################################### # 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 19855 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 '2D 1H-15N HSQC' . . . 19855 1 2 '2D 1H-13C HSQC' . . . 19855 1 3 '3D HCCH-TOCSY' . . . 19855 1 4 '3D CBCA(CO)NH' . . . 19855 1 5 '3D HNCACB' . . . 19855 1 6 '3D C(CO)NH' . . . 19855 1 7 '3D H(CCO)NH' . . . 19855 1 8 '3D 1H-15N NOESY' . . . 19855 1 9 '3D 1H-13C NOESY' . . . 19855 1 10 31-P . . . 19855 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 2 2 SER H H 1 8.157 0.020 . 1 . . . A 2 SER H . 19855 1 2 . 1 1 2 2 SER HB2 H 1 3.850 0.020 . 1 . . . A 2 SER HB2 . 19855 1 3 . 1 1 2 2 SER C C 13 174.804 0.3 . 1 . . . A 2 SER C . 19855 1 4 . 1 1 2 2 SER CB C 13 63.961 0.3 . 1 . . . A 2 SER CB . 19855 1 5 . 1 1 2 2 SER N N 15 139.648 0.3 . 1 . . . A 2 SER N . 19855 1 6 . 1 1 3 3 THR H H 1 7.531 0.020 . 1 . . . A 3 THR H . 19855 1 7 . 1 1 3 3 THR HB H 1 4.240 0.020 . 1 . . . A 3 THR HB . 19855 1 8 . 1 1 3 3 THR HG21 H 1 1.336 0.020 . 1 . . . A 3 THR HG21 . 19855 1 9 . 1 1 3 3 THR HG22 H 1 1.336 0.020 . 1 . . . A 3 THR HG22 . 19855 1 10 . 1 1 3 3 THR HG23 H 1 1.336 0.020 . 1 . . . A 3 THR HG23 . 19855 1 11 . 1 1 3 3 THR C C 13 174.266 0.3 . 1 . . . A 3 THR C . 19855 1 12 . 1 1 3 3 THR CB C 13 70.406 0.3 . 1 . . . A 3 THR CB . 19855 1 13 . 1 1 3 3 THR CG2 C 13 26.754 0.3 . 1 . . . A 3 THR CG2 . 19855 1 14 . 1 1 3 3 THR N N 15 137.305 0.3 . 1 . . . A 3 THR N . 19855 1 15 . 1 1 4 4 ALA H H 1 6.807 0.020 . 1 . . . A 4 ALA H . 19855 1 16 . 1 1 4 4 ALA HB1 H 1 1.726 0.020 . 1 . . . A 4 ALA HB1 . 19855 1 17 . 1 1 4 4 ALA HB2 H 1 1.726 0.020 . 1 . . . A 4 ALA HB2 . 19855 1 18 . 1 1 4 4 ALA HB3 H 1 1.726 0.020 . 1 . . . A 4 ALA HB3 . 19855 1 19 . 1 1 4 4 ALA C C 13 177.557 0.3 . 1 . . . A 4 ALA C . 19855 1 20 . 1 1 4 4 ALA CB C 13 20.601 0.3 . 1 . . . A 4 ALA CB . 19855 1 21 . 1 1 4 4 ALA N N 15 137.305 0.3 . 1 . . . A 4 ALA N . 19855 1 22 . 1 1 5 5 MET H H 1 5.242 0.020 . 1 . . . A 5 MET H . 19855 1 23 . 1 1 5 5 MET HB2 H 1 2.117 0.020 . 1 . . . A 5 MET HB2 . 19855 1 24 . 1 1 5 5 MET HG2 H 1 2.586 0.020 . 1 . . . A 5 MET HG2 . 19855 1 25 . 1 1 5 5 MET C C 13 175.910 0.3 . 1 . . . A 5 MET C . 19855 1 26 . 1 1 5 5 MET CB C 13 33.199 0.3 . 1 . . . A 5 MET CB . 19855 1 27 . 1 1 5 5 MET N N 15 137.109 0.3 . 1 . . . A 5 MET N . 19855 1 28 . 1 1 6 6 ALA H H 1 5.223 0.020 . 1 . . . A 6 ALA H . 19855 1 29 . 1 1 6 6 ALA HB1 H 1 1.179 0.020 . 1 . . . A 6 ALA HB1 . 19855 1 30 . 1 1 6 6 ALA HB2 H 1 1.179 0.020 . 1 . . . A 6 ALA HB2 . 19855 1 31 . 1 1 6 6 ALA HB3 H 1 1.179 0.020 . 1 . . . A 6 ALA HB3 . 19855 1 32 . 1 1 6 6 ALA C C 13 177.841 0.3 . 1 . . . A 6 ALA C . 19855 1 33 . 1 1 6 6 ALA CB C 13 21.187 0.3 . 1 . . . A 6 ALA CB . 19855 1 34 . 1 1 6 6 ALA N N 15 136.914 0.3 . 1 . . . A 6 ALA N . 19855 1 35 . 1 1 7 7 THR H H 1 5.233 0.020 . 1 . . . A 7 THR H . 19855 1 36 . 1 1 7 7 THR HB H 1 4.247 0.020 . 1 . . . A 7 THR HB . 19855 1 37 . 1 1 7 7 THR HG21 H 1 1.194 0.020 . 1 . . . A 7 THR HG21 . 19855 1 38 . 1 1 7 7 THR HG22 H 1 1.194 0.020 . 1 . . . A 7 THR HG22 . 19855 1 39 . 1 1 7 7 THR HG23 H 1 1.194 0.020 . 1 . . . A 7 THR HG23 . 19855 1 40 . 1 1 7 7 THR C C 13 174.783 0.3 . 1 . . . A 7 THR C . 19855 1 41 . 1 1 7 7 THR CB C 13 69.234 0.3 . 1 . . . A 7 THR CB . 19855 1 42 . 1 1 7 7 THR CG2 C 13 20.308 0.3 . 1 . . . A 7 THR CG2 . 19855 1 43 . 1 1 7 7 THR N N 15 113.281 0.3 . 1 . . . A 7 THR N . 19855 1 44 . 1 1 8 8 THR H H 1 8.381 0.020 . 1 . . . A 8 THR H . 19855 1 45 . 1 1 8 8 THR HB H 1 3.523 0.020 . 1 . . . A 8 THR HB . 19855 1 46 . 1 1 8 8 THR HG21 H 1 1.960 0.020 . 1 . . . A 8 THR HG21 . 19855 1 47 . 1 1 8 8 THR HG22 H 1 1.960 0.020 . 1 . . . A 8 THR HG22 . 19855 1 48 . 1 1 8 8 THR HG23 H 1 1.960 0.020 . 1 . . . A 8 THR HG23 . 19855 1 49 . 1 1 8 8 THR C C 13 176.149 0.3 . 1 . . . A 8 THR C . 19855 1 50 . 1 1 8 8 THR CB C 13 70.113 0.3 . 1 . . . A 8 THR CB . 19855 1 51 . 1 1 8 8 THR CG2 C 13 21.187 0.3 . 1 . . . A 8 THR CG2 . 19855 1 52 . 1 1 8 8 THR N N 15 134.375 0.3 . 1 . . . A 8 THR N . 19855 1 53 . 1 1 9 9 MET H H 1 5.252 0.020 . 1 . . . A 9 MET H . 19855 1 54 . 1 1 9 9 MET HB2 H 1 1.951 0.020 . 1 . . . A 9 MET HB2 . 19855 1 55 . 1 1 9 9 MET C C 13 176.317 0.3 . 1 . . . A 9 MET C . 19855 1 56 . 1 1 9 9 MET CB C 13 32.320 0.3 . 1 . . . A 9 MET CB . 19855 1 57 . 1 1 9 9 MET N N 15 132.812 0.3 . 1 . . . A 9 MET N . 19855 1 58 . 1 1 10 10 GLU H H 1 5.673 0.020 . 1 . . . A 10 GLU H . 19855 1 59 . 1 1 10 10 GLU HB2 H 1 1.937 0.020 . 1 . . . A 10 GLU HB2 . 19855 1 60 . 1 1 10 10 GLU C C 13 176.344 0.3 . 1 . . . A 10 GLU C . 19855 1 61 . 1 1 10 10 GLU CB C 13 30.269 0.3 . 1 . . . A 10 GLU CB . 19855 1 62 . 1 1 10 10 GLU N N 15 139.844 0.3 . 1 . . . A 10 GLU N . 19855 1 63 . 1 1 11 11 GLN H H 1 8.538 0.020 . 1 . . . A 11 GLN H . 19855 1 64 . 1 1 11 11 GLN HB2 H 1 1.648 0.020 . 1 . . . A 11 GLN HB2 . 19855 1 65 . 1 1 11 11 GLN HE21 H 1 6.804 0.020 . 1 . . . A 11 GLN HE21 . 19855 1 66 . 1 1 11 11 GLN HE22 H 1 7.585 0.020 . 1 . . . A 11 GLN HE22 . 19855 1 67 . 1 1 11 11 GLN C C 13 175.611 0.3 . 1 . . . A 11 GLN C . 19855 1 68 . 1 1 11 11 GLN CB C 13 29.683 0.3 . 1 . . . A 11 GLN CB . 19855 1 69 . 1 1 11 11 GLN N N 15 134.961 0.3 . 1 . . . A 11 GLN N . 19855 1 70 . 1 1 12 12 GLU H H 1 5.193 0.020 . 1 . . . A 12 GLU H . 19855 1 71 . 1 1 12 12 GLU HB2 H 1 2.015 0.020 . 1 . . . A 12 GLU HB2 . 19855 1 72 . 1 1 12 12 GLU HG2 H 1 2.246 0.020 . 1 . . . A 12 GLU HG2 . 19855 1 73 . 1 1 12 12 GLU C C 13 175.333 0.3 . 1 . . . A 12 GLU C . 19855 1 74 . 1 1 12 12 GLU CB C 13 33.785 0.3 . 1 . . . A 12 GLU CB . 19855 1 75 . 1 1 12 12 GLU N N 15 117.969 0.3 . 1 . . . A 12 GLU N . 19855 1 76 . 1 1 13 13 ILE H H 1 6.817 0.020 . 1 . . . A 13 ILE H . 19855 1 77 . 1 1 13 13 ILE HG12 H 1 1.246 0.020 . 1 . . . A 13 ILE HG12 . 19855 1 78 . 1 1 13 13 ILE HG21 H 1 0.877 0.020 . 1 . . . A 13 ILE HG21 . 19855 1 79 . 1 1 13 13 ILE HG22 H 1 0.877 0.020 . 1 . . . A 13 ILE HG22 . 19855 1 80 . 1 1 13 13 ILE HG23 H 1 0.877 0.020 . 1 . . . A 13 ILE HG23 . 19855 1 81 . 1 1 13 13 ILE HD11 H 1 0.677 0.020 . 1 . . . A 13 ILE HD11 . 19855 1 82 . 1 1 13 13 ILE HD12 H 1 0.677 0.020 . 1 . . . A 13 ILE HD12 . 19855 1 83 . 1 1 13 13 ILE HD13 H 1 0.677 0.020 . 1 . . . A 13 ILE HD13 . 19855 1 84 . 1 1 13 13 ILE C C 13 175.997 0.3 . 1 . . . A 13 ILE C . 19855 1 85 . 1 1 13 13 ILE CB C 13 41.109 0.3 . 1 . . . A 13 ILE CB . 19855 1 86 . 1 1 13 13 ILE CG1 C 13 27.340 0.3 . 1 . . . A 13 ILE CG1 . 19855 1 87 . 1 1 13 13 ILE CG2 C 13 18.257 0.3 . 1 . . . A 13 ILE CG2 . 19855 1 88 . 1 1 13 13 ILE CD1 C 13 13.277 0.3 . 1 . . . A 13 ILE CD1 . 19855 1 89 . 1 1 13 13 ILE N N 15 90.234 0.3 . 1 . . . A 13 ILE N . 19855 1 90 . 1 1 14 14 CYS H H 1 8.235 0.020 . 1 . . . A 14 CYS H . 19855 1 91 . 1 1 14 14 CYS HB2 H 1 1.804 0.020 . 1 . . . A 14 CYS HB2 . 19855 1 92 . 1 1 14 14 CYS C C 13 177.200 0.3 . 1 . . . A 14 CYS C . 19855 1 93 . 1 1 14 14 CYS CB C 13 33.492 0.3 . 1 . . . A 14 CYS CB . 19855 1 94 . 1 1 14 14 CYS N N 15 90.625 0.3 . 1 . . . A 14 CYS N . 19855 1 95 . 1 1 15 15 ALA H H 1 8.274 0.020 . 1 . . . A 15 ALA H . 19855 1 96 . 1 1 15 15 ALA HB1 H 1 0.960 0.020 . 1 . . . A 15 ALA HB1 . 19855 1 97 . 1 1 15 15 ALA HB2 H 1 0.960 0.020 . 1 . . . A 15 ALA HB2 . 19855 1 98 . 1 1 15 15 ALA HB3 H 1 0.960 0.020 . 1 . . . A 15 ALA HB3 . 19855 1 99 . 1 1 15 15 ALA C C 13 177.920 0.3 . 1 . . . A 15 ALA C . 19855 1 100 . 1 1 15 15 ALA CB C 13 19.136 0.3 . 1 . . . A 15 ALA CB . 19855 1 101 . 1 1 15 15 ALA N N 15 91.016 0.3 . 1 . . . A 15 ALA N . 19855 1 102 . 1 1 16 16 HIS H H 1 8.411 0.020 . 1 . . . A 16 HIS H . 19855 1 103 . 1 1 16 16 HIS HB2 H 1 2.853 0.020 . 1 . . . A 16 HIS HB2 . 19855 1 104 . 1 1 16 16 HIS C C 13 174.638 0.3 . 1 . . . A 16 HIS C . 19855 1 105 . 1 1 16 16 HIS CB C 13 28.511 0.3 . 1 . . . A 16 HIS CB . 19855 1 106 . 1 1 16 16 HIS N N 15 91.406 0.3 . 1 . . . A 16 HIS N . 19855 1 107 . 1 1 17 17 SER H H 1 5.370 0.020 . 1 . . . A 17 SER H . 19855 1 108 . 1 1 17 17 SER HB2 H 1 4.106 0.020 . 1 . . . A 17 SER HB2 . 19855 1 109 . 1 1 17 17 SER HB3 H 1 4.106 0.020 . 1 . . . A 17 SER HB3 . 19855 1 110 . 1 1 17 17 SER C C 13 172.992 0.3 . 1 . . . A 17 SER C . 19855 1 111 . 1 1 17 17 SER CB C 13 62.496 0.3 . 1 . . . A 17 SER CB . 19855 1 112 . 1 1 17 17 SER N N 15 112.891 0.3 . 1 . . . A 17 SER N . 19855 1 113 . 1 1 18 18 MET H H 1 10.103 0.020 . 1 . . . A 18 MET H . 19855 1 114 . 1 1 18 18 MET HB2 H 1 2.018 0.020 . 1 . . . A 18 MET HB2 . 19855 1 115 . 1 1 18 18 MET C C 13 174.174 0.3 . 1 . . . A 18 MET C . 19855 1 116 . 1 1 18 18 MET CB C 13 37.007 0.3 . 1 . . . A 18 MET CB . 19855 1 117 . 1 1 18 18 MET N N 15 104.492 0.3 . 1 . . . A 18 MET N . 19855 1 118 . 1 1 19 19 THR H H 1 10.073 0.020 . 1 . . . A 19 THR H . 19855 1 119 . 1 1 19 19 THR HB H 1 4.518 0.020 . 1 . . . A 19 THR HB . 19855 1 120 . 1 1 19 19 THR HG21 H 1 1.303 0.020 . 1 . . . A 19 THR HG21 . 19855 1 121 . 1 1 19 19 THR HG22 H 1 1.303 0.020 . 1 . . . A 19 THR HG22 . 19855 1 122 . 1 1 19 19 THR HG23 H 1 1.303 0.020 . 1 . . . A 19 THR HG23 . 19855 1 123 . 1 1 19 19 THR C C 13 174.626 0.3 . 1 . . . A 19 THR C . 19855 1 124 . 1 1 19 19 THR CB C 13 70.406 0.3 . 1 . . . A 19 THR CB . 19855 1 125 . 1 1 19 19 THR CG2 C 13 24.703 0.3 . 1 . . . A 19 THR CG2 . 19855 1 126 . 1 1 19 19 THR N N 15 104.297 0.3 . 1 . . . A 19 THR N . 19855 1 127 . 1 1 20 20 PHE H H 1 5.536 0.020 . 1 . . . A 20 PHE H . 19855 1 128 . 1 1 20 20 PHE HB2 H 1 2.934 0.020 . 1 . . . A 20 PHE HB2 . 19855 1 129 . 1 1 20 20 PHE HB3 H 1 2.934 0.020 . 1 . . . A 20 PHE HB3 . 19855 1 130 . 1 1 20 20 PHE C C 13 177.239 0.3 . 1 . . . A 20 PHE C . 19855 1 131 . 1 1 20 20 PHE CB C 13 39.351 0.3 . 1 . . . A 20 PHE CB . 19855 1 132 . 1 1 20 20 PHE N N 15 104.297 0.3 . 1 . . . A 20 PHE N . 19855 1 133 . 1 1 21 21 GLU H H 1 5.418 0.020 . 1 . . . A 21 GLU H . 19855 1 134 . 1 1 21 21 GLU HG2 H 1 2.280 0.020 . 1 . . . A 21 GLU HG2 . 19855 1 135 . 1 1 21 21 GLU C C 13 177.414 0.3 . 1 . . . A 21 GLU C . 19855 1 136 . 1 1 21 21 GLU CB C 13 30.562 0.3 . 1 . . . A 21 GLU CB . 19855 1 137 . 1 1 21 21 GLU N N 15 104.297 0.3 . 1 . . . A 21 GLU N . 19855 1 138 . 1 1 22 22 GLU H H 1 5.233 0.020 . 1 . . . A 22 GLU H . 19855 1 139 . 1 1 22 22 GLU HB2 H 1 2.012 0.020 . 1 . . . A 22 GLU HB2 . 19855 1 140 . 1 1 22 22 GLU HB3 H 1 2.012 0.020 . 1 . . . A 22 GLU HB3 . 19855 1 141 . 1 1 22 22 GLU HG2 H 1 2.180 0.020 . 1 . . . A 22 GLU HG2 . 19855 1 142 . 1 1 22 22 GLU C C 13 175.998 0.3 . 1 . . . A 22 GLU C . 19855 1 143 . 1 1 22 22 GLU CB C 13 31.148 0.3 . 1 . . . A 22 GLU CB . 19855 1 144 . 1 1 22 22 GLU N N 15 104.102 0.3 . 1 . . . A 22 GLU N . 19855 1 145 . 1 1 23 23 CYS H H 1 4.988 0.020 . 1 . . . A 23 CYS H . 19855 1 146 . 1 1 23 23 CYS HB2 H 1 2.900 0.020 . 1 . . . A 23 CYS HB2 . 19855 1 147 . 1 1 23 23 CYS CB C 13 29.976 0.3 . 1 . . . A 23 CYS CB . 19855 1 148 . 1 1 23 23 CYS N N 15 104.102 0.3 . 1 . . . A 23 CYS N . 19855 1 149 . 1 1 24 24 PRO HB2 H 1 1.899 0.020 . 1 . . . A 24 PRO HB2 . 19855 1 150 . 1 1 24 24 PRO HG2 H 1 1.940 0.020 . 1 . . . A 24 PRO HG2 . 19855 1 151 . 1 1 24 24 PRO HD2 H 1 3.950 0.020 . 1 . . . A 24 PRO HD2 . 19855 1 152 . 1 1 24 24 PRO C C 13 177.793 0.3 . 1 . . . A 24 PRO C . 19855 1 153 . 1 1 24 24 PRO CB C 13 34.664 0.3 . 1 . . . A 24 PRO CB . 19855 1 154 . 1 1 24 24 PRO CD C 13 53.414 0.3 . 1 . . . A 24 PRO CD . 19855 1 155 . 1 1 24 24 PRO N N 15 103.516 0.3 . 1 . . . A 24 PRO N . 19855 1 156 . 1 1 25 25 LYS H H 1 8.069 0.020 . 1 . . . A 25 LYS H . 19855 1 157 . 1 1 25 25 LYS HB2 H 1 1.411 0.020 . 1 . . . A 25 LYS HB2 . 19855 1 158 . 1 1 25 25 LYS HG2 H 1 1.080 0.020 . 1 . . . A 25 LYS HG2 . 19855 1 159 . 1 1 25 25 LYS C C 13 178.891 0.3 . 1 . . . A 25 LYS C . 19855 1 160 . 1 1 25 25 LYS CB C 13 34.664 0.3 . 1 . . . A 25 LYS CB . 19855 1 161 . 1 1 25 25 LYS CD C 13 29.390 0.3 . 1 . . . A 25 LYS CD . 19855 1 162 . 1 1 25 25 LYS CE C 13 44.918 0.3 . 1 . . . A 25 LYS CE . 19855 1 163 . 1 1 25 25 LYS N N 15 102.539 0.3 . 1 . . . A 25 LYS N . 19855 1 164 . 1 1 26 26 CYS H H 1 5.184 0.020 . 1 . . . A 26 CYS H . 19855 1 165 . 1 1 26 26 CYS HB2 H 1 2.527 0.020 . 1 . . . A 26 CYS HB2 . 19855 1 166 . 1 1 26 26 CYS C C 13 177.188 0.3 . 1 . . . A 26 CYS C . 19855 1 167 . 1 1 26 26 CYS CB C 13 30.562 0.3 . 1 . . . A 26 CYS CB . 19855 1 168 . 1 1 26 26 CYS N N 15 102.539 0.3 . 1 . . . A 26 CYS N . 19855 1 169 . 1 1 27 27 SER H H 1 5.438 0.020 . 1 . . . A 27 SER H . 19855 1 170 . 1 1 27 27 SER HB2 H 1 3.972 0.020 . 1 . . . A 27 SER HB2 . 19855 1 171 . 1 1 27 27 SER N N 15 113.867 0.3 . 1 . . . A 27 SER N . 19855 1 172 . 1 1 28 28 ALA H H 1 5.673 0.020 . 1 . . . A 28 ALA H . 19855 1 173 . 1 1 28 28 ALA HB1 H 1 1.570 0.020 . 1 . . . A 28 ALA HB1 . 19855 1 174 . 1 1 28 28 ALA HB2 H 1 1.570 0.020 . 1 . . . A 28 ALA HB2 . 19855 1 175 . 1 1 28 28 ALA HB3 H 1 1.570 0.020 . 1 . . . A 28 ALA HB3 . 19855 1 176 . 1 1 28 28 ALA C C 13 178.400 0.3 . 1 . . . A 28 ALA C . 19855 1 177 . 1 1 28 28 ALA CB C 13 17.379 0.3 . 1 . . . A 28 ALA CB . 19855 1 178 . 1 1 28 28 ALA N N 15 123.437 0.3 . 1 . . . A 28 ALA N . 19855 1 179 . 1 1 29 29 LEU H H 1 7.971 0.020 . 1 . . . A 29 LEU H . 19855 1 180 . 1 1 29 29 LEU HB2 H 1 1.537 0.020 . 1 . . . A 29 LEU HB2 . 19855 1 181 . 1 1 29 29 LEU HD11 H 1 0.980 0.020 . 2 . . . A 29 LEU HD11 . 19855 1 182 . 1 1 29 29 LEU HD12 H 1 0.980 0.020 . 2 . . . A 29 LEU HD12 . 19855 1 183 . 1 1 29 29 LEU HD13 H 1 0.980 0.020 . 2 . . . A 29 LEU HD13 . 19855 1 184 . 1 1 29 29 LEU HD21 H 1 0.870 0.020 . 2 . . . A 29 LEU HD21 . 19855 1 185 . 1 1 29 29 LEU HD22 H 1 0.870 0.020 . 2 . . . A 29 LEU HD22 . 19855 1 186 . 1 1 29 29 LEU HD23 H 1 0.870 0.020 . 2 . . . A 29 LEU HD23 . 19855 1 187 . 1 1 29 29 LEU C C 13 177.715 0.3 . 1 . . . A 29 LEU C . 19855 1 188 . 1 1 29 29 LEU CB C 13 43.160 0.3 . 1 . . . A 29 LEU CB . 19855 1 189 . 1 1 29 29 LEU CD1 C 13 26.754 0.3 . 1 . . . A 29 LEU CD1 . 19855 1 190 . 1 1 29 29 LEU CD2 C 13 23.824 0.3 . 1 . . . A 29 LEU CD2 . 19855 1 191 . 1 1 29 29 LEU N N 15 101.758 0.3 . 1 . . . A 29 LEU N . 19855 1 192 . 1 1 30 30 GLN H H 1 7.892 0.020 . 1 . . . A 30 GLN H . 19855 1 193 . 1 1 30 30 GLN HE21 H 1 7.350 0.020 . 1 . . . A 30 GLN HE21 . 19855 1 194 . 1 1 30 30 GLN HE22 H 1 6.780 0.020 . 1 . . . A 30 GLN HE22 . 19855 1 195 . 1 1 30 30 GLN C C 13 175.829 0.3 . 1 . . . A 30 GLN C . 19855 1 196 . 1 1 30 30 GLN CB C 13 30.562 0.3 . 1 . . . A 30 GLN CB . 19855 1 197 . 1 1 30 30 GLN N N 15 101.563 0.3 . 1 . . . A 30 GLN N . 19855 1 198 . 1 1 31 31 TYR H H 1 8.117 0.020 . 1 . . . A 31 TYR H . 19855 1 199 . 1 1 31 31 TYR HB2 H 1 2.873 0.020 . 1 . . . A 31 TYR HB2 . 19855 1 200 . 1 1 31 31 TYR C C 13 176.074 0.3 . 1 . . . A 31 TYR C . 19855 1 201 . 1 1 31 31 TYR CB C 13 41.402 0.3 . 1 . . . A 31 TYR CB . 19855 1 202 . 1 1 31 31 TYR N N 15 100.977 0.3 . 1 . . . A 31 TYR N . 19855 1 203 . 1 1 32 32 ARG H H 1 7.961 0.020 . 1 . . . A 32 ARG H . 19855 1 204 . 1 1 32 32 ARG HB2 H 1 1.673 0.020 . 1 . . . A 32 ARG HB2 . 19855 1 205 . 1 1 32 32 ARG C C 13 175.924 0.3 . 1 . . . A 32 ARG C . 19855 1 206 . 1 1 32 32 ARG CB C 13 31.441 0.3 . 1 . . . A 32 ARG CB . 19855 1 207 . 1 1 32 32 ARG CD C 13 44.918 0.3 . 1 . . . A 32 ARG CD . 19855 1 208 . 1 1 32 32 ARG N N 15 100.391 0.3 . 1 . . . A 32 ARG N . 19855 1 209 . 1 1 33 33 ASN H H 1 5.301 0.020 . 1 . . . A 33 ASN H . 19855 1 210 . 1 1 33 33 ASN HB2 H 1 2.731 0.020 . 1 . . . A 33 ASN HB2 . 19855 1 211 . 1 1 33 33 ASN HD21 H 1 6.900 0.020 . 1 . . . A 33 ASN HD21 . 19855 1 212 . 1 1 33 33 ASN HD22 H 1 7.570 0.020 . 1 . . . A 33 ASN HD22 . 19855 1 213 . 1 1 33 33 ASN C C 13 175.488 0.3 . 1 . . . A 33 ASN C . 19855 1 214 . 1 1 33 33 ASN CB C 13 38.472 0.3 . 1 . . . A 33 ASN CB . 19855 1 215 . 1 1 33 33 ASN N N 15 100.391 0.3 . 1 . . . A 33 ASN N . 19855 1 216 . 1 1 34 34 GLY H H 1 8.303 0.020 . 1 . . . A 34 GLY H . 19855 1 217 . 1 1 34 34 GLY HA2 H 1 3.740 0.020 . 1 . . . A 34 GLY HA2 . 19855 1 218 . 1 1 34 34 GLY C C 13 173.894 0.3 . 1 . . . A 34 GLY C . 19855 1 219 . 1 1 34 34 GLY N N 15 100.195 0.3 . 1 . . . A 34 GLY N . 19855 1 220 . 1 1 35 35 PHE H H 1 7.746 0.020 . 1 . . . A 35 PHE H . 19855 1 221 . 1 1 35 35 PHE HB2 H 1 3.772 0.020 . 1 . . . A 35 PHE HB2 . 19855 1 222 . 1 1 35 35 PHE C C 13 175.393 0.3 . 1 . . . A 35 PHE C . 19855 1 223 . 1 1 35 35 PHE CB C 13 42.281 0.3 . 1 . . . A 35 PHE CB . 19855 1 224 . 1 1 35 35 PHE N N 15 100.195 0.3 . 1 . . . A 35 PHE N . 19855 1 225 . 1 1 36 36 TYR H H 1 5.448 0.020 . 1 . . . A 36 TYR H . 19855 1 226 . 1 1 36 36 TYR HB2 H 1 3.339 0.020 . 1 . . . A 36 TYR HB2 . 19855 1 227 . 1 1 36 36 TYR C C 13 175.157 0.3 . 1 . . . A 36 TYR C . 19855 1 228 . 1 1 36 36 TYR CB C 13 42.867 0.3 . 1 . . . A 36 TYR CB . 19855 1 229 . 1 1 36 36 TYR N N 15 100.195 0.3 . 1 . . . A 36 TYR N . 19855 1 230 . 1 1 37 37 LEU H H 1 5.242 0.020 . 1 . . . A 37 LEU H . 19855 1 231 . 1 1 37 37 LEU HD11 H 1 1.221 0.020 . 1 . . . A 37 LEU HD11 . 19855 1 232 . 1 1 37 37 LEU HD12 H 1 1.221 0.020 . 1 . . . A 37 LEU HD12 . 19855 1 233 . 1 1 37 37 LEU HD13 H 1 1.221 0.020 . 1 . . . A 37 LEU HD13 . 19855 1 234 . 1 1 37 37 LEU C C 13 176.500 0.3 . 1 . . . A 37 LEU C . 19855 1 235 . 1 1 37 37 LEU CB C 13 46.675 0.3 . 1 . . . A 37 LEU CB . 19855 1 236 . 1 1 37 37 LEU CD1 C 13 27.925 0.3 . 1 . . . A 37 LEU CD1 . 19855 1 237 . 1 1 37 37 LEU CD2 C 13 28.511 0.3 . 1 . . . A 37 LEU CD2 . 19855 1 238 . 1 1 37 37 LEU N N 15 100.195 0.3 . 1 . . . A 37 LEU N . 19855 1 239 . 1 1 38 38 LEU H H 1 8.333 0.020 . 1 . . . A 38 LEU H . 19855 1 240 . 1 1 38 38 LEU HB2 H 1 1.992 0.020 . 1 . . . A 38 LEU HB2 . 19855 1 241 . 1 1 38 38 LEU HD11 H 1 1.102 0.020 . 1 . . . A 38 LEU HD11 . 19855 1 242 . 1 1 38 38 LEU HD12 H 1 1.102 0.020 . 1 . . . A 38 LEU HD12 . 19855 1 243 . 1 1 38 38 LEU HD13 H 1 1.102 0.020 . 1 . . . A 38 LEU HD13 . 19855 1 244 . 1 1 38 38 LEU C C 13 176.636 0.3 . 1 . . . A 38 LEU C . 19855 1 245 . 1 1 38 38 LEU CB C 13 49.605 0.3 . 1 . . . A 38 LEU CB . 19855 1 246 . 1 1 38 38 LEU CD1 C 13 23.824 0.3 . 1 . . . A 38 LEU CD1 . 19855 1 247 . 1 1 38 38 LEU CD2 C 13 25.582 0.3 . 1 . . . A 38 LEU CD2 . 19855 1 248 . 1 1 38 38 LEU N N 15 100.000 0.3 . 1 . . . A 38 LEU N . 19855 1 249 . 1 1 39 39 LYS H H 1 8.372 0.020 . 1 . . . A 39 LYS H . 19855 1 250 . 1 1 39 39 LYS HB2 H 1 2.618 0.020 . 1 . . . A 39 LYS HB2 . 19855 1 251 . 1 1 39 39 LYS C C 13 175.954 0.3 . 1 . . . A 39 LYS C . 19855 1 252 . 1 1 39 39 LYS CB C 13 39.937 0.3 . 1 . . . A 39 LYS CB . 19855 1 253 . 1 1 39 39 LYS CD C 13 29.683 0.3 . 1 . . . A 39 LYS CD . 19855 1 254 . 1 1 39 39 LYS CE C 13 47.554 0.3 . 1 . . . A 39 LYS CE . 19855 1 255 . 1 1 39 39 LYS N N 15 99.609 0.3 . 1 . . . A 39 LYS N . 19855 1 256 . 1 1 40 40 TYR H H 1 8.137 0.020 . 1 . . . A 40 TYR H . 19855 1 257 . 1 1 40 40 TYR CB C 13 44.332 0.3 . 1 . . . A 40 TYR CB . 19855 1 258 . 1 1 40 40 TYR N N 15 99.609 0.3 . 1 . . . A 40 TYR N . 19855 1 259 . 1 1 41 41 ASP H H 1 8.254 0.020 . 1 . . . A 41 ASP H . 19855 1 260 . 1 1 41 41 ASP C C 13 176.291 0.3 . 1 . . . A 41 ASP C . 19855 1 261 . 1 1 41 41 ASP CB C 13 51.949 0.3 . 1 . . . A 41 ASP CB . 19855 1 262 . 1 1 41 41 ASP N N 15 99.023 0.3 . 1 . . . A 41 ASP N . 19855 1 263 . 1 1 42 42 GLU H H 1 13.877 0.020 . 1 . . . A 42 GLU H . 19855 1 264 . 1 1 42 42 GLU C C 13 176.561 0.3 . 1 . . . A 42 GLU C . 19855 1 265 . 1 1 42 42 GLU CB C 13 30.562 0.3 . 1 . . . A 42 GLU CB . 19855 1 266 . 1 1 42 42 GLU N N 15 120.703 0.3 . 1 . . . A 42 GLU N . 19855 1 267 . 1 1 43 43 GLU H H 1 7.716 0.020 . 1 . . . A 43 GLU H . 19855 1 268 . 1 1 43 43 GLU HB2 H 1 2.411 0.020 . 1 . . . A 43 GLU HB2 . 19855 1 269 . 1 1 43 43 GLU C C 13 176.291 0.3 . 1 . . . A 43 GLU C . 19855 1 270 . 1 1 43 43 GLU CB C 13 37.300 0.3 . 1 . . . A 43 GLU CB . 19855 1 271 . 1 1 43 43 GLU N N 15 98.828 0.3 . 1 . . . A 43 GLU N . 19855 1 272 . 1 1 44 44 TRP H H 1 5.497 0.020 . 1 . . . A 44 TRP H . 19855 1 273 . 1 1 44 44 TRP C C 13 179.291 0.3 . 1 . . . A 44 TRP C . 19855 1 274 . 1 1 44 44 TRP CB C 13 34.664 0.3 . 1 . . . A 44 TRP CB . 19855 1 275 . 1 1 44 44 TRP N N 15 98.828 0.3 . 1 . . . A 44 TRP N . 19855 1 276 . 1 1 45 45 TYR H H 1 8.597 0.020 . 1 . . . A 45 TYR H . 19855 1 277 . 1 1 45 45 TYR CB C 13 45.504 0.3 . 1 . . . A 45 TYR CB . 19855 1 278 . 1 1 45 45 TYR N N 15 98.633 0.3 . 1 . . . A 45 TYR N . 19855 1 279 . 1 1 46 46 PRO HB2 H 1 1.870 0.020 . 1 . . . A 46 PRO HB2 . 19855 1 280 . 1 1 46 46 PRO HD2 H 1 3.291 0.020 . 1 . . . A 46 PRO HD2 . 19855 1 281 . 1 1 46 46 PRO C C 13 176.789 0.3 . 1 . . . A 46 PRO C . 19855 1 282 . 1 1 46 46 PRO CB C 13 33.492 0.3 . 1 . . . A 46 PRO CB . 19855 1 283 . 1 1 46 46 PRO CD C 13 51.070 0.3 . 1 . . . A 46 PRO CD . 19855 1 284 . 1 1 46 46 PRO N N 15 98.633 0.3 . 1 . . . A 46 PRO N . 19855 1 285 . 1 1 47 47 GLU H H 1 8.235 0.020 . 1 . . . A 47 GLU H . 19855 1 286 . 1 1 47 47 GLU CB C 13 27.047 0.3 . 1 . . . A 47 GLU CB . 19855 1 287 . 1 1 47 47 GLU N N 15 98.438 0.3 . 1 . . . A 47 GLU N . 19855 1 288 . 1 1 48 48 GLU H H 1 8.391 0.020 . 1 . . . A 48 GLU H . 19855 1 289 . 1 1 48 48 GLU N N 15 97.656 0.3 . 1 . . . A 48 GLU N . 19855 1 290 . 1 1 49 49 LEU H H 1 8.215 0.020 . 1 . . . A 49 LEU H . 19855 1 291 . 1 1 49 49 LEU HD11 H 1 0.860 0.020 . 1 . . . A 49 LEU HD11 . 19855 1 292 . 1 1 49 49 LEU HD12 H 1 0.860 0.020 . 1 . . . A 49 LEU HD12 . 19855 1 293 . 1 1 49 49 LEU HD13 H 1 0.860 0.020 . 1 . . . A 49 LEU HD13 . 19855 1 294 . 1 1 49 49 LEU C C 13 176.939 0.3 . 1 . . . A 49 LEU C . 19855 1 295 . 1 1 49 49 LEU CB C 13 43.160 0.3 . 1 . . . A 49 LEU CB . 19855 1 296 . 1 1 49 49 LEU CD1 C 13 24.117 0.3 . 1 . . . A 49 LEU CD1 . 19855 1 297 . 1 1 49 49 LEU CD2 C 13 22.359 0.3 . 1 . . . A 49 LEU CD2 . 19855 1 298 . 1 1 49 49 LEU N N 15 97.656 0.3 . 1 . . . A 49 LEU N . 19855 1 299 . 1 1 50 50 LEU H H 1 8.000 0.020 . 1 . . . A 50 LEU H . 19855 1 300 . 1 1 50 50 LEU HB2 H 1 1.591 0.020 . 1 . . . A 50 LEU HB2 . 19855 1 301 . 1 1 50 50 LEU HD11 H 1 0.888 0.020 . 2 . . . A 50 LEU HD11 . 19855 1 302 . 1 1 50 50 LEU HD12 H 1 0.888 0.020 . 2 . . . A 50 LEU HD12 . 19855 1 303 . 1 1 50 50 LEU HD13 H 1 0.888 0.020 . 2 . . . A 50 LEU HD13 . 19855 1 304 . 1 1 50 50 LEU HD21 H 1 0.841 0.020 . 2 . . . A 50 LEU HD21 . 19855 1 305 . 1 1 50 50 LEU HD22 H 1 0.841 0.020 . 2 . . . A 50 LEU HD22 . 19855 1 306 . 1 1 50 50 LEU HD23 H 1 0.841 0.020 . 2 . . . A 50 LEU HD23 . 19855 1 307 . 1 1 50 50 LEU C C 13 177.384 0.3 . 1 . . . A 50 LEU C . 19855 1 308 . 1 1 50 50 LEU CB C 13 43.160 0.3 . 1 . . . A 50 LEU CB . 19855 1 309 . 1 1 50 50 LEU CD1 C 13 25.875 0.3 . 1 . . . A 50 LEU CD1 . 19855 1 310 . 1 1 50 50 LEU CD2 C 13 24.410 0.3 . 1 . . . A 50 LEU CD2 . 19855 1 311 . 1 1 50 50 LEU N N 15 97.266 0.3 . 1 . . . A 50 LEU N . 19855 1 312 . 1 1 51 51 THR H H 1 5.184 0.020 . 1 . . . A 51 THR H . 19855 1 313 . 1 1 51 51 THR HB H 1 4.239 0.020 . 1 . . . A 51 THR HB . 19855 1 314 . 1 1 51 51 THR HG21 H 1 1.157 0.020 . 1 . . . A 51 THR HG21 . 19855 1 315 . 1 1 51 51 THR HG22 H 1 1.157 0.020 . 1 . . . A 51 THR HG22 . 19855 1 316 . 1 1 51 51 THR HG23 H 1 1.157 0.020 . 1 . . . A 51 THR HG23 . 19855 1 317 . 1 1 51 51 THR C C 13 174.158 0.3 . 1 . . . A 51 THR C . 19855 1 318 . 1 1 51 51 THR CB C 13 73.922 0.3 . 1 . . . A 51 THR CB . 19855 1 319 . 1 1 51 51 THR CG2 C 13 22.066 0.3 . 1 . . . A 51 THR CG2 . 19855 1 320 . 1 1 51 51 THR N N 15 114.062 0.3 . 1 . . . A 51 THR N . 19855 1 321 . 1 1 52 52 ASP H H 1 8.108 0.020 . 1 . . . A 52 ASP H . 19855 1 322 . 1 1 52 52 ASP C C 13 176.584 0.3 . 1 . . . A 52 ASP C . 19855 1 323 . 1 1 52 52 ASP CB C 13 41.402 0.3 . 1 . . . A 52 ASP CB . 19855 1 324 . 1 1 52 52 ASP N N 15 97.070 0.3 . 1 . . . A 52 ASP N . 19855 1 325 . 1 1 53 53 GLY H H 1 7.990 0.020 . 1 . . . A 53 GLY H . 19855 1 326 . 1 1 53 53 GLY C C 13 174.215 0.3 . 1 . . . A 53 GLY C . 19855 1 327 . 1 1 53 53 GLY N N 15 97.070 0.3 . 1 . . . A 53 GLY N . 19855 1 328 . 1 1 54 54 GLU H H 1 7.726 0.020 . 1 . . . A 54 GLU H . 19855 1 329 . 1 1 54 54 GLU HB2 H 1 1.901 0.020 . 1 . . . A 54 GLU HB2 . 19855 1 330 . 1 1 54 54 GLU C C 13 175.982 0.3 . 1 . . . A 54 GLU C . 19855 1 331 . 1 1 54 54 GLU CB C 13 30.269 0.3 . 1 . . . A 54 GLU CB . 19855 1 332 . 1 1 54 54 GLU N N 15 96.680 0.3 . 1 . . . A 54 GLU N . 19855 1 333 . 1 1 55 55 ASP H H 1 8.440 0.020 . 1 . . . A 55 ASP H . 19855 1 334 . 1 1 55 55 ASP HB2 H 1 2.561 0.020 . 1 . . . A 55 ASP HB2 . 19855 1 335 . 1 1 55 55 ASP C C 13 175.857 0.3 . 1 . . . A 55 ASP C . 19855 1 336 . 1 1 55 55 ASP CB C 13 46.968 0.3 . 1 . . . A 55 ASP CB . 19855 1 337 . 1 1 55 55 ASP N N 15 96.484 0.3 . 1 . . . A 55 ASP N . 19855 1 338 . 1 1 56 56 ASP H H 1 7.756 0.020 . 1 . . . A 56 ASP H . 19855 1 339 . 1 1 56 56 ASP C C 13 175.795 0.3 . 1 . . . A 56 ASP C . 19855 1 340 . 1 1 56 56 ASP CB C 13 40.816 0.3 . 1 . . . A 56 ASP CB . 19855 1 341 . 1 1 56 56 ASP N N 15 96.484 0.3 . 1 . . . A 56 ASP N . 19855 1 342 . 1 1 57 57 VAL H H 1 8.274 0.020 . 1 . . . A 57 VAL H . 19855 1 343 . 1 1 57 57 VAL HB H 1 1.991 0.020 . 1 . . . A 57 VAL HB . 19855 1 344 . 1 1 57 57 VAL HG11 H 1 0.845 0.020 . 1 . . . A 57 VAL HG11 . 19855 1 345 . 1 1 57 57 VAL HG12 H 1 0.845 0.020 . 1 . . . A 57 VAL HG12 . 19855 1 346 . 1 1 57 57 VAL HG13 H 1 0.845 0.020 . 1 . . . A 57 VAL HG13 . 19855 1 347 . 1 1 57 57 VAL C C 13 175.567 0.3 . 1 . . . A 57 VAL C . 19855 1 348 . 1 1 57 57 VAL CB C 13 33.199 0.3 . 1 . . . A 57 VAL CB . 19855 1 349 . 1 1 57 57 VAL CG1 C 13 20.894 0.3 . 1 . . . A 57 VAL CG1 . 19855 1 350 . 1 1 57 57 VAL N N 15 96.094 0.3 . 1 . . . A 57 VAL N . 19855 1 351 . 1 1 58 58 PHE H H 1 5.262 0.020 . 1 . . . A 58 PHE H . 19855 1 352 . 1 1 58 58 PHE C C 13 174.537 0.3 . 1 . . . A 58 PHE C . 19855 1 353 . 1 1 58 58 PHE CB C 13 41.109 0.3 . 1 . . . A 58 PHE CB . 19855 1 354 . 1 1 58 58 PHE N N 15 96.094 0.3 . 1 . . . A 58 PHE N . 19855 1 355 . 1 1 59 59 ASP H H 1 8.411 0.020 . 1 . . . A 59 ASP H . 19855 1 356 . 1 1 59 59 ASP CB C 13 42.281 0.3 . 1 . . . A 59 ASP CB . 19855 1 357 . 1 1 59 59 ASP N N 15 95.898 0.3 . 1 . . . A 59 ASP N . 19855 1 358 . 1 1 60 60 PRO HB2 H 1 1.946 0.020 . 1 . . . A 60 PRO HB2 . 19855 1 359 . 1 1 60 60 PRO HD2 H 1 3.572 0.020 . 1 . . . A 60 PRO HD2 . 19855 1 360 . 1 1 60 60 PRO C C 13 176.830 0.3 . 1 . . . A 60 PRO C . 19855 1 361 . 1 1 60 60 PRO CB C 13 33.199 0.3 . 1 . . . A 60 PRO CB . 19855 1 362 . 1 1 60 60 PRO CD C 13 51.363 0.3 . 1 . . . A 60 PRO CD . 19855 1 363 . 1 1 60 60 PRO N N 15 95.898 0.3 . 1 . . . A 60 PRO N . 19855 1 364 . 1 1 61 61 ASP H H 1 8.147 0.020 . 1 . . . A 61 ASP H . 19855 1 365 . 1 1 61 61 ASP HB2 H 1 2.568 0.020 . 1 . . . A 61 ASP HB2 . 19855 1 366 . 1 1 61 61 ASP C C 13 176.348 0.3 . 1 . . . A 61 ASP C . 19855 1 367 . 1 1 61 61 ASP CB C 13 39.644 0.3 . 1 . . . A 61 ASP CB . 19855 1 368 . 1 1 61 61 ASP N N 15 95.508 0.3 . 1 . . . A 61 ASP N . 19855 1 369 . 1 1 62 62 LEU H H 1 8.333 0.020 . 1 . . . A 62 LEU H . 19855 1 370 . 1 1 62 62 LEU HD11 H 1 0.896 0.020 . 2 . . . A 62 LEU HD11 . 19855 1 371 . 1 1 62 62 LEU HD12 H 1 0.896 0.020 . 2 . . . A 62 LEU HD12 . 19855 1 372 . 1 1 62 62 LEU HD13 H 1 0.896 0.020 . 2 . . . A 62 LEU HD13 . 19855 1 373 . 1 1 62 62 LEU HD21 H 1 0.851 0.020 . 2 . . . A 62 LEU HD21 . 19855 1 374 . 1 1 62 62 LEU HD22 H 1 0.851 0.020 . 2 . . . A 62 LEU HD22 . 19855 1 375 . 1 1 62 62 LEU HD23 H 1 0.851 0.020 . 2 . . . A 62 LEU HD23 . 19855 1 376 . 1 1 62 62 LEU C C 13 177.087 0.3 . 1 . . . A 62 LEU C . 19855 1 377 . 1 1 62 62 LEU CB C 13 43.746 0.3 . 1 . . . A 62 LEU CB . 19855 1 378 . 1 1 62 62 LEU CD1 C 13 25.289 0.3 . 1 . . . A 62 LEU CD1 . 19855 1 379 . 1 1 62 62 LEU CD2 C 13 27.925 0.3 . 1 . . . A 62 LEU CD2 . 19855 1 380 . 1 1 62 62 LEU N N 15 95.313 0.3 . 1 . . . A 62 LEU N . 19855 1 381 . 1 1 63 63 ASP H H 1 8.127 0.020 . 1 . . . A 63 ASP H . 19855 1 382 . 1 1 63 63 ASP HB2 H 1 2.561 0.020 . 1 . . . A 63 ASP HB2 . 19855 1 383 . 1 1 63 63 ASP C C 13 176.075 0.3 . 1 . . . A 63 ASP C . 19855 1 384 . 1 1 63 63 ASP CB C 13 41.988 0.3 . 1 . . . A 63 ASP CB . 19855 1 385 . 1 1 63 63 ASP N N 15 95.313 0.3 . 1 . . . A 63 ASP N . 19855 1 386 . 1 1 64 64 MET H H 1 5.575 0.020 . 1 . . . A 64 MET H . 19855 1 387 . 1 1 64 64 MET CB C 13 36.422 0.3 . 1 . . . A 64 MET CB . 19855 1 388 . 1 1 64 64 MET N N 15 95.313 0.3 . 1 . . . A 64 MET N . 19855 1 389 . 1 1 65 65 GLU H H 1 8.225 0.020 . 1 . . . A 65 GLU H . 19855 1 390 . 1 1 65 65 GLU HG2 H 1 2.180 0.020 . 1 . . . A 65 GLU HG2 . 19855 1 391 . 1 1 65 65 GLU C C 13 176.208 0.3 . 1 . . . A 65 GLU C . 19855 1 392 . 1 1 65 65 GLU CB C 13 32.027 0.3 . 1 . . . A 65 GLU CB . 19855 1 393 . 1 1 65 65 GLU N N 15 95.117 0.3 . 1 . . . A 65 GLU N . 19855 1 394 . 1 1 66 66 VAL H H 1 8.010 0.020 . 1 . . . A 66 VAL H . 19855 1 395 . 1 1 66 66 VAL HG11 H 1 0.871 0.020 . 2 . . . A 66 VAL HG11 . 19855 1 396 . 1 1 66 66 VAL HG12 H 1 0.871 0.020 . 2 . . . A 66 VAL HG12 . 19855 1 397 . 1 1 66 66 VAL HG13 H 1 0.871 0.020 . 2 . . . A 66 VAL HG13 . 19855 1 398 . 1 1 66 66 VAL HG21 H 1 0.730 0.020 . 2 . . . A 66 VAL HG21 . 19855 1 399 . 1 1 66 66 VAL HG22 H 1 0.730 0.020 . 2 . . . A 66 VAL HG22 . 19855 1 400 . 1 1 66 66 VAL HG23 H 1 0.730 0.020 . 2 . . . A 66 VAL HG23 . 19855 1 401 . 1 1 66 66 VAL C C 13 175.656 0.3 . 1 . . . A 66 VAL C . 19855 1 402 . 1 1 66 66 VAL CB C 13 33.785 0.3 . 1 . . . A 66 VAL CB . 19855 1 403 . 1 1 66 66 VAL CG1 C 13 22.066 0.3 . 1 . . . A 66 VAL CG1 . 19855 1 404 . 1 1 66 66 VAL N N 15 95.117 0.3 . 1 . . . A 66 VAL N . 19855 1 405 . 1 1 67 67 VAL H H 1 8.000 0.020 . 1 . . . A 67 VAL H . 19855 1 406 . 1 1 67 67 VAL HB H 1 1.944 0.020 . 1 . . . A 67 VAL HB . 19855 1 407 . 1 1 67 67 VAL HG11 H 1 0.843 0.020 . 2 . . . A 67 VAL HG11 . 19855 1 408 . 1 1 67 67 VAL HG12 H 1 0.843 0.020 . 2 . . . A 67 VAL HG12 . 19855 1 409 . 1 1 67 67 VAL HG13 H 1 0.843 0.020 . 2 . . . A 67 VAL HG13 . 19855 1 410 . 1 1 67 67 VAL HG21 H 1 0.710 0.020 . 2 . . . A 67 VAL HG21 . 19855 1 411 . 1 1 67 67 VAL HG22 H 1 0.710 0.020 . 2 . . . A 67 VAL HG22 . 19855 1 412 . 1 1 67 67 VAL HG23 H 1 0.710 0.020 . 2 . . . A 67 VAL HG23 . 19855 1 413 . 1 1 67 67 VAL C C 13 175.643 0.3 . 1 . . . A 67 VAL C . 19855 1 414 . 1 1 67 67 VAL CB C 13 34.078 0.3 . 1 . . . A 67 VAL CB . 19855 1 415 . 1 1 67 67 VAL CG1 C 13 19.429 0.3 . 1 . . . A 67 VAL CG1 . 19855 1 416 . 1 1 67 67 VAL N N 15 94.922 0.3 . 1 . . . A 67 VAL N . 19855 1 417 . 1 1 68 68 PHE H H 1 7.912 0.020 . 1 . . . A 68 PHE H . 19855 1 418 . 1 1 68 68 PHE HB2 H 1 2.954 0.020 . 1 . . . A 68 PHE HB2 . 19855 1 419 . 1 1 68 68 PHE C C 13 175.499 0.3 . 1 . . . A 68 PHE C . 19855 1 420 . 1 1 68 68 PHE CB C 13 40.230 0.3 . 1 . . . A 68 PHE CB . 19855 1 421 . 1 1 68 68 PHE N N 15 94.531 0.3 . 1 . . . A 68 PHE N . 19855 1 422 . 1 1 69 69 GLU H H 1 8.323 0.020 . 1 . . . A 69 GLU H . 19855 1 423 . 1 1 69 69 GLU HB2 H 1 1.902 0.020 . 1 . . . A 69 GLU HB2 . 19855 1 424 . 1 1 69 69 GLU C C 13 176.182 0.3 . 1 . . . A 69 GLU C . 19855 1 425 . 1 1 69 69 GLU CB C 13 29.976 0.3 . 1 . . . A 69 GLU CB . 19855 1 426 . 1 1 69 69 GLU N N 15 94.141 0.3 . 1 . . . A 69 GLU N . 19855 1 427 . 1 1 70 70 THR H H 1 8.284 0.020 . 1 . . . A 70 THR H . 19855 1 428 . 1 1 70 70 THR HB H 1 4.205 0.020 . 1 . . . A 70 THR HB . 19855 1 429 . 1 1 70 70 THR HG21 H 1 1.202 0.020 . 1 . . . A 70 THR HG21 . 19855 1 430 . 1 1 70 70 THR HG22 H 1 1.202 0.020 . 1 . . . A 70 THR HG22 . 19855 1 431 . 1 1 70 70 THR HG23 H 1 1.202 0.020 . 1 . . . A 70 THR HG23 . 19855 1 432 . 1 1 70 70 THR C C 13 173.695 0.3 . 1 . . . A 70 THR C . 19855 1 433 . 1 1 70 70 THR CB C 13 69.820 0.3 . 1 . . . A 70 THR CB . 19855 1 434 . 1 1 70 70 THR CG2 C 13 23.238 0.3 . 1 . . . A 70 THR CG2 . 19855 1 435 . 1 1 70 70 THR N N 15 93.750 0.3 . 1 . . . A 70 THR N . 19855 1 436 . 1 1 71 71 GLN H H 1 8.606 0.020 . 1 . . . A 71 GLN H . 19855 1 437 . 1 1 71 71 GLN HB2 H 1 1.910 0.020 . 1 . . . A 71 GLN HB2 . 19855 1 438 . 1 1 71 71 GLN HE21 H 1 6.780 0.020 . 1 . . . A 71 GLN HE21 . 19855 1 439 . 1 1 71 71 GLN HE22 H 1 7.510 0.020 . 1 . . . A 71 GLN HE22 . 19855 1 440 . 1 1 71 71 GLN CB C 13 36.422 0.3 . 1 . . . A 71 GLN CB . 19855 1 441 . 1 1 71 71 GLN N N 15 92.188 0.3 . 1 . . . A 71 GLN N . 19855 1 stop_ save_