . . . A 19 PRO CB . 25123 1 114 . 1 1 19 19 PRO CG C 13 27.831 0.046 . 1 . . . A 19 PRO CG . 25123 1 115 . 1 1 19 19 PRO CD C 13 49.847 0.041 . 1 . . . A 19 PRO CD . 25123 1 116 . 1 1 19 19 PRO N N 15 133.711 0.121 . 1 . . . A 19 PRO N . 25123 1 117 . 1 1 20 20 SER C C 13 173.331 0.046 . 1 . . . A 20 SER C . 25123 1 118 . 1 1 20 20 SER CA C 13 57.116 0.073 . 1 . . . A 20 SER CA . 25123 1 119 . 1 1 20 20 SER CB C 13 61.298 0.053 . 1 . . . A 20 SER CB . 25123 1 120 . 1 1 20 20 SER N N 15 108.760 0.095 . 1 . . . A 20 SER N . 25123 1 121 . 1 1 21 21 ASP C C 13 176.559 0.031 . 1 . . . A 21 ASP C . 25123 1 122 . 1 1 21 21 ASP CA C 13 56.652 0.074 . 1 . . . A 21 ASP CA . 25123 1 123 . 1 1 21 21 ASP CB C 13 38.542 0.050 . 1 . . . A 21 ASP CB . 25123 1 124 . 1 1 21 21 ASP CG C 13 181.457 0.106 . 1 . . . A 21 ASP CG . 25123 1 125 . 1 1 21 21 ASP N N 15 122.289 0.094 . 1 . . . A 21 ASP N . 25123 1 126 . 1 1 22 22 THR C C 13 176.291 0.099 . 1 . . . A 22 THR C . 25123 1 127 . 1 1 22 22 THR CA C 13 59.648 0.047 . 1 . . . A 22 THR CA . 25123 1 128 . 1 1 22 22 THR CB C 13 70.782 0.053 . 1 . . . A 22 THR CB . 25123 1 129 . 1 1 22 22 THR CG2 C 13 21.967 0.083 . 1 . . . A 22 THR CG2 . 25123 1 130 . 1 1 22 22 THR N N 15 106.584 0.148 . 1 . . . A 22 THR N . 25123 1 131 . 1 1 23 23 ILE C C 13 179.237 0.043 . 1 . . . A 23 ILE C . 25123 1 132 . 1 1 23 23 ILE CA C 13 61.844 0.062 . 1 . . . A 23 ILE CA . 25123 1 133 . 1 1 23 23 ILE CB C 13 33.283 0.050 . 1 . . . A 23 ILE CB . 25123 1 134 . 1 1 23 23 ILE CG1 C 13 27.713 0.050 . 1 . . . A 23 ILE CG1 . 25123 1 135 . 1 1 23 23 ILE CG2 C 13 17.416 0.045 . 1 . . . A 23 ILE CG2 . 25123 1 136 . 1 1 23 23 ILE CD1 C 13 9.455 0.064 . 1 . . . A 23 ILE CD1 . 25123 1 137 . 1 1 23 23 ILE N N 15 121.744 0.098 . 1 . . . A 23 ILE N . 25123 1 138 . 1 1 24 24 GLU C C 13 178.873 0.062 . 1 . . . A 24 GLU C . 25123 1 139 . 1 1 24 24 GLU CA C 13 58.974 0.061 . 1 . . . A 24 GLU CA . 25123 1 140 . 1 1 24 24 GLU CB C 13 30.615 0.494 . 1 . . . A 24 GLU CB . 25123 1 141 . 1 1 24 24 GLU CG C 13 33.667 0.047 . 1 . . . A 24 GLU CG . 25123 1 142 . 1 1 24 24 GLU CD C 13 183.950 0.036 . 1 . . . A 24 GLU CD . 25123 1 143 . 1 1 24 24 GLU N N 15 123.433 0.054 . 1 . . . A 24 GLU N . 25123 1 144 . 1 1 25 25 ASN C C 13 180.408 0.089 . 1 . . . A 25 ASN C . 25123 1 145 . 1 1 25 25 ASN CA C 13 55.296 0.033 . 1 . . . A 25 ASN CA . 25123 1 146 . 1 1 25 25 ASN CB C 13 36.619 0.049 . 1 . . . A 25 ASN CB . 25123 1 147 . 1 1 25 25 ASN CG C 13 174.216 0.057 . 1 . . . A 25 ASN CG . 25123 1 148 . 1 1 25 25 ASN N N 15 121.016 0.103 . 1 . . . A 25 ASN N . 25123 1 149 . 1 1 26 26 VAL C C 13 177.380 0.083 . 1 . . . A 26 VAL C . 25123 1 150 . 1 1 26 26 VAL CA C 13 67.722 0.079 . 1 . . . A 26 VAL CA . 25123 1 151 . 1 1 26 26 VAL CB C 13 30.996 0.051 . 1 . . . A 26 VAL CB . 25123 1 152 . 1 1 26 26 VAL CG1 C 13 20.742 0.056 . 1 . . . A 26 VAL CG1 . 25123 1 153 . 1 1 26 26 VAL CG2 C 13 24.039 0.055 . 1 . . . A 26 VAL CG2 . 25123 1 154 . 1 1 26 26 VAL N N 15 124.407 0.090 . 1 . . . A 26 VAL N . 25123 1 155 . 1 1 27 27 LYS C C 13 180.822 0.131 . 1 . . . A 27 LYS C . 25123 1 156 . 1 1 27 27 LYS CA C 13 58.952 0.041 . 1 . . . A 27 LYS CA . 25123 1 157 . 1 1 27 27 LYS CB C 13 34.687 0.072 . 1 . . . A 27 LYS CB . 25123 1 158 . 1 1 27 27 LYS CG C 13 25.878 0.043 . 1 . . . A 27 LYS CG . 25123 1 159 . 1 1 27 27 LYS CD C 13 31.074 0.025 . 1 . . . A 27 LYS CD . 25123 1 160 . 1 1 27 27 LYS CE C 13 42.784 0.044 . 1 . . . A 27 LYS CE . 25123 1 161 . 1 1 27 27 LYS N N 15 119.991 0.045 . 1 . . . A 27 LYS N . 25123 1 162 . 1 1 28 28 ALA C C 13 179.943 0.127 . 1 . . . A 28 ALA C . 25123 1 163 . 1 1 28 28 ALA CA C 13 54.994 0.062 . 1 . . . A 28 ALA CA . 25123 1 164 . 1 1 28 28 ALA CB C 13 18.446 0.061 . 1 . . . A 28 ALA CB . 25123 1 165 . 1 1 28 28 ALA N N 15 122.173 0.059 . 1 . . . A 28 ALA N . 25123 1 166 . 1 1 29 29 LYS C C 13 180.778 0.158 . 1 . . . A 29 LYS C . 25123 1 167 . 1 1 29 29 LYS CA C 13 59.260 0.040 . 1 . . . A 29 LYS CA . 25123 1 168 . 1 1 29 29 LYS CB C 13 33.897 0.046 . 1 . . . A 29 LYS CB . 25123 1 169 . 1 1 29 29 LYS CG C 13 26.425 0.037 . 1 . . . A 29 LYS CG . 25123 1 170 . 1 1 29 29 LYS CD C 13 30.447 0.022 . 1 . . . A 29 LYS CD . 25123 1 171 . 1 1 29 29 LYS CE C 13 43.096 0.069 . 1 . . . A 29 LYS CE . 25123 1 172 . 1 1 29 29 LYS N N 15 118.608 0.065 . 1 . . . A 29 LYS N . 25123 1 173 . 1 1 30 30 ILE C C 13 177.453 0.081 . 1 . . . A 30 ILE C . 25123 1 174 . 1 1 30 30 ILE CA C 13 66.346 0.076 . 1 . . . A 30 ILE CA . 25123 1 175 . 1 1 30 30 ILE CB C 13 36.850 0.056 . 1 . . . A 30 ILE CB . 25123 1 176 . 1 1 30 30 ILE CG1 C 13 30.741 0.041 . 1 . . . A 30 ILE CG1 . 25123 1 177 . 1 1 30 30 ILE CG2 C 13 16.929 0.066 . 1 . . . A 30 ILE CG2 . 25123 1 178 . 1 1 30 30 ILE CD1 C 13 15.648 0.068 . 1 . . . A 30 ILE CD1 . 25123 1 179 . 1 1 30 30 ILE N N 15 122.662 0.110 . 1 . . . A 30 ILE N . 25123 1 180 . 1 1 31 31 GLN C C 13 179.163 0.101 . 1 . . . A 31 GLN C . 25123 1 181 . 1 1 31 31 GLN CA C 13 59.483 0.043 . 1 . . . A 31 GLN CA . 25123 1 182 . 1 1 31 31 GLN CB C 13 28.051 0.049 . 1 . . . A 31 GLN CB . 25123 1 183 . 1 1 31 31 GLN CG C 13 33.736 0.051 . 1 . . . A 31 GLN CG . 25123 1 184 . 1 1 31 31 GLN CD C 13 180.024 0.040 . 1 . . . A 31 GLN CD . 25123 1 185 . 1 1 31 31 GLN N N 15 122.791 0.126 . 1 . . . A 31 GLN N . 25123 1 186 . 1 1 32 32 ASP C C 13 177.594 0.098 . 1 . . . A 32 ASP C . 25123 1 187 . 1 1 32 32 ASP CA C 13 57.854 0.047 . 1 . . . A 32 ASP CA . 25123 1 188 . 1 1 32 32 ASP CB C 13 38.739 0.051 . 1 . . . A 32 ASP CB . 25123 1 189 . 1 1 32 32 ASP CG C 13 178.783 0.086 . 1 . . . A 32 ASP CG . 25123 1 190 . 1 1 32 32 ASP N N 15 121.376 0.091 . 1 . . . A 32 ASP N . 25123 1 191 . 1 1 33 33 LYS C C 13 178.061 0.111 . 1 . . . A 33 LYS C . 25123 1 192 . 1 1 33 33 LYS CA C 13 59.494 0.038 . 1 . . . A 33 LYS CA . 25123 1 193 . 1 1 33 33 LYS CB C 13 34.403 0.034 . 1 . . . A 33 LYS CB . 25123 1 194 . 1 1 33 33 LYS CG C 13 25.525 0.046 . 1 . . . A 33 LYS CG . 25123 1 195 . 1 1 33 33 LYS CD C 13 29.886 0.037 . 1 . . . A 33 LYS CD . 25123 1 196 . 1 1 33 33 LYS CE C 13 42.745 0.029 . 1 . . . A 33 LYS CE . 25123 1 197 . 1 1 33 33 LYS N N 15 119.963 0.079 . 1 . . . A 33 LYS N . 25123 1 198 . 1 1 34 34 GLU C C 13 177.386 0.028 . 1 . . . A 34 GLU C . 25123 1 199 . 1 1 34 34 GLU CA C 13 55.006 0.071 . 1 . . . A 34 GLU CA . 25123 1 200 . 1 1 34 34 GLU CB C 13 33.307 0.072 . 1 . . . A 34 GLU CB . 25123 1 201 . 1 1 34 34 GLU CG C 13 34.917 0.036 . 1 . . . A 34 GLU CG . 25123 1 202 . 1 1 34 34 GLU N N 15 112.029 0.064 . 1 . . . A 34 GLU N . 25123 1 203 . 1 1 35 35 GLY C C 13 173.934 0.057 . 1 . . . A 35 GLY C . 25123 1 204 . 1 1 35 35 GLY CA C 13 45.964 0.153 . 1 . . . A 35 GLY CA . 25123 1 205 . 1 1 35 35 GLY N N 15 109.223 0.124 . 1 . . . A 35 GLY N . 25123 1 206 . 1 1 36 36 ILE C C 13 173.453 0.091 . 1 . . . A 36 ILE C . 25123 1 207 . 1 1 36 36 ILE CA C 13 57.734 0.093 . 1 . . . A 36 ILE CA . 25123 1 208 . 1 1 36 36 ILE CB C 13 40.420 0.084 . 1 . . . A 36 ILE CB . 25123 1 209 . 1 1 36 36 ILE CG1 C 13 27.664 0.019 . 1 . . . A 36 ILE CG1 . 25123 1 210 . 1 1 36 36 ILE CG2 C 13 17.960 0.031 . 1 . . . A 36 ILE CG2 . 25123 1 211 . 1 1 36 36 ILE CD1 C 13 13.818 0.111 . 1 . . . A 36 ILE CD1 . 25123 1 212 . 1 1 36 36 ILE N N 15 119.661 0.423 . 1 . . . A 36 ILE N . 25123 1 213 . 1 1 37 37 PRO C C 13 176.699 0.079 . 1 . . . A 37 PRO C . 25123 1 214 . 1 1 37 37 PRO CA C 13 61.756 0.064 . 1 . . . A 37 PRO CA . 25123 1 215 . 1 1 37 37 PRO CB C 13 32.060 0.044 . 1 . . . A 37 PRO CB . 25123 1 216 . 1 1 37 37 PRO CG C 13 28.459 0.034 . 1 . . . A 37 PRO CG . 25123 1 217 . 1 1 37 37 PRO CD C 13 51.372 0.058 . 1 . . . A 37 PRO CD . 25123 1 218 . 1 1 37 37 PRO N N 15 142.589 0.000 . 1 . . . A 37 PRO N . 25123 1 219 . 1 1 38 38 PRO C C 13 178.414 0.131 . 1 . . . A 38 PRO C . 25123 1 220 . 1 1 38 38 PRO CA C 13 66.435 0.052 . 1 . . . A 38 PRO CA . 25123 1 221 . 1 1 38 38 PRO CB C 13 33.006 0.041 . 1 . . . A 38 PRO CB . 25123 1 222 . 1 1 38 38 PRO CG C 13 28.136 0.056 . 1 . . . A 38 PRO CG . 25123 1 223 . 1 1 38 38 PRO CD C 13 51.393 0.040 . 1 . . . A 38 PRO CD . 25123 1 224 . 1 1 38 38 PRO N N 15 136.594 0.078 . 1 . . . A 38 PRO N . 25123 1 225 . 1 1 39 39 ASP C C 13 177.285 0.073 . 1 . . . A 39 ASP C . 25123 1 226 . 1 1 39 39 ASP CA C 13 55.350 0.063 . 1 . . . A 39 ASP CA . 25123 1 227 . 1 1 39 39 ASP CB C 13 38.299 0.080 . 1 . . . A 39 ASP CB . 25123 1 228 . 1 1 39 39 ASP CG C 13 180.294 0.053 . 1 . . . A 39 ASP CG . 25123 1 229 . 1 1 39 39 ASP N N 15 114.957 0.116 . 1 . . . A 39 ASP N . 25123 1 230 . 1 1 40 40 GLN C C 13 175.906 0.030 . 1 . . . A 40 GLN C . 25123 1 231 . 1 1 40 40 GLN CA C 13 55.230 0.048 . 1 . . . A 40 GLN CA . 25123 1 232 . 1 1 40 40 GLN CB C 13 29.502 0.042 . 1 . . . A 40 GLN CB . 25123 1 233 . 1 1 40 40 GLN CG C 13 34.039 0.032 . 1 . . . A 40 GLN CG . 25123 1 234 . 1 1 40 40 GLN CD C 13 179.220 0.005 . 1 . . . A 40 GLN CD . 25123 1 235 . 1 1 40 40 GLN N N 15 117.762 0.100 . 1 . . . A 40 GLN N . 25123 1 236 . 1 1 41 41 GLN C C 13 174.686 0.050 . 1 . . . A 41 GLN C . 25123 1 237 . 1 1 41 41 GLN CA C 13 55.891 0.034 . 1 . . . A 41 GLN CA . 25123 1 238 . 1 1 41 41 GLN CB C 13 30.670 0.026 . 1 . . . A 41 GLN CB . 25123 1 239 . 1 1 41 41 GLN CG C 13 33.733 0.016 . 1 . . . A 41 GLN CG . 25123 1 240 . 1 1 41 41 GLN N N 15 120.681 0.026 . 1 . . . A 41 GLN N . 25123 1 241 . 1 1 42 42 ARG C C 13 173.531 0.067 . 1 . . . A 42 ARG C . 25123 1 242 . 1 1 42 42 ARG CA C 13 55.148 0.016 . 1 . . . A 42 ARG CA . 25123 1 243 . 1 1 42 42 ARG CB C 13 30.753 0.050 . 1 . . . A 42 ARG CB . 25123 1 244 . 1 1 42 42 ARG CG C 13 27.760 0.009 . 1 . . . A 42 ARG CG . 25123 1 245 . 1 1 42 42 ARG N N 15 125.708 0.054 . 1 . . . A 42 ARG N . 25123 1 246 . 1 1 43 43 LEU C C 13 175.631 0.051 . 1 . . . A 43 LEU C . 25123 1 247 . 1 1 43 43 LEU CA C 13 53.257 0.057 . 1 . . . A 43 LEU CA . 25123 1 248 . 1 1 43 43 LEU CB C 13 47.381 0.051 . 1 . . . A 43 LEU CB . 25123 1 249 . 1 1 43 43 LEU CG C 13 27.521 0.063 . 1 . . . A 43 LEU CG . 25123 1 250 . 1 1 43 43 LEU CD1 C 13 25.431 0.119 . 1 . . . A 43 LEU CD1 . 25123 1 251 . 1 1 43 43 LEU CD2 C 13 26.445 0.061 . 1 . . . A 43 LEU CD2 . 25123 1 252 . 1 1 43 43 LEU N N 15 126.959 0.073 . 1 . . . A 43 LEU N . 25123 1 253 . 1 1 44 44 ILE C C 13 176.098 0.039 . 1 . . . A 44 ILE C . 25123 1 254 . 1 1 44 44 ILE CA C 13 58.211 0.106 . 1 . . . A 44 ILE CA . 25123 1 255 . 1 1 44 44 ILE CB C 13 41.466 0.091 . 1 . . . A 44 ILE CB . 25123 1 256 . 1 1 44 44 ILE CG1 C 13 27.669 0.033 . 1 . . . A 44 ILE CG1 . 25123 1 257 . 1 1 44 44 ILE CG2 C 13 17.623 0.111 . 1 . . . A 44 ILE CG2 . 25123 1 258 . 1 1 44 44 ILE CD1 C 13 12.826 0.065 . 1 . . . A 44 ILE CD1 . 25123 1 259 . 1 1 44 44 ILE N N 15 119.272 0.042 . 1 . . . A 44 ILE N . 25123 1 260 . 1 1 45 45 PHE C C 13 173.634 0.065 . 1 . . . A 45 PHE C . 25123 1 261 . 1 1 45 45 PHE CA C 13 56.424 0.079 . 1 . . . A 45 PHE CA . 25123 1 262 . 1 1 45 45 PHE CB C 13 44.327 0.084 . 1 . . . A 45 PHE CB . 25123 1 263 . 1 1 45 45 PHE CG C 13 137.056 0.078 . 1 . . . A 45 PHE CG . 25123 1 264 . 1 1 45 45 PHE CD1 C 13 132.423 0.149 . 3 . . . A 45 PHE CD1 . 25123 1 265 . 1 1 45 45 PHE CD2 C 13 132.423 0.149 . 3 . . . A 45 PHE CD2 . 25123 1 266 . 1 1 45 45 PHE CE1 C 13 132.337 0.023 . 3 . . . A 45 PHE CE1 . 25123 1 267 . 1 1 45 45 PHE CE2 C 13 132.337 0.023 . 3 . . . A 45 PHE CE2 . 25123 1 268 . 1 1 45 45 PHE N N 15 123.683 0.081 . 1 . . . A 45 PHE N . 25123 1 269 . 1 1 46 46 ALA C C 13 177.303 0.090 . 1 . . . A 46 ALA C . 25123 1 270 . 1 1 46 46 ALA CA C 13 52.154 0.093 . 1 . . . A 46 ALA CA . 25123 1 271 . 1 1 46 46 ALA CB C 13 16.523 0.069 . 1 . . . A 46 ALA CB . 25123 1 272 . 1 1 46 46 ALA N N 15 135.683 0.069 . 1 . . . A 46 ALA N . 25123 1 273 . 1 1 47 47 GLY C C 13 173.479 0.037 . 1 . . . A 47 GLY C . 25123 1 274 . 1 1 47 47 GLY CA C 13 45.566 0.068 . 1 . . . A 47 GLY CA . 25123 1 275 . 1 1 47 47 GLY N N 15 103.653 0.077 . 1 . . . A 47 GLY N . 25123 1 276 . 1 1 48 48 LYS C C 13 174.995 0.050 . 1 . . . A 48 LYS C . 25123 1 277 . 1 1 48 48 LYS CA C 13 55.336 0.031 . 1 . . . A 48 LYS CA . 25123 1 278 . 1 1 48 48 LYS CB C 13 31.402 0.043 . 1 . . . A 48 LYS CB . 25123 1 279 . 1 1 48 48 LYS CG C 13 25.339 0.023 . 1 . . . A 48 LYS CG . 25123 1 280 . 1 1 48 48 LYS CD C 13 29.360 0.028 . 1 . . . A 48 LYS CD . 25123 1 281 . 1 1 48 48 LYS CE C 13 42.651 0.022 . 1 . . . A 48 LYS CE . 25123 1 282 . 1 1 48 48 LYS N N 15 122.542 0.031 . 1 . . . A 48 LYS N . 25123 1 283 . 1 1 49 49 GLN C C 13 175.717 0.020 . 1 . . . A 49 GLN C . 25123 1 284 . 1 1 49 49 GLN CA C 13 55.930 0.053 . 1 . . . A 49 GLN CA . 25123 1 285 . 1 1 49 49 GLN CB C 13 30.277 0.029 . 1 . . . A 49 GLN CB . 25123 1 286 . 1 1 49 49 GLN CG C 13 36.169 0.039 . 1 . . . A 49 GLN CG . 25123 1 287 . 1 1 49 49 GLN CD C 13 178.924 0.000 . 1 . . . A 49 GLN CD . 25123 1 288 . 1 1 49 49 GLN N N 15 123.910 0.036 . 1 . . . A 49 GLN N . 25123 1 289 . 1 1 50 50 LEU C C 13 176.418 0.089 . 1 . . . A 50 LEU C . 25123 1 290 . 1 1 50 50 LEU CA C 13 54.097 0.087 . 1 . . . A 50 LEU CA . 25123 1 291 . 1 1 50 50 LEU CB C 13 41.271 0.046 . 1 . . . A 50 LEU CB . 25123 1 292 . 1 1 50 50 LEU CG C 13 25.590 0.050 . 1 . . . A 50 LEU CG . 25123 1 293 . 1 1 50 50 LEU CD1 C 13 26.100 0.036 . 1 . . . A 50 LEU CD1 . 25123 1 294 . 1 1 50 50 LEU CD2 C 13 19.367 0.093 . 1 . . . A 50 LEU CD2 . 25123 1 295 . 1 1 50 50 LEU N N 15 123.942 0.052 . 1 . . . A 50 LEU N . 25123 1 296 . 1 1 51 51 GLU C C 13 177.113 0.048 . 1 . . . A 51 GLU C . 25123 1 297 . 1 1 51 51 GLU CA C 13 55.885 0.048 . 1 . . . A 51 GLU CA . 25123 1 298 . 1 1 51 51 GLU CB C 13 29.933 0.026 . 1 . . . A 51 GLU CB . 25123 1 299 . 1 1 51 51 GLU CG C 13 34.956 0.040 . 1 . . . A 51 GLU CG . 25123 1 300 . 1 1 51 51 GLU N N 15 123.530 0.068 . 1 . . . A 51 GLU N . 25123 1 301 . 1 1 52 52 ASP C C 13 175.901 0.052 . 1 . . . A 52 ASP C . 25123 1 302 . 1 1 52 52 ASP CA C 13 57.657 0.044 . 1 . . . A 52 ASP CA . 25123 1 303 . 1 1 52 52 ASP CB C 13 39.653 0.058 . 1 . . . A 52 ASP CB . 25123 1 304 . 1 1 52 52 ASP CG C 13 181.214 0.145 . 1 . . . A 52 ASP CG . 25123 1 305 . 1 1 52 52 ASP N N 15 118.613 0.082 . 1 . . . A 52 ASP N . 25123 1 306 . 1 1 53 53 GLY C C 13 174.864 0.040 . 1 . . . A 53 GLY C . 25123 1 307 . 1 1 53 53 GLY CA C 13 45.569 0.100 . 1 . . . A 53 GLY CA . 25123 1 308 . 1 1 53 53 GLY N N 15 100.907 0.117 . 1 . . . A 53 GLY N . 25123 1 309 . 1 1 54 54 ARG C C 13 175.028 0.069 . 1 . . . A 54 ARG C . 25123 1 310 . 1 1 54 54 ARG CA C 13 53.399 0.059 . 1 . . . A 54 ARG CA . 25123 1 311 . 1 1 54 54 ARG CB C 13 32.641 0.079 . 1 . . . A 54 ARG CB . 25123 1 312 . 1 1 54 54 ARG CG C 13 27.380 0.046 . 1 . . . A 54 ARG CG . 25123 1 313 . 1 1 54 54 ARG CD C 13 43.017 0.057 . 1 . . . A 54 ARG CD . 25123 1 314 . 1 1 54 54 ARG N N 15 120.839 0.135 . 1 . . . A 54 ARG N . 25123 1 315 . 1 1 55 55 THR C C 13 176.443 0.117 . 1 . . . A 55 THR C . 25123 1 316 . 1 1 55 55 THR CA C 13 59.622 0.064 . 1 . . . A 55 THR CA . 25123 1 317 . 1 1 55 55 THR CB C 13 73.519 0.051 . 1 . . . A 55 THR CB . 25123 1 318 . 1 1 55 55 THR CG2 C 13 23.247 0.062 . 1 . . . A 55 THR CG2 . 25123 1 319 . 1 1 55 55 THR N N 15 107.625 0.081 . 1 . . . A 55 THR N . 25123 1 320 . 1 1 56 56 LEU C C 13 180.338 0.063 . 1 . . . A 56 LEU C . 25123 1 321 . 1 1 56 56 LEU CA C 13 58.330 0.048 . 1 . . . A 56 LEU CA . 25123 1 322 . 1 1 56 56 LEU CB C 13 39.711 0.087 . 1 . . . A 56 LEU CB . 25123 1 323 . 1 1 56 56 LEU CG C 13 26.136 0.037 . 1 . . . A 56 LEU CG . 25123 1 324 . 1 1 56 56 LEU CD1 C 13 27.793 0.046 . 1 . . . A 56 LEU CD1 . 25123 1 325 . 1 1 56 56 LEU CD2 C 13 23.321 0.057 . 1 . . . A 56 LEU CD2 . 25123 1 326 . 1 1 56 56 LEU N N 15 117.418 0.050 . 1 . . . A 56 LEU N . 25123 1 327 . 1 1 57 57 SER C C 13 178.403 0.092 . 1 . . . A 57 SER C . 25123 1 328 . 1 1 57 57 SER CA C 13 60.751 0.089 . 1 . . . A 57 SER CA . 25123 1 329 . 1 1 57 57 SER CB C 13 62.656 0.049 . 1 . . . A 57 SER CB . 25123 1 330 . 1 1 57 57 SER N N 15 112.187 0.060 . 1 . . . A 57 SER N . 25123 1 331 . 1 1 58 58 ASP C C 13 176.085 0.036 . 1 . . . A 58 ASP C . 25123 1 332 . 1 1 58 58 ASP CA C 13 57.592 0.063 . 1 . . . A 58 ASP CA . 25123 1 333 . 1 1 58 58 ASP CB C 13 38.834 0.062 . 1 . . . A 58 ASP CB . 25123 1 334 . 1 1 58 58 ASP CG C 13 180.610 0.038 . 1 . . . A 58 ASP CG . 25123 1 335 . 1 1 58 58 ASP N N 15 125.051 0.117 . 1 . . . A 58 ASP N . 25123 1 336 . 1 1 59 59 TYR C C 13 175.980 0.075 . 1 . . . A 59 TYR C . 25123 1 337 . 1 1 59 59 TYR CA C 13 57.117 0.051 . 1 . . . A 59 TYR CA . 25123 1 338 . 1 1 59 59 TYR CB C 13 40.451 0.073 . 1 . . . A 59 TYR CB . 25123 1 339 . 1 1 59 59 TYR CG C 13 130.778 0.339 . 1 . . . A 59 TYR CG . 25123 1 340 . 1 1 59 59 TYR CD1 C 13 131.081 0.051 . 3 . . . A 59 TYR CD1 . 25123 1 341 . 1 1 59 59 TYR CD2 C 13 131.081 0.051 . 3 . . . A 59 TYR CD2 . 25123 1 342 . 1 1 59 59 TYR CE1 C 13 117.774 0.055 . 3 . . . A 59 TYR CE1 . 25123 1 343 . 1 1 59 59 TYR CE2 C 13 117.774 0.055 . 3 . . . A 59 TYR CE2 . 25123 1 344 . 1 1 59 59 TYR CZ C 13 156.921 0.031 . 1 . . . A 59 TYR CZ . 25123 1 345 . 1 1 59 59 TYR N N 15 113.039 0.096 . 1 . . . A 59 TYR N . 25123 1 346 . 1 1 60 60 ASN C C 13 174.090 0.036 . 1 . . . A 60 ASN C . 25123 1 347 . 1 1 60 60 ASN CA C 13 53.685 0.051 . 1 . . . A 60 ASN CA . 25123 1 348 . 1 1 60 60 ASN CB C 13 37.668 0.076 . 1 . . . A 60 ASN CB . 25123 1 349 . 1 1 60 60 ASN CG C 13 178.083 0.056 . 1 . . . A 60 ASN CG . 25123 1 350 . 1 1 60 60 ASN N N 15 117.395 0.126 . 1 . . . A 60 ASN N . 25123 1 351 . 1 1 61 61 ILE C C 13 174.143 0.093 . 1 . . . A 61 ILE C . 25123 1 352 . 1 1 61 61 ILE CA C 13 62.910 0.073 . 1 . . . A 61 ILE CA . 25123 1 353 . 1 1 61 61 ILE CB C 13 36.447 0.055 . 1 . . . A 61 ILE CB . 25123 1 354 . 1 1 61 61 ILE CG1 C 13 28.893 0.064 . 1 . . . A 61 ILE CG1 . 25123 1 355 . 1 1 61 61 ILE CG2 C 13 17.912 0.063 . 1 . . . A 61 ILE CG2 . 25123 1 356 . 1 1 61 61 ILE CD1 C 13 15.319 0.082 . 1 . . . A 61 ILE CD1 . 25123 1 357 . 1 1 61 61 ILE N N 15 118.676 0.056 . 1 . . . A 61 ILE N . 25123 1 358 . 1 1 62 62 GLN C C 13 175.238 0.036 . 1 . . . A 62 GLN C . 25123 1 359 . 1 1 62 62 GLN CA C 13 53.591 0.053 . 1 . . . A 62 GLN CA . 25123 1 360 . 1 1 62 62 GLN CB C 13 32.176 0.050 . 1 . . . A 62 GLN CB . 25123 1 361 . 1 1 62 62 GLN CG C 13 33.169 0.099 . 1 . . . A 62 GLN CG . 25123 1 362 . 1 1 62 62 GLN CD C 13 180.785 0.051 . 1 . . . A 62 GLN CD . 25123 1 363 . 1 1 62 62 GLN N N 15 125.804 0.051 . 1 . . . A 62 GLN N . 25123 1 364 . 1 1 63 63 LYS C C 13 176.583 0.059 . 1 . . . A 63 LYS C . 25123 1 365 . 1 1 63 63 LYS CA C 13 58.439 0.063 . 1 . . . A 63 LYS CA . 25123 1 366 . 1 1 63 63 LYS CB C 13 32.841 0.060 . 1 . . . A 63 LYS CB . 25123 1 367 . 1 1 63 63 LYS CD C 13 30.049 0.049 . 1 . . . A 63 LYS CD . 25123 1 368 . 1 1 63 63 LYS N N 15 119.391 0.050 . 1 . . . A 63 LYS N . 25123 1 369 . 1 1 64 64 GLU C C 13 174.910 0.057 . 1 . . . A 64 GLU C . 25123 1 370 . 1 1 64 64 GLU CA C 13 58.210 0.051 . 1 . . . A 64 GLU CA . 25123 1 371 . 1 1 64 64 GLU CB C 13 26.087 0.063 . 1 . . . A 64 GLU CB . 25123 1 372 . 1 1 64 64 GLU CG C 13 35.596 0.129 . 1 . . . A 64 GLU CG . 25123 1 373 . 1 1 64 64 GLU CD C 13 183.865 0.128 . 1 . . . A 64 GLU CD . 25123 1 374 . 1 1 64 64 GLU N N 15 114.930 0.210 . 1 . . . A 64 GLU N . 25123 1 375 . 1 1 65 65 SER C C 13 171.997 0.084 . 1 . . . A 65 SER C . 25123 1 376 . 1 1 65 65 SER CA C 13 61.259 0.063 . 1 . . . A 65 SER CA . 25123 1 377 . 1 1 65 65 SER CB C 13 65.081 0.047 . 1 . . . A 65 SER CB . 25123 1 378 . 1 1 65 65 SER N N 15 115.678 0.095 . 1 . . . A 65 SER N . 25123 1 379 . 1 1 66 66 THR C C 13 172.934 0.218 . 1 . . . A 66 THR C . 25123 1 380 . 1 1 66 66 THR CA C 13 62.542 0.040 . 1 . . . A 66 THR CA . 25123 1 381 . 1 1 66 66 THR CB C 13 69.996 0.056 . 1 . . . A 66 THR CB . 25123 1 382 . 1 1 66 66 THR CG2 C 13 22.306 0.099 . 1 . . . A 66 THR CG2 . 25123 1 383 . 1 1 66 66 THR N N 15 118.225 0.072 . 1 . . . A 66 THR N . 25123 1 384 . 1 1 67 67 LEU C C 13 175.489 0.056 . 1 . . . A 67 LEU C . 25123 1 385 . 1 1 67 67 LEU CA C 13 53.446 0.083 . 1 . . . A 67 LEU CA . 25123 1 386 . 1 1 67 67 LEU CB C 13 44.469 0.105 . 1 . . . A 67 LEU CB . 25123 1 387 . 1 1 67 67 LEU CG C 13 30.581 0.037 . 1 . . . A 67 LEU CG . 25123 1 388 . 1 1 67 67 LEU CD1 C 13 24.247 0.040 . 1 . . . A 67 LEU CD1 . 25123 1 389 . 1 1 67 67 LEU CD2 C 13 25.793 0.049 . 1 . . . A 67 LEU CD2 . 25123 1 390 . 1 1 67 67 LEU N N 15 128.926 0.093 . 1 . . . A 67 LEU N . 25123 1 391 . 1 1 68 68 HIS C C 13 175.598 0.029 . 1 . . . A 68 HIS C . 25123 1 392 . 1 1 68 68 HIS CA C 13 54.470 0.062 . 1 . . . A 68 HIS CA . 25123 1 393 . 1 1 68 68 HIS CB C 13 30.406 0.092 . 1 . . . A 68 HIS CB . 25123 1 394 . 1 1 68 68 HIS N N 15 117.795 0.074 . 1 . . . A 68 HIS N . 25123 1 395 . 1 1 69 69 LEU C C 13 176.381 0.051 . 1 . . . A 69 LEU C . 25123 1 396 . 1 1 69 69 LEU CA C 13 55.244 0.037 . 1 . . . A 69 LEU CA . 25123 1 397 . 1 1 69 69 LEU CB C 13 41.876 0.037 . 1 . . . A 69 LEU CB . 25123 1 398 . 1 1 69 69 LEU CG C 13 27.606 0.036 . 1 . . . A 69 LEU CG . 25123 1 399 . 1 1 69 69 LEU CD1 C 13 24.154 0.021 . 1 . . . A 69 LEU CD1 . 25123 1 400 . 1 1 69 69 LEU CD2 C 13 25.619 0.022 . 1 . . . A 69 LEU CD2 . 25123 1 401 . 1 1 69 69 LEU N N 15 125.977 0.057 . 1 . . . A 69 LEU N . 25123 1 402 . 1 1 70 70 VAL C C 13 176.198 0.050 . 1 . . . A 70 VAL C . 25123 1 403 . 1 1 70 70 VAL CA C 13 58.852 0.060 . 1 . . . A 70 VAL CA . 25123 1 404 . 1 1 70 70 VAL CB C 13 36.273 0.087 . 1 . . . A 70 VAL CB . 25123 1 405 . 1 1 70 70 VAL CG1 C 13 21.995 0.082 . 1 . . . A 70 VAL CG1 . 25123 1 406 . 1 1 70 70 VAL CG2 C 13 18.346 0.085 . 1 . . . A 70 VAL CG2 . 25123 1 407 . 1 1 70 70 VAL N N 15 112.216 0.130 . 1 . . . A 70 VAL N . 25123 1 408 . 1 1 71 71 LEU N N 15 119.738 0.063 . 1 . . . A 71 LEU N . 25123 1 stop_ save_