################################### # 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 16208 _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' . . . 16208 1 2 '3D HNCA' . . . 16208 1 3 '3D HCCH-TOCSY' . . . 16208 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 THR HA H 1 4.527 0.020 . 1 . . . . 2 THR HA . 16208 1 2 . 1 1 2 2 THR HB H 1 3.802 0.020 . 1 . . . . 2 THR HB . 16208 1 3 . 1 1 2 2 THR HG1 H 1 6.846 0.020 . 1 . . . . 2 THR HG1 . 16208 1 4 . 1 1 2 2 THR HG21 H 1 1.106 0.020 . 1 . . . . 2 THR HG21 . 16208 1 5 . 1 1 2 2 THR HG22 H 1 1.106 0.020 . 1 . . . . 2 THR HG22 . 16208 1 6 . 1 1 2 2 THR HG23 H 1 1.106 0.020 . 1 . . . . 2 THR HG23 . 16208 1 7 . 1 1 3 3 HIS H H 1 8.941 0.020 . 1 . . . . 3 HIS H . 16208 1 8 . 1 1 3 3 HIS HA H 1 5.346 0.020 . 1 . . . . 3 HIS HA . 16208 1 9 . 1 1 3 3 HIS HB2 H 1 3.049 0.020 . 2 . . . . 3 HIS HB2 . 16208 1 10 . 1 1 3 3 HIS HB3 H 1 2.952 0.020 . 2 . . . . 3 HIS HB3 . 16208 1 11 . 1 1 3 3 HIS CA C 13 52.961 0.400 . 1 . . . . 3 HIS CA . 16208 1 12 . 1 1 3 3 HIS CB C 13 30.460 0.400 . 1 . . . . 3 HIS CB . 16208 1 13 . 1 1 3 3 HIS N N 15 122.777 0.400 . 1 . . . . 3 HIS N . 16208 1 14 . 1 1 4 4 LEU H H 1 8.930 0.020 . 1 . . . . 4 LEU H . 16208 1 15 . 1 1 4 4 LEU HA H 1 5.183 0.020 . 1 . . . . 4 LEU HA . 16208 1 16 . 1 1 4 4 LEU HB2 H 1 1.422 0.020 . 2 . . . . 4 LEU HB2 . 16208 1 17 . 1 1 4 4 LEU HB3 H 1 1.216 0.020 . 2 . . . . 4 LEU HB3 . 16208 1 18 . 1 1 4 4 LEU HD11 H 1 0.584 0.020 . 2 . . . . 4 LEU HD11 . 16208 1 19 . 1 1 4 4 LEU HD12 H 1 0.584 0.020 . 2 . . . . 4 LEU HD12 . 16208 1 20 . 1 1 4 4 LEU HD13 H 1 0.584 0.020 . 2 . . . . 4 LEU HD13 . 16208 1 21 . 1 1 4 4 LEU HD21 H 1 0.595 0.020 . 2 . . . . 4 LEU HD21 . 16208 1 22 . 1 1 4 4 LEU HD22 H 1 0.595 0.020 . 2 . . . . 4 LEU HD22 . 16208 1 23 . 1 1 4 4 LEU HD23 H 1 0.595 0.020 . 2 . . . . 4 LEU HD23 . 16208 1 24 . 1 1 4 4 LEU HG H 1 1.412 0.020 . 1 . . . . 4 LEU HG . 16208 1 25 . 1 1 4 4 LEU CA C 13 51.085 0.400 . 1 . . . . 4 LEU CA . 16208 1 26 . 1 1 4 4 LEU CB C 13 43.585 0.400 . 1 . . . . 4 LEU CB . 16208 1 27 . 1 1 4 4 LEU CD1 C 13 23.897 0.400 . 1 . . . . 4 LEU CD1 . 16208 1 28 . 1 1 4 4 LEU CD2 C 13 22.020 0.400 . 1 . . . . 4 LEU CD2 . 16208 1 29 . 1 1 4 4 LEU CG C 13 24.833 0.400 . 1 . . . . 4 LEU CG . 16208 1 30 . 1 1 4 4 LEU N N 15 115.973 0.400 . 1 . . . . 4 LEU N . 16208 1 31 . 1 1 5 5 LYS H H 1 8.972 0.020 . 1 . . . . 5 LYS H . 16208 1 32 . 1 1 5 5 LYS HA H 1 4.703 0.020 . 1 . . . . 5 LYS HA . 16208 1 33 . 1 1 5 5 LYS HB2 H 1 1.762 0.020 . 2 . . . . 5 LYS HB2 . 16208 1 34 . 1 1 5 5 LYS HB3 H 1 1.565 0.020 . 2 . . . . 5 LYS HB3 . 16208 1 35 . 1 1 5 5 LYS HD2 H 1 1.550 0.020 . 1 . . . . 5 LYS HD2 . 16208 1 36 . 1 1 5 5 LYS HD3 H 1 1.550 0.020 . 1 . . . . 5 LYS HD3 . 16208 1 37 . 1 1 5 5 LYS HE2 H 1 2.912 0.020 . 1 . . . . 5 LYS HE2 . 16208 1 38 . 1 1 5 5 LYS HE3 H 1 2.912 0.020 . 1 . . . . 5 LYS HE3 . 16208 1 39 . 1 1 5 5 LYS HG2 H 1 1.256 0.020 . 1 . . . . 5 LYS HG2 . 16208 1 40 . 1 1 5 5 LYS HG3 H 1 1.256 0.020 . 1 . . . . 5 LYS HG3 . 16208 1 41 . 1 1 5 5 LYS CA C 13 53.899 0.400 . 1 . . . . 5 LYS CA . 16208 1 42 . 1 1 5 5 LYS CB C 13 31.397 0.400 . 1 . . . . 5 LYS CB . 16208 1 43 . 1 1 5 5 LYS CD C 13 26.704 0.400 . 1 . . . . 5 LYS CD . 16208 1 44 . 1 1 5 5 LYS CE C 13 39.830 0.400 . 1 . . . . 5 LYS CE . 16208 1 45 . 1 1 5 5 LYS CG C 13 17.543 0.400 . 1 . . . . 5 LYS CG . 16208 1 46 . 1 1 5 5 LYS N N 15 119.600 0.400 . 1 . . . . 5 LYS N . 16208 1 47 . 1 1 6 6 ILE H H 1 8.593 0.020 . 1 . . . . 6 ILE H . 16208 1 48 . 1 1 6 6 ILE HA H 1 5.051 0.020 . 1 . . . . 6 ILE HA . 16208 1 49 . 1 1 6 6 ILE HB H 1 1.257 0.020 . 1 . . . . 6 ILE HB . 16208 1 50 . 1 1 6 6 ILE HD11 H 1 0.641 0.020 . 1 . . . . 6 ILE HD11 . 16208 1 51 . 1 1 6 6 ILE HD12 H 1 0.641 0.020 . 1 . . . . 6 ILE HD12 . 16208 1 52 . 1 1 6 6 ILE HD13 H 1 0.641 0.020 . 1 . . . . 6 ILE HD13 . 16208 1 53 . 1 1 6 6 ILE HG12 H 1 1.272 0.020 . 1 . . . . 6 ILE HG12 . 16208 1 54 . 1 1 6 6 ILE HG13 H 1 1.272 0.020 . 1 . . . . 6 ILE HG13 . 16208 1 55 . 1 1 6 6 ILE HG21 H 1 0.840 0.020 . 1 . . . . 6 ILE HG21 . 16208 1 56 . 1 1 6 6 ILE HG22 H 1 0.840 0.020 . 1 . . . . 6 ILE HG22 . 16208 1 57 . 1 1 6 6 ILE HG23 H 1 0.840 0.020 . 1 . . . . 6 ILE HG23 . 16208 1 58 . 1 1 6 6 ILE CA C 13 56.711 0.400 . 1 . . . . 6 ILE CA . 16208 1 59 . 1 1 6 6 ILE CB C 13 38.898 0.400 . 1 . . . . 6 ILE CB . 16208 1 60 . 1 1 6 6 ILE CD1 C 13 15.459 0.400 . 1 . . . . 6 ILE CD1 . 16208 1 61 . 1 1 6 6 ILE CG1 C 13 25.772 0.400 . 1 . . . . 6 ILE CG1 . 16208 1 62 . 1 1 6 6 ILE N N 15 121.413 0.400 . 1 . . . . 6 ILE N . 16208 1 63 . 1 1 7 7 THR H H 1 9.213 0.020 . 1 . . . . 7 THR H . 16208 1 64 . 1 1 7 7 THR HA H 1 4.594 0.020 . 1 . . . . 7 THR HA . 16208 1 65 . 1 1 7 7 THR HB H 1 4.026 0.020 . 1 . . . . 7 THR HB . 16208 1 66 . 1 1 7 7 THR HG1 H 1 8.948 0.020 . 1 . . . . 7 THR HG1 . 16208 1 67 . 1 1 7 7 THR HG21 H 1 1.110 0.020 . 1 . . . . 7 THR HG21 . 16208 1 68 . 1 1 7 7 THR HG22 H 1 1.110 0.020 . 1 . . . . 7 THR HG22 . 16208 1 69 . 1 1 7 7 THR HG23 H 1 1.110 0.020 . 1 . . . . 7 THR HG23 . 16208 1 70 . 1 1 7 7 THR CA C 13 58.587 0.400 . 1 . . . . 7 THR CA . 16208 1 71 . 1 1 7 7 THR CG2 C 13 19.209 0.400 . 1 . . . . 7 THR CG2 . 16208 1 72 . 1 1 7 7 THR N N 15 119.373 0.400 . 1 . . . . 7 THR N . 16208 1 73 . 1 1 8 8 GLY HA2 H 1 4.652 0.020 . 2 . . . . 8 GLY HA2 . 16208 1 74 . 1 1 8 8 GLY HA3 H 1 3.586 0.020 . 2 . . . . 8 GLY HA3 . 16208 1 75 . 1 1 8 8 GLY CA C 13 42.646 0.400 . 1 . . . . 8 GLY CA . 16208 1 76 . 1 1 9 9 MET H H 1 8.533 0.020 . 1 . . . . 9 MET H . 16208 1 77 . 1 1 9 9 MET HA H 1 3.950 0.020 . 1 . . . . 9 MET HA . 16208 1 78 . 1 1 9 9 MET HB2 H 1 2.567 0.020 . 2 . . . . 9 MET HB2 . 16208 1 79 . 1 1 9 9 MET HB3 H 1 1.513 0.020 . 2 . . . . 9 MET HB3 . 16208 1 80 . 1 1 9 9 MET HE1 H 1 1.398 0.020 . 1 . . . . 9 MET HE1 . 16208 1 81 . 1 1 9 9 MET HE2 H 1 1.398 0.020 . 1 . . . . 9 MET HE2 . 16208 1 82 . 1 1 9 9 MET HE3 H 1 1.398 0.020 . 1 . . . . 9 MET HE3 . 16208 1 83 . 1 1 9 9 MET HG2 H 1 2.006 0.020 . 2 . . . . 9 MET HG2 . 16208 1 84 . 1 1 9 9 MET HG3 H 1 1.215 0.020 . 2 . . . . 9 MET HG3 . 16208 1 85 . 1 1 9 9 MET CA C 13 55.768 0.400 . 1 . . . . 9 MET CA . 16208 1 86 . 1 1 9 9 MET CB C 13 33.270 0.400 . 1 . . . . 9 MET CB . 16208 1 87 . 1 1 9 9 MET CG C 13 29.518 0.400 . 1 . . . . 9 MET CG . 16208 1 88 . 1 1 9 9 MET N N 15 114.387 0.400 . 1 . . . . 9 MET N . 16208 1 89 . 1 1 10 10 THR H H 1 8.110 0.020 . 1 . . . . 10 THR H . 16208 1 90 . 1 1 10 10 THR HA H 1 4.516 0.020 . 1 . . . . 10 THR HA . 16208 1 91 . 1 1 10 10 THR HB H 1 4.358 0.020 . 1 . . . . 10 THR HB . 16208 1 92 . 1 1 10 10 THR HG21 H 1 1.174 0.020 . 1 . . . . 10 THR HG21 . 16208 1 93 . 1 1 10 10 THR HG22 H 1 1.174 0.020 . 1 . . . . 10 THR HG22 . 16208 1 94 . 1 1 10 10 THR HG23 H 1 1.174 0.020 . 1 . . . . 10 THR HG23 . 16208 1 95 . 1 1 10 10 THR CA C 13 60.456 0.400 . 1 . . . . 10 THR CA . 16208 1 96 . 1 1 10 10 THR CG2 C 13 19.209 0.400 . 1 . . . . 10 THR CG2 . 16208 1 97 . 1 1 10 10 THR N N 15 106.000 0.400 . 1 . . . . 10 THR N . 16208 1 98 . 1 1 11 11 CYS H H 1 6.833 0.020 . 1 . . . . 11 CYS H . 16208 1 99 . 1 1 11 11 CYS HA H 1 3.774 0.020 . 1 . . . . 11 CYS HA . 16208 1 100 . 1 1 11 11 CYS HB2 H 1 3.618 0.020 . 2 . . . . 11 CYS HB2 . 16208 1 101 . 1 1 11 11 CYS HB3 H 1 3.326 0.020 . 2 . . . . 11 CYS HB3 . 16208 1 102 . 1 1 11 11 CYS CA C 13 54.831 0.400 . 1 . . . . 11 CYS CA . 16208 1 103 . 1 1 11 11 CYS CB C 13 28.579 0.400 . 1 . . . . 11 CYS CB . 16208 1 104 . 1 1 11 11 CYS N N 15 107.587 0.400 . 1 . . . . 11 CYS N . 16208 1 105 . 1 1 12 12 ASP H H 1 8.416 0.020 . 1 . . . . 12 ASP H . 16208 1 106 . 1 1 12 12 ASP HA H 1 4.196 0.020 . 1 . . . . 12 ASP HA . 16208 1 107 . 1 1 12 12 ASP HB2 H 1 3.350 0.020 . 1 . . . . 12 ASP HB2 . 16208 1 108 . 1 1 12 12 ASP HB3 H 1 3.350 0.020 . 1 . . . . 12 ASP HB3 . 16208 1 109 . 1 1 12 12 ASP CA C 13 55.774 0.400 . 1 . . . . 12 ASP CA . 16208 1 110 . 1 1 12 12 ASP N N 15 114.160 0.400 . 1 . . . . 12 ASP N . 16208 1 111 . 1 1 13 13 SER HA H 1 4.192 0.020 . 1 . . . . 13 SER HA . 16208 1 112 . 1 1 13 13 SER HB2 H 1 3.906 0.020 . 1 . . . . 13 SER HB2 . 16208 1 113 . 1 1 13 13 SER HB3 H 1 3.906 0.020 . 1 . . . . 13 SER HB3 . 16208 1 114 . 1 1 14 14 CYS H H 1 7.650 0.020 . 1 . . . . 14 CYS H . 16208 1 115 . 1 1 14 14 CYS HA H 1 4.195 0.020 . 1 . . . . 14 CYS HA . 16208 1 116 . 1 1 14 14 CYS HB2 H 1 3.268 0.020 . 2 . . . . 14 CYS HB2 . 16208 1 117 . 1 1 14 14 CYS HB3 H 1 3.102 0.020 . 2 . . . . 14 CYS HB3 . 16208 1 118 . 1 1 14 14 CYS CA C 13 60.456 0.400 . 1 . . . . 14 CYS CA . 16208 1 119 . 1 1 14 14 CYS CB C 13 29.516 0.400 . 1 . . . . 14 CYS CB . 16208 1 120 . 1 1 14 14 CYS N N 15 114.613 0.400 . 1 . . . . 14 CYS N . 16208 1 121 . 1 1 15 15 ALA H H 1 7.068 0.020 . 1 . . . . 15 ALA H . 16208 1 122 . 1 1 15 15 ALA HA H 1 3.955 0.020 . 1 . . . . 15 ALA HA . 16208 1 123 . 1 1 15 15 ALA HB1 H 1 1.378 0.020 . 1 . . . . 15 ALA HB1 . 16208 1 124 . 1 1 15 15 ALA HB2 H 1 1.378 0.020 . 1 . . . . 15 ALA HB2 . 16208 1 125 . 1 1 15 15 ALA HB3 H 1 1.378 0.020 . 1 . . . . 15 ALA HB3 . 16208 1 126 . 1 1 15 15 ALA CA C 13 52.958 0.400 . 1 . . . . 15 ALA CA . 16208 1 127 . 1 1 15 15 ALA CB C 13 16.396 0.400 . 1 . . . . 15 ALA CB . 16208 1 128 . 1 1 15 15 ALA N N 15 116.880 0.400 . 1 . . . . 15 ALA N . 16208 1 129 . 1 1 16 16 ALA H H 1 7.429 0.020 . 1 . . . . 16 ALA H . 16208 1 130 . 1 1 16 16 ALA HA H 1 4.047 0.020 . 1 . . . . 16 ALA HA . 16208 1 131 . 1 1 16 16 ALA HB1 H 1 1.359 0.020 . 1 . . . . 16 ALA HB1 . 16208 1 132 . 1 1 16 16 ALA HB2 H 1 1.359 0.020 . 1 . . . . 16 ALA HB2 . 16208 1 133 . 1 1 16 16 ALA HB3 H 1 1.359 0.020 . 1 . . . . 16 ALA HB3 . 16208 1 134 . 1 1 16 16 ALA CA C 13 52.960 0.400 . 1 . . . . 16 ALA CA . 16208 1 135 . 1 1 16 16 ALA CB C 13 15.459 0.400 . 1 . . . . 16 ALA CB . 16208 1 136 . 1 1 16 16 ALA N N 15 115.973 0.400 . 1 . . . . 16 ALA N . 16208 1 137 . 1 1 17 17 HIS H H 1 7.369 0.020 . 1 . . . . 17 HIS H . 16208 1 138 . 1 1 17 17 HIS HA H 1 4.578 0.020 . 1 . . . . 17 HIS HA . 16208 1 139 . 1 1 17 17 HIS HB2 H 1 3.408 0.020 . 2 . . . . 17 HIS HB2 . 16208 1 140 . 1 1 17 17 HIS HB3 H 1 3.283 0.020 . 2 . . . . 17 HIS HB3 . 16208 1 141 . 1 1 17 17 HIS HD2 H 1 6.215 0.020 . 1 . . . . 17 HIS HD2 . 16208 1 142 . 1 1 17 17 HIS CA C 13 55.772 0.400 . 1 . . . . 17 HIS CA . 16208 1 143 . 1 1 17 17 HIS CB C 13 27.641 0.400 . 1 . . . . 17 HIS CB . 16208 1 144 . 1 1 17 17 HIS N N 15 113.484 0.400 . 1 . . . . 17 HIS N . 16208 1 145 . 1 1 18 18 VAL H H 1 7.964 0.020 . 1 . . . . 18 VAL H . 16208 1 146 . 1 1 18 18 VAL HA H 1 3.412 0.020 . 1 . . . . 18 VAL HA . 16208 1 147 . 1 1 18 18 VAL HB H 1 2.125 0.020 . 1 . . . . 18 VAL HB . 16208 1 148 . 1 1 18 18 VAL HG11 H 1 0.740 0.020 . 2 . . . . 18 VAL HG11 . 16208 1 149 . 1 1 18 18 VAL HG12 H 1 0.740 0.020 . 2 . . . . 18 VAL HG12 . 16208 1 150 . 1 1 18 18 VAL HG13 H 1 0.740 0.020 . 2 . . . . 18 VAL HG13 . 16208 1 151 . 1 1 18 18 VAL HG21 H 1 0.990 0.020 . 2 . . . . 18 VAL HG21 . 16208 1 152 . 1 1 18 18 VAL HG22 H 1 0.990 0.020 . 2 . . . . 18 VAL HG22 . 16208 1 153 . 1 1 18 18 VAL HG23 H 1 0.990 0.020 . 2 . . . . 18 VAL HG23 . 16208 1 154 . 1 1 18 18 VAL CA C 13 65.150 0.400 . 1 . . . . 18 VAL CA . 16208 1 155 . 1 1 18 18 VAL CB C 13 29.522 0.400 . 1 . . . . 18 VAL CB . 16208 1 156 . 1 1 18 18 VAL CG1 C 13 21.081 0.400 . 1 . . . . 18 VAL CG1 . 16208 1 157 . 1 1 18 18 VAL CG2 C 13 22.957 0.400 . 1 . . . . 18 VAL CG2 . 16208 1 158 . 1 1 18 18 VAL N N 15 116.200 0.400 . 1 . . . . 18 VAL N . 16208 1 159 . 1 1 19 19 LYS H H 1 8.330 0.020 . 1 . . . . 19 LYS H . 16208 1 160 . 1 1 19 19 LYS HA H 1 3.416 0.020 . 1 . . . . 19 LYS HA . 16208 1 161 . 1 1 19 19 LYS HB2 H 1 1.928 0.020 . 2 . . . . 19 LYS HB2 . 16208 1 162 . 1 1 19 19 LYS HB3 H 1 1.703 0.020 . 2 . . . . 19 LYS HB3 . 16208 1 163 . 1 1 19 19 LYS HD2 H 1 1.762 0.020 . 2 . . . . 19 LYS HD2 . 16208 1 164 . 1 1 19 19 LYS HD3 H 1 1.604 0.020 . 2 . . . . 19 LYS HD3 . 16208 1 165 . 1 1 19 19 LYS HE2 H 1 3.171 0.020 . 2 . . . . 19 LYS HE2 . 16208 1 166 . 1 1 19 19 LYS HE3 H 1 3.025 0.020 . 2 . . . . 19 LYS HE3 . 16208 1 167 . 1 1 19 19 LYS HG2 H 1 1.473 0.020 . 2 . . . . 19 LYS HG2 . 16208 1 168 . 1 1 19 19 LYS HG3 H 1 1.082 0.020 . 2 . . . . 19 LYS HG3 . 16208 1 169 . 1 1 19 19 LYS CA C 13 58.585 0.400 . 1 . . . . 19 LYS CA . 16208 1 170 . 1 1 19 19 LYS CB C 13 31.396 0.400 . 1 . . . . 19 LYS CB . 16208 1 171 . 1 1 19 19 LYS CD C 13 28.579 0.400 . 1 . . . . 19 LYS CD . 16208 1 172 . 1 1 19 19 LYS CE C 13 39.834 0.400 . 1 . . . . 19 LYS CE . 16208 1 173 . 1 1 19 19 LYS CG C 13 22.016 0.400 . 1 . . . . 19 LYS CG . 16208 1 174 . 1 1 19 19 LYS N N 15 116.880 0.400 . 1 . . . . 19 LYS N . 16208 1 175 . 1 1 20 20 GLU H H 1 7.805 0.020 . 1 . . . . 20 GLU H . 16208 1 176 . 1 1 20 20 GLU HA H 1 3.941 0.020 . 1 . . . . 20 GLU HA . 16208 1 177 . 1 1 20 20 GLU HB2 H 1 2.016 0.020 . 1 . . . . 20 GLU HB2 . 16208 1 178 . 1 1 20 20 GLU HB3 H 1 2.016 0.020 . 1 . . . . 20 GLU HB3 . 16208 1 179 . 1 1 20 20 GLU HG2 H 1 2.343 0.020 . 2 . . . . 20 GLU HG2 . 16208 1 180 . 1 1 20 20 GLU HG3 H 1 2.134 0.020 . 2 . . . . 20 GLU HG3 . 16208 1 181 . 1 1 20 20 GLU CA C 13 56.711 0.400 . 1 . . . . 20 GLU CA . 16208 1 182 . 1 1 20 20 GLU CB C 13 27.647 0.400 . 1 . . . . 20 GLU CB . 16208 1 183 . 1 1 20 20 GLU CG C 13 34.210 0.400 . 1 . . . . 20 GLU CG . 16208 1 184 . 1 1 20 20 GLU N N 15 112.120 0.400 . 1 . . . . 20 GLU N . 16208 1 185 . 1 1 21 21 ALA H H 1 7.695 0.020 . 1 . . . . 21 ALA H . 16208 1 186 . 1 1 21 21 ALA HA H 1 3.975 0.020 . 1 . . . . 21 ALA HA . 16208 1 187 . 1 1 21 21 ALA HB1 H 1 1.347 0.020 . 1 . . . . 21 ALA HB1 . 16208 1 188 . 1 1 21 21 ALA HB2 H 1 1.347 0.020 . 1 . . . . 21 ALA HB2 . 16208 1 189 . 1 1 21 21 ALA HB3 H 1 1.347 0.020 . 1 . . . . 21 ALA HB3 . 16208 1 190 . 1 1 21 21 ALA CA C 13 52.961 0.400 . 1 . . . . 21 ALA CA . 16208 1 191 . 1 1 21 21 ALA CB C 13 17.334 0.400 . 1 . . . . 21 ALA CB . 16208 1 192 . 1 1 21 21 ALA N N 15 115.523 0.400 . 1 . . . . 21 ALA N . 16208 1 193 . 1 1 22 22 LEU H H 1 8.320 0.020 . 1 . . . . 22 LEU H . 16208 1 194 . 1 1 22 22 LEU HA H 1 3.861 0.020 . 1 . . . . 22 LEU HA . 16208 1 195 . 1 1 22 22 LEU HB2 H 1 1.749 0.020 . 2 . . . . 22 LEU HB2 . 16208 1 196 . 1 1 22 22 LEU HB3 H 1 0.952 0.020 . 2 . . . . 22 LEU HB3 . 16208 1 197 . 1 1 22 22 LEU HD11 H 1 0.737 0.020 . 2 . . . . 22 LEU HD11 . 16208 1 198 . 1 1 22 22 LEU HD12 H 1 0.737 0.020 . 2 . . . . 22 LEU HD12 . 16208 1 199 . 1 1 22 22 LEU HD13 H 1 0.737 0.020 . 2 . . . . 22 LEU HD13 . 16208 1 200 . 1 1 22 22 LEU HD21 H 1 0.451 0.020 . 2 . . . . 22 LEU HD21 . 16208 1 201 . 1 1 22 22 LEU HD22 H 1 0.451 0.020 . 2 . . . . 22 LEU HD22 . 16208 1 202 . 1 1 22 22 LEU HD23 H 1 0.451 0.020 . 2 . . . . 22 LEU HD23 . 16208 1 203 . 1 1 22 22 LEU HG H 1 1.560 0.020 . 1 . . . . 22 LEU HG . 16208 1 204 . 1 1 22 22 LEU CA C 13 55.668 0.400 . 1 . . . . 22 LEU CA . 16208 1 205 . 1 1 22 22 LEU CB C 13 39.834 0.400 . 1 . . . . 22 LEU CB . 16208 1 206 . 1 1 22 22 LEU CD2 C 13 24.834 0.400 . 1 . . . . 22 LEU CD2 . 16208 1 207 . 1 1 22 22 LEU CG C 13 24.834 0.400 . 1 . . . . 22 LEU CG . 16208 1 208 . 1 1 22 22 LEU N N 15 113.480 0.400 . 1 . . . . 22 LEU N . 16208 1 209 . 1 1 23 23 GLU H H 1 8.051 0.020 . 1 . . . . 23 GLU H . 16208 1 210 . 1 1 23 23 GLU HA H 1 3.704 0.020 . 1 . . . . 23 GLU HA . 16208 1 211 . 1 1 23 23 GLU HB2 H 1 1.940 0.020 . 1 . . . . 23 GLU HB2 . 16208 1 212 . 1 1 23 23 GLU HB3 H 1 1.940 0.020 . 1 . . . . 23 GLU HB3 . 16208 1 213 . 1 1 23 23 GLU HG2 H 1 2.543 0.020 . 2 . . . . 23 GLU HG2 . 16208 1 214 . 1 1 23 23 GLU HG3 H 1 1.813 0.020 . 2 . . . . 23 GLU HG3 . 16208 1 215 . 1 1 23 23 GLU CA C 13 55.774 0.400 . 1 . . . . 23 GLU CA . 16208 1 216 . 1 1 23 23 GLU CB C 13 26.709 0.400 . 1 . . . . 23 GLU CB . 16208 1 217 . 1 1 23 23 GLU CG C 13 37.023 0.400 . 1 . . . . 23 GLU CG . 16208 1 218 . 1 1 23 23 GLU N N 15 109.858 0.400 . 1 . . . . 23 GLU N . 16208 1 219 . 1 1 24 24 LYS H H 1 7.145 0.020 . 1 . . . . 24 LYS H . 16208 1 220 . 1 1 24 24 LYS HA H 1 4.204 0.020 . 1 . . . . 24 LYS HA . 16208 1 221 . 1 1 24 24 LYS HB2 H 1 1.914 0.020 . 2 . . . . 24 LYS HB2 . 16208 1 222 . 1 1 24 24 LYS HB3 H 1 1.719 0.020 . 2 . . . . 24 LYS HB3 . 16208 1 223 . 1 1 24 24 LYS HD2 H 1 1.583 0.020 . 1 . . . . 24 LYS HD2 . 16208 1 224 . 1 1 24 24 LYS HD3 H 1 1.583 0.020 . 1 . . . . 24 LYS HD3 . 16208 1 225 . 1 1 24 24 LYS HE2 H 1 2.845 0.020 . 1 . . . . 24 LYS HE2 . 16208 1 226 . 1 1 24 24 LYS HE3 H 1 2.845 0.020 . 1 . . . . 24 LYS HE3 . 16208 1 227 . 1 1 24 24 LYS HG2 H 1 1.414 0.020 . 1 . . . . 24 LYS HG2 . 16208 1 228 . 1 1 24 24 LYS HG3 H 1 1.414 0.020 . 1 . . . . 24 LYS HG3 . 16208 1 229 . 1 1 24 24 LYS CA C 13 53.899 0.400 . 1 . . . . 24 LYS CA . 16208 1 230 . 1 1 24 24 LYS CB C 13 31.397 0.400 . 1 . . . . 24 LYS CB . 16208 1 231 . 1 1 24 24 LYS CD C 13 27.647 0.400 . 1 . . . . 24 LYS CD . 16208 1 232 . 1 1 24 24 LYS CE C 13 39.835 0.400 . 1 . . . . 24 LYS CE . 16208 1 233 . 1 1 24 24 LYS CG C 13 22.959 0.400 . 1 . . . . 24 LYS CG . 16208 1 234 . 1 1 24 24 LYS N N 15 112.579 0.400 . 1 . . . . 24 LYS N . 16208 1 235 . 1 1 25 25 VAL H H 1 7.695 0.020 . 1 . . . . 25 VAL H . 16208 1 236 . 1 1 25 25 VAL HA H 1 4.004 0.020 . 1 . . . . 25 VAL HA . 16208 1 237 . 1 1 25 25 VAL HB H 1 2.270 0.020 . 1 . . . . 25 VAL HB . 16208 1 238 . 1 1 25 25 VAL HG11 H 1 0.742 0.020 . 2 . . . . 25 VAL HG11 . 16208 1 239 . 1 1 25 25 VAL HG12 H 1 0.742 0.020 . 2 . . . . 25 VAL HG12 . 16208 1 240 . 1 1 25 25 VAL HG13 H 1 0.742 0.020 . 2 . . . . 25 VAL HG13 . 16208 1 241 . 1 1 25 25 VAL HG21 H 1 0.955 0.020 . 2 . . . . 25 VAL HG21 . 16208 1 242 . 1 1 25 25 VAL HG22 H 1 0.955 0.020 . 2 . . . . 25 VAL HG22 . 16208 1 243 . 1 1 25 25 VAL HG23 H 1 0.955 0.020 . 2 . . . . 25 VAL HG23 . 16208 1 244 . 1 1 25 25 VAL CA C 13 59.524 0.400 . 1 . . . . 25 VAL CA . 16208 1 245 . 1 1 25 25 VAL CB C 13 30.460 0.400 . 1 . . . . 25 VAL CB . 16208 1 246 . 1 1 25 25 VAL CG1 C 13 18.270 0.400 . 1 . . . . 25 VAL CG1 . 16208 1 247 . 1 1 25 25 VAL CG2 C 13 21.084 0.400 . 1 . . . . 25 VAL CG2 . 16208 1 248 . 1 1 25 25 VAL N N 15 121.872 0.400 . 1 . . . . 25 VAL N . 16208 1 249 . 1 1 26 26 PRO HA H 1 4.111 0.020 . 1 . . . . 26 PRO HA . 16208 1 250 . 1 1 26 26 PRO HB2 H 1 2.184 0.020 . 2 . . . . 26 PRO HB2 . 16208 1 251 . 1 1 26 26 PRO HB3 H 1 1.823 0.020 . 2 . . . . 26 PRO HB3 . 16208 1 252 . 1 1 26 26 PRO HD2 H 1 3.543 0.020 . 1 . . . . 26 PRO HD2 . 16208 1 253 . 1 1 26 26 PRO HD3 H 1 3.543 0.020 . 1 . . . . 26 PRO HD3 . 16208 1 254 . 1 1 26 26 PRO HG2 H 1 1.956 0.020 . 1 . . . . 26 PRO HG2 . 16208 1 255 . 1 1 26 26 PRO HG3 H 1 1.956 0.020 . 1 . . . . 26 PRO HG3 . 16208 1 256 . 1 1 26 26 PRO CA C 13 62.337 0.400 . 1 . . . . 26 PRO CA . 16208 1 257 . 1 1 26 26 PRO CB C 13 29.522 0.400 . 1 . . . . 26 PRO CB . 16208 1 258 . 1 1 26 26 PRO CD C 13 49.211 0.400 . 1 . . . . 26 PRO CD . 16208 1 259 . 1 1 26 26 PRO CG C 13 25.772 0.400 . 1 . . . . 26 PRO CG . 16208 1 260 . 1 1 27 27 GLY H H 1 8.311 0.020 . 1 . . . . 27 GLY H . 16208 1 261 . 1 1 27 27 GLY HA2 H 1 4.780 0.020 . 2 . . . . 27 GLY HA2 . 16208 1 262 . 1 1 27 27 GLY HA3 H 1 3.266 0.020 . 2 . . . . 27 GLY HA3 . 16208 1 263 . 1 1 27 27 GLY CA C 13 42.647 0.400 . 1 . . . . 27 GLY CA . 16208 1 264 . 1 1 27 27 GLY N N 15 108.273 0.400 . 1 . . . . 27 GLY N . 16208 1 265 . 1 1 28 28 VAL H H 1 7.976 0.020 . 1 . . . . 28 VAL H . 16208 1 266 . 1 1 28 28 VAL HA H 1 3.963 0.020 . 1 . . . . 28 VAL HA . 16208 1 267 . 1 1 28 28 VAL HB H 1 2.297 0.020 . 1 . . . . 28 VAL HB . 16208 1 268 . 1 1 28 28 VAL HG11 H 1 0.530 0.020 . 2 . . . . 28 VAL HG11 . 16208 1 269 . 1 1 28 28 VAL HG12 H 1 0.530 0.020 . 2 . . . . 28 VAL HG12 . 16208 1 270 . 1 1 28 28 VAL HG13 H 1 0.530 0.020 . 2 . . . . 28 VAL HG13 . 16208 1 271 . 1 1 28 28 VAL HG21 H 1 0.731 0.020 . 2 . . . . 28 VAL HG21 . 16208 1 272 . 1 1 28 28 VAL HG22 H 1 0.731 0.020 . 2 . . . . 28 VAL HG22 . 16208 1 273 . 1 1 28 28 VAL HG23 H 1 0.731 0.020 . 2 . . . . 28 VAL HG23 . 16208 1 274 . 1 1 28 28 VAL CA C 13 61.398 0.400 . 1 . . . . 28 VAL CA . 16208 1 275 . 1 1 28 28 VAL CB C 13 29.522 0.400 . 1 . . . . 28 VAL CB . 16208 1 276 . 1 1 28 28 VAL CG1 C 13 20.146 0.400 . 1 . . . . 28 VAL CG1 . 16208 1 277 . 1 1 28 28 VAL CG2 C 13 22.020 0.400 . 1 . . . . 28 VAL CG2 . 16208 1 278 . 1 1 28 28 VAL N N 15 116.823 0.400 . 1 . . . . 28 VAL N . 16208 1 279 . 1 1 29 29 GLN H H 1 9.138 0.020 . 1 . . . . 29 GLN H . 16208 1 280 . 1 1 29 29 GLN HA H 1 4.232 0.020 . 1 . . . . 29 GLN HA . 16208 1 281 . 1 1 29 29 GLN HB2 H 1 1.887 0.020 . 1 . . . . 29 GLN HB2 . 16208 1 282 . 1 1 29 29 GLN HB3 H 1 1.887 0.020 . 1 . . . . 29 GLN HB3 . 16208 1 283 . 1 1 29 29 GLN HG2 H 1 2.085 0.020 . 1 . . . . 29 GLN HG2 . 16208 1 284 . 1 1 29 29 GLN HG3 H 1 2.085 0.020 . 1 . . . . 29 GLN HG3 . 16208 1 285 . 1 1 29 29 GLN CA C 13 54.833 0.400 . 1 . . . . 29 GLN CA . 16208 1 286 . 1 1 29 29 GLN CB C 13 27.644 0.400 . 1 . . . . 29 GLN CB . 16208 1 287 . 1 1 29 29 GLN CG C 13 32.335 0.400 . 1 . . . . 29 GLN CG . 16208 1 288 . 1 1 29 29 GLN N N 15 124.133 0.400 . 1 . . . . 29 GLN N . 16208 1 289 . 1 1 30 30 SER H H 1 7.664 0.020 . 1 . . . . 30 SER H . 16208 1 290 . 1 1 30 30 SER HA H 1 4.455 0.020 . 1 . . . . 30 SER HA . 16208 1 291 . 1 1 30 30 SER HB2 H 1 3.719 0.020 . 1 . . . . 30 SER HB2 . 16208 1 292 . 1 1 30 30 SER HB3 H 1 3.719 0.020 . 1 . . . . 30 SER HB3 . 16208 1 293 . 1 1 30 30 SER HG H 1 6.393 0.020 . 1 . . . . 30 SER HG . 16208 1 294 . 1 1 30 30 SER CA C 13 55.774 0.400 . 1 . . . . 30 SER CA . 16208 1 295 . 1 1 30 30 SER CB C 13 62.337 0.400 . 1 . . . . 30 SER CB . 16208 1 296 . 1 1 30 30 SER N N 15 106.007 0.400 . 1 . . . . 30 SER N . 16208 1 297 . 1 1 31 31 ALA H H 1 9.396 0.020 . 1 . . . . 31 ALA H . 16208 1 298 . 1 1 31 31 ALA HA H 1 4.891 0.020 . 1 . . . . 31 ALA HA . 16208 1 299 . 1 1 31 31 ALA HB1 H 1 1.041 0.020 . 1 . . . . 31 ALA HB1 . 16208 1 300 . 1 1 31 31 ALA HB2 H 1 1.041 0.020 . 1 . . . . 31 ALA HB2 . 16208 1 301 . 1 1 31 31 ALA HB3 H 1 1.041 0.020 . 1 . . . . 31 ALA HB3 . 16208 1 302 . 1 1 31 31 ALA CA C 13 49.210 0.400 . 1 . . . . 31 ALA CA . 16208 1 303 . 1 1 31 31 ALA CB C 13 21.084 0.400 . 1 . . . . 31 ALA CB . 16208 1 304 . 1 1 31 31 ALA N N 15 121.187 0.400 . 1 . . . . 31 ALA N . 16208 1 305 . 1 1 32 32 LEU H H 1 8.465 0.020 . 1 . . . . 32 LEU H . 16208 1 306 . 1 1 32 32 LEU HA H 1 4.575 0.020 . 1 . . . . 32 LEU HA . 16208 1 307 . 1 1 32 32 LEU HB2 H 1 1.546 0.020 . 1 . . . . 32 LEU HB2 . 16208 1 308 . 1 1 32 32 LEU HB3 H 1 1.546 0.020 . 1 . . . . 32 LEU HB3 . 16208 1 309 . 1 1 32 32 LEU HD11 H 1 0.732 0.020 . 1 . . . . 32 LEU HD11 . 16208 1 310 . 1 1 32 32 LEU HD12 H 1 0.732 0.020 . 1 . . . . 32 LEU HD12 . 16208 1 311 . 1 1 32 32 LEU HD13 H 1 0.732 0.020 . 1 . . . . 32 LEU HD13 . 16208 1 312 . 1 1 32 32 LEU HG H 1 1.452 0.020 . 1 . . . . 32 LEU HG . 16208 1 313 . 1 1 32 32 LEU CA C 13 52.024 0.400 . 1 . . . . 32 LEU CA . 16208 1 314 . 1 1 32 32 LEU CB C 13 41.710 0.400 . 1 . . . . 32 LEU CB . 16208 1 315 . 1 1 32 32 LEU CD1 C 13 22.022 0.400 . 1 . . . . 32 LEU CD1 . 16208 1 316 . 1 1 32 32 LEU N N 15 119.827 0.400 . 1 . . . . 32 LEU N . 16208 1 317 . 1 1 33 33 VAL H H 1 8.838 0.020 . 1 . . . . 33 VAL H . 16208 1 318 . 1 1 33 33 VAL HA H 1 4.509 0.020 . 1 . . . . 33 VAL HA . 16208 1 319 . 1 1 33 33 VAL HB H 1 1.937 0.020 . 1 . . . . 33 VAL HB . 16208 1 320 . 1 1 33 33 VAL HG11 H 1 0.729 0.020 . 2 . . . . 33 VAL HG11 . 16208 1 321 . 1 1 33 33 VAL HG12 H 1 0.729 0.020 . 2 . . . . 33 VAL HG12 . 16208 1 322 . 1 1 33 33 VAL HG13 H 1 0.729 0.020 . 2 . . . . 33 VAL HG13 . 16208 1 323 . 1 1 33 33 VAL HG21 H 1 0.596 0.020 . 2 . . . . 33 VAL HG21 . 16208 1 324 . 1 1 33 33 VAL HG22 H 1 0.596 0.020 . 2 . . . . 33 VAL HG22 . 16208 1 325 . 1 1 33 33 VAL HG23 H 1 0.596 0.020 . 2 . . . . 33 VAL HG23 . 16208 1 326 . 1 1 33 33 VAL CA C 13 58.587 0.400 . 1 . . . . 33 VAL CA . 16208 1 327 . 1 1 33 33 VAL CB C 13 30.767 0.400 . 1 . . . . 33 VAL CB . 16208 1 328 . 1 1 33 33 VAL CG1 C 13 16.569 0.400 . 1 . . . . 33 VAL CG1 . 16208 1 329 . 1 1 33 33 VAL CG2 C 13 18.268 0.400 . 1 . . . . 33 VAL CG2 . 16208 1 330 . 1 1 33 33 VAL N N 15 123.004 0.400 . 1 . . . . 33 VAL N . 16208 1 331 . 1 1 34 34 SER H H 1 8.634 0.020 . 1 . . . . 34 SER H . 16208 1 332 . 1 1 34 34 SER HA H 1 4.779 0.020 . 1 . . . . 34 SER HA . 16208 1 333 . 1 1 34 34 SER HB2 H 1 3.639 0.020 . 1 . . . . 34 SER HB2 . 16208 1 334 . 1 1 34 34 SER HB3 H 1 3.639 0.020 . 1 . . . . 34 SER HB3 . 16208 1 335 . 1 1 34 34 SER CA C 13 52.961 0.400 . 1 . . . . 34 SER CA . 16208 1 336 . 1 1 34 34 SER CB C 13 61.399 0.400 . 1 . . . . 34 SER CB . 16208 1 337 . 1 1 34 34 SER N N 15 116.886 0.400 . 1 . . . . 34 SER N . 16208 1 338 . 1 1 35 35 TYR H H 1 9.414 0.020 . 1 . . . . 35 TYR H . 16208 1 339 . 1 1 35 35 TYR HA H 1 4.579 0.020 . 1 . . . . 35 TYR HA . 16208 1 340 . 1 1 35 35 TYR HB2 H 1 3.135 0.020 . 2 . . . . 35 TYR HB2 . 16208 1 341 . 1 1 35 35 TYR HB3 H 1 3.049 0.020 . 2 . . . . 35 TYR HB3 . 16208 1 342 . 1 1 35 35 TYR HD1 H 1 6.818 0.020 . 1 . . . . 35 TYR HD1 . 16208 1 343 . 1 1 35 35 TYR HD2 H 1 6.818 0.020 . 1 . . . . 35 TYR HD2 . 16208 1 344 . 1 1 35 35 TYR HE1 H 1 6.986 0.020 . 1 . . . . 35 TYR HE1 . 16208 1 345 . 1 1 35 35 TYR HE2 H 1 6.986 0.020 . 1 . . . . 35 TYR HE2 . 16208 1 346 . 1 1 35 35 TYR CA C 13 58.587 0.400 . 1 . . . . 35 TYR CA . 16208 1 347 . 1 1 35 35 TYR CB C 13 33.272 0.400 . 1 . . . . 35 TYR CB . 16208 1 348 . 1 1 35 35 TYR N N 15 123.907 0.400 . 1 . . . . 35 TYR N . 16208 1 349 . 1 1 36 36 PRO HA H 1 3.374 0.020 . 1 . . . . 36 PRO HA . 16208 1 350 . 1 1 36 36 PRO HB2 H 1 2.028 0.020 . 2 . . . . 36 PRO HB2 . 16208 1 351 . 1 1 36 36 PRO HB3 H 1 1.444 0.020 . 2 . . . . 36 PRO HB3 . 16208 1 352 . 1 1 36 36 PRO HD2 H 1 3.738 0.020 . 1 . . . . 36 PRO HD2 . 16208 1 353 . 1 1 36 36 PRO HD3 H 1 3.738 0.020 . 1 . . . . 36 PRO HD3 . 16208 1 354 . 1 1 36 36 PRO HG2 H 1 1.892 0.020 . 2 . . . . 36 PRO HG2 . 16208 1 355 . 1 1 36 36 PRO HG3 H 1 1.692 0.020 . 2 . . . . 36 PRO HG3 . 16208 1 356 . 1 1 36 36 PRO CA C 13 63.275 0.400 . 1 . . . . 36 PRO CA . 16208 1 357 . 1 1 36 36 PRO CB C 13 29.522 0.400 . 1 . . . . 36 PRO CB . 16208 1 358 . 1 1 36 36 PRO CD C 13 48.273 0.400 . 1 . . . . 36 PRO CD . 16208 1 359 . 1 1 36 36 PRO CG C 13 25.772 0.400 . 1 . . . . 36 PRO CG . 16208 1 360 . 1 1 37 37 LYS H H 1 7.339 0.020 . 1 . . . . 37 LYS H . 16208 1 361 . 1 1 37 37 LYS HA H 1 4.122 0.020 . 1 . . . . 37 LYS HA . 16208 1 362 . 1 1 37 37 LYS HB2 H 1 1.756 0.020 . 2 . . . . 37 LYS HB2 . 16208 1 363 . 1 1 37 37 LYS HB3 H 1 1.516 0.020 . 2 . . . . 37 LYS HB3 . 16208 1 364 . 1 1 37 37 LYS HD2 H 1 1.458 0.020 . 1 . . . . 37 LYS HD2 . 16208 1 365 . 1 1 37 37 LYS HD3 H 1 1.458 0.020 . 1 . . . . 37 LYS HD3 . 16208 1 366 . 1 1 37 37 LYS HE2 H 1 2.803 0.020 . 1 . . . . 37 LYS HE2 . 16208 1 367 . 1 1 37 37 LYS HE3 H 1 2.803 0.020 . 1 . . . . 37 LYS HE3 . 16208 1 368 . 1 1 37 37 LYS HG2 H 1 1.203 0.020 . 1 . . . . 37 LYS HG2 . 16208 1 369 . 1 1 37 37 LYS HG3 H 1 1.203 0.020 . 1 . . . . 37 LYS HG3 . 16208 1 370 . 1 1 37 37 LYS CA C 13 53.899 0.400 . 1 . . . . 37 LYS CA . 16208 1 371 . 1 1 37 37 LYS CB C 13 31.394 0.400 . 1 . . . . 37 LYS CB . 16208 1 372 . 1 1 37 37 LYS CD C 13 26.704 0.400 . 1 . . . . 37 LYS CD . 16208 1 373 . 1 1 37 37 LYS CG C 13 23.891 0.400 . 1 . . . . 37 LYS CG . 16208 1 374 . 1 1 37 37 LYS N N 15 106.687 0.400 . 1 . . . . 37 LYS N . 16208 1 375 . 1 1 38 38 GLY H H 1 7.924 0.020 . 1 . . . . 38 GLY H . 16208 1 376 . 1 1 38 38 GLY HA2 H 1 3.935 0.020 . 2 . . . . 38 GLY HA2 . 16208 1 377 . 1 1 38 38 GLY HA3 H 1 3.549 0.020 . 2 . . . . 38 GLY HA3 . 16208 1 378 . 1 1 38 38 GLY CA C 13 44.523 0.400 . 1 . . . . 38 GLY CA . 16208 1 379 . 1 1 38 38 GLY N N 15 107.140 0.400 . 1 . . . . 38 GLY N . 16208 1 380 . 1 1 39 39 THR H H 1 7.576 0.020 . 1 . . . . 39 THR H . 16208 1 381 . 1 1 39 39 THR HA H 1 5.323 0.020 . 1 . . . . 39 THR HA . 16208 1 382 . 1 1 39 39 THR HB H 1 4.038 0.020 . 1 . . . . 39 THR HB . 16208 1 383 . 1 1 39 39 THR HG21 H 1 1.002 0.020 . 1 . . . . 39 THR HG21 . 16208 1 384 . 1 1 39 39 THR HG22 H 1 1.002 0.020 . 1 . . . . 39 THR HG22 . 16208 1 385 . 1 1 39 39 THR HG23 H 1 1.002 0.020 . 1 . . . . 39 THR HG23 . 16208 1 386 . 1 1 39 39 THR CA C 13 56.711 0.400 . 1 . . . . 39 THR CA . 16208 1 387 . 1 1 39 39 THR CG2 C 13 20.144 0.400 . 1 . . . . 39 THR CG2 . 16208 1 388 . 1 1 39 39 THR N N 15 103.286 0.400 . 1 . . . . 39 THR N . 16208 1 389 . 1 1 40 40 ALA H H 1 8.744 0.020 . 1 . . . . 40 ALA H . 16208 1 390 . 1 1 40 40 ALA HA H 1 5.230 0.020 . 1 . . . . 40 ALA HA . 16208 1 391 . 1 1 40 40 ALA HB1 H 1 0.999 0.020 . 1 . . . . 40 ALA HB1 . 16208 1 392 . 1 1 40 40 ALA HB2 H 1 0.999 0.020 . 1 . . . . 40 ALA HB2 . 16208 1 393 . 1 1 40 40 ALA HB3 H 1 0.999 0.020 . 1 . . . . 40 ALA HB3 . 16208 1 394 . 1 1 40 40 ALA CA C 13 48.273 0.400 . 1 . . . . 40 ALA CA . 16208 1 395 . 1 1 40 40 ALA CB C 13 22.020 0.400 . 1 . . . . 40 ALA CB . 16208 1 396 . 1 1 40 40 ALA N N 15 116.200 0.400 . 1 . . . . 40 ALA N . 16208 1 397 . 1 1 41 41 GLN H H 1 8.869 0.020 . 1 . . . . 41 GLN H . 16208 1 398 . 1 1 41 41 GLN HA H 1 4.781 0.020 . 1 . . . . 41 GLN HA . 16208 1 399 . 1 1 41 41 GLN HB2 H 1 1.867 0.020 . 1 . . . . 41 GLN HB2 . 16208 1 400 . 1 1 41 41 GLN HB3 H 1 1.867 0.020 . 1 . . . . 41 GLN HB3 . 16208 1 401 . 1 1 41 41 GLN HG2 H 1 2.024 0.020 . 1 . . . . 41 GLN HG2 . 16208 1 402 . 1 1 41 41 GLN HG3 H 1 2.024 0.020 . 1 . . . . 41 GLN HG3 . 16208 1 403 . 1 1 41 41 GLN CA C 13 52.961 0.400 . 1 . . . . 41 GLN CA . 16208 1 404 . 1 1 41 41 GLN N N 15 117.333 0.400 . 1 . . . . 41 GLN N . 16208 1 405 . 1 1 42 42 LEU H H 1 9.211 0.020 . 1 . . . . 42 LEU H . 16208 1 406 . 1 1 42 42 LEU HA H 1 5.184 0.020 . 1 . . . . 42 LEU HA . 16208 1 407 . 1 1 42 42 LEU HB2 H 1 1.423 0.020 . 1 . . . . 42 LEU HB2 . 16208 1 408 . 1 1 42 42 LEU HB3 H 1 1.423 0.020 . 1 . . . . 42 LEU HB3 . 16208 1 409 . 1 1 42 42 LEU HD11 H 1 0.771 0.020 . 2 . . . . 42 LEU HD11 . 16208 1 410 . 1 1 42 42 LEU HD12 H 1 0.771 0.020 . 2 . . . . 42 LEU HD12 . 16208 1 411 . 1 1 42 42 LEU HD13 H 1 0.771 0.020 . 2 . . . . 42 LEU HD13 . 16208 1 412 . 1 1 42 42 LEU HD21 H 1 0.728 0.020 . 2 . . . . 42 LEU HD21 . 16208 1 413 . 1 1 42 42 LEU HD22 H 1 0.728 0.020 . 2 . . . . 42 LEU HD22 . 16208 1 414 . 1 1 42 42 LEU HD23 H 1 0.728 0.020 . 2 . . . . 42 LEU HD23 . 16208 1 415 . 1 1 42 42 LEU HG H 1 1.356 0.020 . 1 . . . . 42 LEU HG . 16208 1 416 . 1 1 42 42 LEU CA C 13 52.023 0.400 . 1 . . . . 42 LEU CA . 16208 1 417 . 1 1 42 42 LEU CB C 13 43.586 0.400 . 1 . . . . 42 LEU CB . 16208 1 418 . 1 1 42 42 LEU CD1 C 13 24.831 0.400 . 1 . . . . 42 LEU CD1 . 16208 1 419 . 1 1 42 42 LEU CG C 13 25.770 0.400 . 1 . . . . 42 LEU CG . 16208 1 420 . 1 1 42 42 LEU N N 15 122.093 0.400 . 1 . . . . 42 LEU N . 16208 1 421 . 1 1 43 43 ALA H H 1 8.200 0.020 . 1 . . . . 43 ALA H . 16208 1 422 . 1 1 43 43 ALA HA H 1 4.794 0.020 . 1 . . . . 43 ALA HA . 16208 1 423 . 1 1 43 43 ALA HB1 H 1 1.276 0.020 . 1 . . . . 43 ALA HB1 . 16208 1 424 . 1 1 43 43 ALA HB2 H 1 1.276 0.020 . 1 . . . . 43 ALA HB2 . 16208 1 425 . 1 1 43 43 ALA HB3 H 1 1.276 0.020 . 1 . . . . 43 ALA HB3 . 16208 1 426 . 1 1 43 43 ALA CA C 13 49.211 0.400 . 1 . . . . 43 ALA CA . 16208 1 427 . 1 1 43 43 ALA CB C 13 17.334 0.400 . 1 . . . . 43 ALA CB . 16208 1 428 . 1 1 43 43 ALA N N 15 122.325 0.400 . 1 . . . . 43 ALA N . 16208 1 429 . 1 1 44 44 ILE H H 1 8.355 0.020 . 1 . . . . 44 ILE H . 16208 1 430 . 1 1 44 44 ILE HA H 1 5.323 0.020 . 1 . . . . 44 ILE HA . 16208 1 431 . 1 1 44 44 ILE HB H 1 1.714 0.020 . 1 . . . . 44 ILE HB . 16208 1 432 . 1 1 44 44 ILE HD11 H 1 0.684 0.020 . 1 . . . . 44 ILE HD11 . 16208 1 433 . 1 1 44 44 ILE HD12 H 1 0.684 0.020 . 1 . . . . 44 ILE HD12 . 16208 1 434 . 1 1 44 44 ILE HD13 H 1 0.684 0.020 . 1 . . . . 44 ILE HD13 . 16208 1 435 . 1 1 44 44 ILE HG12 H 1 1.036 0.020 . 1 . . . . 44 ILE HG12 . 16208 1 436 . 1 1 44 44 ILE HG13 H 1 1.036 0.020 . 1 . . . . 44 ILE HG13 . 16208 1 437 . 1 1 44 44 ILE HG21 H 1 0.772 0.020 . 1 . . . . 44 ILE HG21 . 16208 1 438 . 1 1 44 44 ILE HG22 H 1 0.772 0.020 . 1 . . . . 44 ILE HG22 . 16208 1 439 . 1 1 44 44 ILE HG23 H 1 0.772 0.020 . 1 . . . . 44 ILE HG23 . 16208 1 440 . 1 1 44 44 ILE CA C 13 55.773 0.400 . 1 . . . . 44 ILE CA . 16208 1 441 . 1 1 44 44 ILE CB C 13 38.898 0.400 . 1 . . . . 44 ILE CB . 16208 1 442 . 1 1 44 44 ILE CD1 C 13 11.708 0.400 . 1 . . . . 44 ILE CD1 . 16208 1 443 . 1 1 44 44 ILE CG2 C 13 17.334 0.400 . 1 . . . . 44 ILE CG2 . 16208 1 444 . 1 1 44 44 ILE N N 15 113.027 0.400 . 1 . . . . 44 ILE N . 16208 1 445 . 1 1 45 45 VAL H H 1 8.824 0.020 . 1 . . . . 45 VAL H . 16208 1 446 . 1 1 45 45 VAL HA H 1 4.214 0.020 . 1 . . . . 45 VAL HA . 16208 1 447 . 1 1 45 45 VAL HB H 1 1.882 0.020 . 1 . . . . 45 VAL HB . 16208 1 448 . 1 1 45 45 VAL HG11 H 1 0.925 0.020 . 2 . . . . 45 VAL HG11 . 16208 1 449 . 1 1 45 45 VAL HG12 H 1 0.925 0.020 . 2 . . . . 45 VAL HG12 . 16208 1 450 . 1 1 45 45 VAL HG13 H 1 0.925 0.020 . 2 . . . . 45 VAL HG13 . 16208 1 451 . 1 1 45 45 VAL HG21 H 1 0.933 0.020 . 2 . . . . 45 VAL HG21 . 16208 1 452 . 1 1 45 45 VAL HG22 H 1 0.933 0.020 . 2 . . . . 45 VAL HG22 . 16208 1 453 . 1 1 45 45 VAL HG23 H 1 0.933 0.020 . 2 . . . . 45 VAL HG23 . 16208 1 454 . 1 1 45 45 VAL CA C 13 58.587 0.400 . 1 . . . . 45 VAL CA . 16208 1 455 . 1 1 45 45 VAL CB C 13 30.459 0.400 . 1 . . . . 45 VAL CB . 16208 1 456 . 1 1 45 45 VAL CG1 C 13 18.925 0.400 . 1 . . . . 45 VAL CG1 . 16208 1 457 . 1 1 45 45 VAL N N 15 119.782 0.400 . 1 . . . . 45 VAL N . 16208 1 458 . 1 1 46 46 PRO HA H 1 4.224 0.020 . 1 . . . . 46 PRO HA . 16208 1 459 . 1 1 46 46 PRO HB2 H 1 2.219 0.020 . 2 . . . . 46 PRO HB2 . 16208 1 460 . 1 1 46 46 PRO HB3 H 1 1.784 0.020 . 2 . . . . 46 PRO HB3 . 16208 1 461 . 1 1 46 46 PRO HD2 H 1 3.913 0.020 . 2 . . . . 46 PRO HD2 . 16208 1 462 . 1 1 46 46 PRO HD3 H 1 3.581 0.020 . 2 . . . . 46 PRO HD3 . 16208 1 463 . 1 1 46 46 PRO HG2 H 1 2.044 0.020 . 1 . . . . 46 PRO HG2 . 16208 1 464 . 1 1 46 46 PRO HG3 H 1 2.044 0.020 . 1 . . . . 46 PRO HG3 . 16208 1 465 . 1 1 46 46 PRO CA C 13 62.337 0.400 . 1 . . . . 46 PRO CA . 16208 1 466 . 1 1 46 46 PRO CB C 13 29.522 0.400 . 1 . . . . 46 PRO CB . 16208 1 467 . 1 1 46 46 PRO CD C 13 49.211 0.400 . 1 . . . . 46 PRO CD . 16208 1 468 . 1 1 46 46 PRO CG C 13 25.772 0.400 . 1 . . . . 46 PRO CG . 16208 1 469 . 1 1 47 47 GLY H H 1 8.840 0.020 . 1 . . . . 47 GLY H . 16208 1 470 . 1 1 47 47 GLY HA2 H 1 4.258 0.020 . 2 . . . . 47 GLY HA2 . 16208 1 471 . 1 1 47 47 GLY HA3 H 1 3.477 0.020 . 2 . . . . 47 GLY HA3 . 16208 1 472 . 1 1 47 47 GLY CA C 13 42.648 0.400 . 1 . . . . 47 GLY CA . 16208 1 473 . 1 1 48 48 THR H H 1 7.713 0.020 . 1 . . . . 48 THR H . 16208 1 474 . 1 1 48 48 THR HA H 1 3.838 0.020 . 1 . . . . 48 THR HA . 16208 1 475 . 1 1 48 48 THR HB H 1 3.826 0.020 . 1 . . . . 48 THR HB . 16208 1 476 . 1 1 48 48 THR HG1 H 1 6.228 0.020 . 1 . . . . 48 THR HG1 . 16208 1 477 . 1 1 48 48 THR HG21 H 1 1.056 0.020 . 1 . . . . 48 THR HG21 . 16208 1 478 . 1 1 48 48 THR HG22 H 1 1.056 0.020 . 1 . . . . 48 THR HG22 . 16208 1 479 . 1 1 48 48 THR HG23 H 1 1.056 0.020 . 1 . . . . 48 THR HG23 . 16208 1 480 . 1 1 48 48 THR CA C 13 62.337 0.400 . 1 . . . . 48 THR CA . 16208 1 481 . 1 1 48 48 THR CB C 13 67.025 0.400 . 1 . . . . 48 THR CB . 16208 1 482 . 1 1 48 48 THR CG2 C 13 18.266 0.400 . 1 . . . . 48 THR CG2 . 16208 1 483 . 1 1 48 48 THR N N 15 115.752 0.400 . 1 . . . . 48 THR N . 16208 1 484 . 1 1 49 49 SER H H 1 8.830 0.020 . 1 . . . . 49 SER H . 16208 1 485 . 1 1 49 49 SER HA H 1 4.599 0.020 . 1 . . . . 49 SER HA . 16208 1 486 . 1 1 49 49 SER HB2 H 1 3.314 0.020 . 1 . . . . 49 SER HB2 . 16208 1 487 . 1 1 49 49 SER HB3 H 1 3.314 0.020 . 1 . . . . 49 SER HB3 . 16208 1 488 . 1 1 49 49 SER CA C 13 53.899 0.400 . 1 . . . . 49 SER CA . 16208 1 489 . 1 1 49 49 SER CB C 13 62.337 0.400 . 1 . . . . 49 SER CB . 16208 1 490 . 1 1 49 49 SER N N 15 119.827 0.400 . 1 . . . . 49 SER N . 16208 1 491 . 1 1 50 50 PRO HA H 1 4.104 0.020 . 1 . . . . 50 PRO HA . 16208 1 492 . 1 1 50 50 PRO HB2 H 1 2.205 0.020 . 2 . . . . 50 PRO HB2 . 16208 1 493 . 1 1 50 50 PRO HB3 H 1 1.977 0.020 . 2 . . . . 50 PRO HB3 . 16208 1 494 . 1 1 50 50 PRO HD2 H 1 4.035 0.020 . 1 . . . . 50 PRO HD2 . 16208 1 495 . 1 1 50 50 PRO HD3 H 1 4.035 0.020 . 1 . . . . 50 PRO HD3 . 16208 1 496 . 1 1 50 50 PRO HG2 H 1 1.860 0.020 . 1 . . . . 50 PRO HG2 . 16208 1 497 . 1 1 50 50 PRO HG3 H 1 1.860 0.020 . 1 . . . . 50 PRO HG3 . 16208 1 498 . 1 1 50 50 PRO CA C 13 63.275 0.400 . 1 . . . . 50 PRO CA . 16208 1 499 . 1 1 50 50 PRO CB C 13 30.460 0.400 . 1 . . . . 50 PRO CB . 16208 1 500 . 1 1 50 50 PRO CD C 13 49.211 0.400 . 1 . . . . 50 PRO CD . 16208 1 501 . 1 1 50 50 PRO CG C 13 25.772 0.400 . 1 . . . . 50 PRO CG . 16208 1 502 . 1 1 51 51 ASP H H 1 7.791 0.020 . 1 . . . . 51 ASP H . 16208 1 503 . 1 1 51 51 ASP HA H 1 4.391 0.020 . 1 . . . . 51 ASP HA . 16208 1 504 . 1 1 51 51 ASP HB2 H 1 2.558 0.020 . 2 . . . . 51 ASP HB2 . 16208 1 505 . 1 1 51 51 ASP HB3 H 1 2.344 0.020 . 2 . . . . 51 ASP HB3 . 16208 1 506 . 1 1 51 51 ASP CA C 13 53.899 0.400 . 1 . . . . 51 ASP CA . 16208 1 507 . 1 1 51 51 ASP CB C 13 37.960 0.400 . 1 . . . . 51 ASP CB . 16208 1 508 . 1 1 51 51 ASP N N 15 111.899 0.400 . 1 . . . . 51 ASP N . 16208 1 509 . 1 1 52 52 ALA H H 1 7.630 0.020 . 1 . . . . 52 ALA H . 16208 1 510 . 1 1 52 52 ALA HA H 1 4.095 0.020 . 1 . . . . 52 ALA HA . 16208 1 511 . 1 1 52 52 ALA HB1 H 1 1.438 0.020 . 1 . . . . 52 ALA HB1 . 16208 1 512 . 1 1 52 52 ALA HB2 H 1 1.438 0.020 . 1 . . . . 52 ALA HB2 . 16208 1 513 . 1 1 52 52 ALA HB3 H 1 1.438 0.020 . 1 . . . . 52 ALA HB3 . 16208 1 514 . 1 1 52 52 ALA CA C 13 52.024 0.400 . 1 . . . . 52 ALA CA . 16208 1 515 . 1 1 52 52 ALA CB C 13 16.396 0.400 . 1 . . . . 52 ALA CB . 16208 1 516 . 1 1 52 52 ALA N N 15 117.791 0.400 . 1 . . . . 52 ALA N . 16208 1 517 . 1 1 53 53 LEU H H 1 7.427 0.020 . 1 . . . . 53 LEU H . 16208 1 518 . 1 1 53 53 LEU HA H 1 3.868 0.020 . 1 . . . . 53 LEU HA . 16208 1 519 . 1 1 53 53 LEU HB2 H 1 2.140 0.020 . 2 . . . . 53 LEU HB2 . 16208 1 520 . 1 1 53 53 LEU HB3 H 1 1.054 0.020 . 2 . . . . 53 LEU HB3 . 16208 1 521 . 1 1 53 53 LEU HD11 H 1 0.706 0.020 . 2 . . . . 53 LEU HD11 . 16208 1 522 . 1 1 53 53 LEU HD12 H 1 0.706 0.020 . 2 . . . . 53 LEU HD12 . 16208 1 523 . 1 1 53 53 LEU HD13 H 1 0.706 0.020 . 2 . . . . 53 LEU HD13 . 16208 1 524 . 1 1 53 53 LEU HD21 H 1 0.540 0.020 . 2 . . . . 53 LEU HD21 . 16208 1 525 . 1 1 53 53 LEU HD22 H 1 0.540 0.020 . 2 . . . . 53 LEU HD22 . 16208 1 526 . 1 1 53 53 LEU HD23 H 1 0.540 0.020 . 2 . . . . 53 LEU HD23 . 16208 1 527 . 1 1 53 53 LEU HG H 1 1.891 0.020 . 1 . . . . 53 LEU HG . 16208 1 528 . 1 1 53 53 LEU CA C 13 54.835 0.400 . 1 . . . . 53 LEU CA . 16208 1 529 . 1 1 53 53 LEU CB C 13 39.835 0.400 . 1 . . . . 53 LEU CB . 16208 1 530 . 1 1 53 53 LEU CD1 C 13 23.194 0.400 . 1 . . . . 53 LEU CD1 . 16208 1 531 . 1 1 53 53 LEU CD2 C 13 21.084 0.400 . 1 . . . . 53 LEU CD2 . 16208 1 532 . 1 1 53 53 LEU CG C 13 23.897 0.400 . 1 . . . . 53 LEU CG . 16208 1 533 . 1 1 53 53 LEU N N 15 111.900 0.400 . 1 . . . . 53 LEU N . 16208 1 534 . 1 1 54 54 THR H H 1 8.070 0.020 . 1 . . . . 54 THR H . 16208 1 535 . 1 1 54 54 THR HA H 1 3.639 0.020 . 1 . . . . 54 THR HA . 16208 1 536 . 1 1 54 54 THR HB H 1 4.276 0.020 . 1 . . . . 54 THR HB . 16208 1 537 . 1 1 54 54 THR HG21 H 1 1.057 0.020 . 1 . . . . 54 THR HG21 . 16208 1 538 . 1 1 54 54 THR HG22 H 1 1.057 0.020 . 1 . . . . 54 THR HG22 . 16208 1 539 . 1 1 54 54 THR HG23 H 1 1.057 0.020 . 1 . . . . 54 THR HG23 . 16208 1 540 . 1 1 54 54 THR CA C 13 63.274 0.400 . 1 . . . . 54 THR CA . 16208 1 541 . 1 1 54 54 THR CB C 13 65.148 0.400 . 1 . . . . 54 THR CB . 16208 1 542 . 1 1 54 54 THR CG2 C 13 20.146 0.400 . 1 . . . . 54 THR CG2 . 16208 1 543 . 1 1 54 54 THR N N 15 104.646 0.400 . 1 . . . . 54 THR N . 16208 1 544 . 1 1 55 55 ALA H H 1 8.061 0.020 . 1 . . . . 55 ALA H . 16208 1 545 . 1 1 55 55 ALA HA H 1 4.122 0.020 . 1 . . . . 55 ALA HA . 16208 1 546 . 1 1 55 55 ALA HB1 H 1 1.395 0.020 . 1 . . . . 55 ALA HB1 . 16208 1 547 . 1 1 55 55 ALA HB2 H 1 1.395 0.020 . 1 . . . . 55 ALA HB2 . 16208 1 548 . 1 1 55 55 ALA HB3 H 1 1.395 0.020 . 1 . . . . 55 ALA HB3 . 16208 1 549 . 1 1 55 55 ALA CA C 13 52.961 0.400 . 1 . . . . 55 ALA CA . 16208 1 550 . 1 1 55 55 ALA CB C 13 16.391 0.400 . 1 . . . . 55 ALA CB . 16208 1 551 . 1 1 55 55 ALA N N 15 121.187 0.400 . 1 . . . . 55 ALA N . 16208 1 552 . 1 1 56 56 ALA H H 1 7.423 0.020 . 1 . . . . 56 ALA H . 16208 1 553 . 1 1 56 56 ALA HA H 1 4.019 0.020 . 1 . . . . 56 ALA HA . 16208 1 554 . 1 1 56 56 ALA HB1 H 1 1.283 0.020 . 1 . . . . 56 ALA HB1 . 16208 1 555 . 1 1 56 56 ALA HB2 H 1 1.283 0.020 . 1 . . . . 56 ALA HB2 . 16208 1 556 . 1 1 56 56 ALA HB3 H 1 1.283 0.020 . 1 . . . . 56 ALA HB3 . 16208 1 557 . 1 1 56 56 ALA CA C 13 52.024 0.400 . 1 . . . . 56 ALA CA . 16208 1 558 . 1 1 56 56 ALA CB C 13 15.459 0.400 . 1 . . . . 56 ALA CB . 16208 1 559 . 1 1 56 56 ALA N N 15 116.659 0.400 . 1 . . . . 56 ALA N . 16208 1 560 . 1 1 57 57 VAL H H 1 7.132 0.020 . 1 . . . . 57 VAL H . 16208 1 561 . 1 1 57 57 VAL HA H 1 3.458 0.020 . 1 . . . . 57 VAL HA . 16208 1 562 . 1 1 57 57 VAL HB H 1 1.954 0.020 . 1 . . . . 57 VAL HB . 16208 1 563 . 1 1 57 57 VAL HG11 H 1 0.871 0.020 . 2 . . . . 57 VAL HG11 . 16208 1 564 . 1 1 57 57 VAL HG12 H 1 0.871 0.020 . 2 . . . . 57 VAL HG12 . 16208 1 565 . 1 1 57 57 VAL HG13 H 1 0.871 0.020 . 2 . . . . 57 VAL HG13 . 16208 1 566 . 1 1 57 57 VAL HG21 H 1 0.832 0.020 . 2 . . . . 57 VAL HG21 . 16208 1 567 . 1 1 57 57 VAL HG22 H 1 0.832 0.020 . 2 . . . . 57 VAL HG22 . 16208 1 568 . 1 1 57 57 VAL HG23 H 1 0.832 0.020 . 2 . . . . 57 VAL HG23 . 16208 1 569 . 1 1 57 57 VAL CA C 13 64.212 0.400 . 1 . . . . 57 VAL CA . 16208 1 570 . 1 1 57 57 VAL CB C 13 29.520 0.400 . 1 . . . . 57 VAL CB . 16208 1 571 . 1 1 57 57 VAL CG1 C 13 22.020 0.400 . 1 . . . . 57 VAL CG1 . 16208 1 572 . 1 1 57 57 VAL CG2 C 13 21.084 0.400 . 1 . . . . 57 VAL CG2 . 16208 1 573 . 1 1 57 57 VAL N N 15 110.533 0.400 . 1 . . . . 57 VAL N . 16208 1 574 . 1 1 58 58 ALA H H 1 8.212 0.020 . 1 . . . . 58 ALA H . 16208 1 575 . 1 1 58 58 ALA HA H 1 4.911 0.020 . 1 . . . . 58 ALA HA . 16208 1 576 . 1 1 58 58 ALA HB1 H 1 1.457 0.020 . 1 . . . . 58 ALA HB1 . 16208 1 577 . 1 1 58 58 ALA HB2 H 1 1.457 0.020 . 1 . . . . 58 ALA HB2 . 16208 1 578 . 1 1 58 58 ALA HB3 H 1 1.457 0.020 . 1 . . . . 58 ALA HB3 . 16208 1 579 . 1 1 58 58 ALA CA C 13 52.024 0.400 . 1 . . . . 58 ALA CA . 16208 1 580 . 1 1 58 58 ALA CB C 13 15.457 0.400 . 1 . . . . 58 ALA CB . 16208 1 581 . 1 1 58 58 ALA N N 15 119.373 0.400 . 1 . . . . 58 ALA N . 16208 1 582 . 1 1 59 59 GLY H H 1 8.018 0.020 . 1 . . . . 59 GLY H . 16208 1 583 . 1 1 59 59 GLY HA2 H 1 3.912 0.020 . 1 . . . . 59 GLY HA2 . 16208 1 584 . 1 1 59 59 GLY HA3 H 1 3.912 0.020 . 1 . . . . 59 GLY HA3 . 16208 1 585 . 1 1 59 59 GLY N N 15 101.699 0.400 . 1 . . . . 59 GLY N . 16208 1 586 . 1 1 60 60 LEU H H 1 7.305 0.020 . 1 . . . . 60 LEU H . 16208 1 587 . 1 1 60 60 LEU HA H 1 4.170 0.020 . 1 . . . . 60 LEU HA . 16208 1 588 . 1 1 60 60 LEU HB2 H 1 1.656 0.020 . 2 . . . . 60 LEU HB2 . 16208 1 589 . 1 1 60 60 LEU HB3 H 1 1.395 0.020 . 2 . . . . 60 LEU HB3 . 16208 1 590 . 1 1 60 60 LEU HD11 H 1 0.802 0.020 . 2 . . . . 60 LEU HD11 . 16208 1 591 . 1 1 60 60 LEU HD12 H 1 0.802 0.020 . 2 . . . . 60 LEU HD12 . 16208 1 592 . 1 1 60 60 LEU HD13 H 1 0.802 0.020 . 2 . . . . 60 LEU HD13 . 16208 1 593 . 1 1 60 60 LEU HD21 H 1 0.678 0.020 . 2 . . . . 60 LEU HD21 . 16208 1 594 . 1 1 60 60 LEU HD22 H 1 0.678 0.020 . 2 . . . . 60 LEU HD22 . 16208 1 595 . 1 1 60 60 LEU HD23 H 1 0.678 0.020 . 2 . . . . 60 LEU HD23 . 16208 1 596 . 1 1 60 60 LEU HG H 1 1.647 0.020 . 1 . . . . 60 LEU HG . 16208 1 597 . 1 1 60 60 LEU CA C 13 52.024 0.400 . 1 . . . . 60 LEU CA . 16208 1 598 . 1 1 60 60 LEU CB C 13 40.767 0.400 . 1 . . . . 60 LEU CB . 16208 1 599 . 1 1 60 60 LEU CD2 C 13 21.084 0.400 . 1 . . . . 60 LEU CD2 . 16208 1 600 . 1 1 60 60 LEU CG C 13 24.833 0.400 . 1 . . . . 60 LEU CG . 16208 1 601 . 1 1 60 60 LEU N N 15 113.939 0.400 . 1 . . . . 60 LEU N . 16208 1 602 . 1 1 61 61 GLY H H 1 7.760 0.020 . 1 . . . . 61 GLY H . 16208 1 603 . 1 1 61 61 GLY HA2 H 1 3.878 0.020 . 2 . . . . 61 GLY HA2 . 16208 1 604 . 1 1 61 61 GLY HA3 H 1 3.457 0.020 . 2 . . . . 61 GLY HA3 . 16208 1 605 . 1 1 61 61 GLY CA C 13 42.648 0.400 . 1 . . . . 61 GLY CA . 16208 1 606 . 1 1 61 61 GLY N N 15 99.880 0.400 . 1 . . . . 61 GLY N . 16208 1 607 . 1 1 62 62 TYR H H 1 6.742 0.020 . 1 . . . . 62 TYR H . 16208 1 608 . 1 1 62 62 TYR HA H 1 4.998 0.020 . 1 . . . . 62 TYR HA . 16208 1 609 . 1 1 62 62 TYR HB2 H 1 3.328 0.020 . 2 . . . . 62 TYR HB2 . 16208 1 610 . 1 1 62 62 TYR HB3 H 1 2.287 0.020 . 2 . . . . 62 TYR HB3 . 16208 1 611 . 1 1 62 62 TYR HD1 H 1 6.596 0.020 . 1 . . . . 62 TYR HD1 . 16208 1 612 . 1 1 62 62 TYR HD2 H 1 6.596 0.020 . 1 . . . . 62 TYR HD2 . 16208 1 613 . 1 1 62 62 TYR HE1 H 1 6.746 0.020 . 1 . . . . 62 TYR HE1 . 16208 1 614 . 1 1 62 62 TYR HE2 H 1 6.746 0.020 . 1 . . . . 62 TYR HE2 . 16208 1 615 . 1 1 62 62 TYR CA C 13 52.018 0.400 . 1 . . . . 62 TYR CA . 16208 1 616 . 1 1 62 62 TYR CB C 13 37.022 0.400 . 1 . . . . 62 TYR CB . 16208 1 617 . 1 1 62 62 TYR N N 15 114.846 0.400 . 1 . . . . 62 TYR N . 16208 1 618 . 1 1 63 63 LYS H H 1 8.029 0.020 . 1 . . . . 63 LYS H . 16208 1 619 . 1 1 63 63 LYS HA H 1 4.667 0.020 . 1 . . . . 63 LYS HA . 16208 1 620 . 1 1 63 63 LYS HB2 H 1 1.629 0.020 . 1 . . . . 63 LYS HB2 . 16208 1 621 . 1 1 63 63 LYS HB3 H 1 1.629 0.020 . 1 . . . . 63 LYS HB3 . 16208 1 622 . 1 1 63 63 LYS HD2 H 1 1.548 0.020 . 1 . . . . 63 LYS HD2 . 16208 1 623 . 1 1 63 63 LYS HD3 H 1 1.548 0.020 . 1 . . . . 63 LYS HD3 . 16208 1 624 . 1 1 63 63 LYS HE2 H 1 2.806 0.020 . 1 . . . . 63 LYS HE2 . 16208 1 625 . 1 1 63 63 LYS HE3 H 1 2.806 0.020 . 1 . . . . 63 LYS HE3 . 16208 1 626 . 1 1 63 63 LYS HG2 H 1 1.268 0.020 . 1 . . . . 63 LYS HG2 . 16208 1 627 . 1 1 63 63 LYS HG3 H 1 1.268 0.020 . 1 . . . . 63 LYS HG3 . 16208 1 628 . 1 1 63 63 LYS CA C 13 52.961 0.400 . 1 . . . . 63 LYS CA . 16208 1 629 . 1 1 63 63 LYS CB C 13 33.272 0.400 . 1 . . . . 63 LYS CB . 16208 1 630 . 1 1 63 63 LYS CD C 13 26.709 0.400 . 1 . . . . 63 LYS CD . 16208 1 631 . 1 1 63 63 LYS N N 15 114.387 0.400 . 1 . . . . 63 LYS N . 16208 1 632 . 1 1 64 64 ALA H H 1 8.886 0.020 . 1 . . . . 64 ALA H . 16208 1 633 . 1 1 64 64 ALA HA H 1 5.665 0.020 . 1 . . . . 64 ALA HA . 16208 1 634 . 1 1 64 64 ALA HB1 H 1 1.170 0.020 . 1 . . . . 64 ALA HB1 . 16208 1 635 . 1 1 64 64 ALA HB2 H 1 1.170 0.020 . 1 . . . . 64 ALA HB2 . 16208 1 636 . 1 1 64 64 ALA HB3 H 1 1.170 0.020 . 1 . . . . 64 ALA HB3 . 16208 1 637 . 1 1 64 64 ALA CA C 13 47.336 0.400 . 1 . . . . 64 ALA CA . 16208 1 638 . 1 1 64 64 ALA CB C 13 21.083 0.400 . 1 . . . . 64 ALA CB . 16208 1 639 . 1 1 64 64 ALA N N 15 122.093 0.400 . 1 . . . . 64 ALA N . 16208 1 640 . 1 1 65 65 THR H H 1 8.620 0.020 . 1 . . . . 65 THR H . 16208 1 641 . 1 1 65 65 THR HA H 1 4.457 0.020 . 1 . . . . 65 THR HA . 16208 1 642 . 1 1 65 65 THR HB H 1 3.981 0.020 . 1 . . . . 65 THR HB . 16208 1 643 . 1 1 65 65 THR HG1 H 1 8.044 0.020 . 1 . . . . 65 THR HG1 . 16208 1 644 . 1 1 65 65 THR HG21 H 1 1.101 0.020 . 1 . . . . 65 THR HG21 . 16208 1 645 . 1 1 65 65 THR HG22 H 1 1.101 0.020 . 1 . . . . 65 THR HG22 . 16208 1 646 . 1 1 65 65 THR HG23 H 1 1.101 0.020 . 1 . . . . 65 THR HG23 . 16208 1 647 . 1 1 65 65 THR CA C 13 57.646 0.400 . 1 . . . . 65 THR CA . 16208 1 648 . 1 1 65 65 THR CB C 13 3.980 0.400 . 1 . . . . 65 THR CB . 16208 1 649 . 1 1 65 65 THR CG2 C 13 20.141 0.400 . 1 . . . . 65 THR CG2 . 16208 1 650 . 1 1 65 65 THR N N 15 108.720 0.400 . 1 . . . . 65 THR N . 16208 1 651 . 1 1 66 66 LEU H H 1 8.657 0.020 . 1 . . . . 66 LEU H . 16208 1 652 . 1 1 66 66 LEU HA H 1 4.381 0.020 . 1 . . . . 66 LEU HA . 16208 1 653 . 1 1 66 66 LEU HB2 H 1 1.657 0.020 . 2 . . . . 66 LEU HB2 . 16208 1 654 . 1 1 66 66 LEU HB3 H 1 1.444 0.020 . 2 . . . . 66 LEU HB3 . 16208 1 655 . 1 1 66 66 LEU HD11 H 1 0.762 0.020 . 1 . . . . 66 LEU HD1 . 16208 1 656 . 1 1 66 66 LEU HD12 H 1 0.762 0.020 . 1 . . . . 66 LEU HD1 . 16208 1 657 . 1 1 66 66 LEU HD13 H 1 0.762 0.020 . 1 . . . . 66 LEU HD1 . 16208 1 658 . 1 1 66 66 LEU HD21 H 1 0.762 0.020 . 1 . . . . 66 LEU HD2 . 16208 1 659 . 1 1 66 66 LEU HD22 H 1 0.762 0.020 . 1 . . . . 66 LEU HD2 . 16208 1 660 . 1 1 66 66 LEU HD23 H 1 0.762 0.020 . 1 . . . . 66 LEU HD2 . 16208 1 661 . 1 1 66 66 LEU HG H 1 1.636 0.020 . 1 . . . . 66 LEU HG . 16208 1 662 . 1 1 66 66 LEU CA C 13 53.898 0.400 . 1 . . . . 66 LEU CA . 16208 1 663 . 1 1 66 66 LEU CB C 13 39.834 0.400 . 1 . . . . 66 LEU CB . 16208 1 664 . 1 1 66 66 LEU N N 15 121.645 0.400 . 1 . . . . 66 LEU N . 16208 1 665 . 1 1 67 67 ALA H H 1 8.433 0.020 . 1 . . . . 67 ALA H . 16208 1 666 . 1 1 67 67 ALA HA H 1 4.451 0.020 . 1 . . . . 67 ALA HA . 16208 1 667 . 1 1 67 67 ALA HB1 H 1 1.199 0.020 . 1 . . . . 67 ALA HB1 . 16208 1 668 . 1 1 67 67 ALA HB2 H 1 1.199 0.020 . 1 . . . . 67 ALA HB2 . 16208 1 669 . 1 1 67 67 ALA HB3 H 1 1.199 0.020 . 1 . . . . 67 ALA HB3 . 16208 1 670 . 1 1 67 67 ALA CA C 13 49.208 0.400 . 1 . . . . 67 ALA CA . 16208 1 671 . 1 1 67 67 ALA CB C 13 19.204 0.400 . 1 . . . . 67 ALA CB . 16208 1 672 . 1 1 67 67 ALA N N 15 123.227 0.400 . 1 . . . . 67 ALA N . 16208 1 673 . 1 1 68 68 ASP H H 1 8.233 0.020 . 1 . . . . 68 ASP H . 16208 1 674 . 1 1 68 68 ASP HA H 1 4.531 0.020 . 1 . . . . 68 ASP HA . 16208 1 675 . 1 1 68 68 ASP HB2 H 1 2.614 0.020 . 2 . . . . 68 ASP HB2 . 16208 1 676 . 1 1 68 68 ASP HB3 H 1 2.453 0.020 . 2 . . . . 68 ASP HB3 . 16208 1 677 . 1 1 68 68 ASP CA C 13 52.024 0.400 . 1 . . . . 68 ASP CA . 16208 1 678 . 1 1 68 68 ASP CB C 13 39.833 0.400 . 1 . . . . 68 ASP CB . 16208 1 679 . 1 1 68 68 ASP N N 15 115.525 0.400 . 1 . . . . 68 ASP N . 16208 1 680 . 1 1 69 69 ALA H H 1 7.772 0.020 . 1 . . . . 69 ALA H . 16208 1 681 . 1 1 69 69 ALA HA H 1 3.511 0.020 . 1 . . . . 69 ALA HA . 16208 1 682 . 1 1 69 69 ALA HB1 H 1 1.184 0.020 . 1 . . . . 69 ALA HB1 . 16208 1 683 . 1 1 69 69 ALA HB2 H 1 1.184 0.020 . 1 . . . . 69 ALA HB2 . 16208 1 684 . 1 1 69 69 ALA HB3 H 1 1.184 0.020 . 1 . . . . 69 ALA HB3 . 16208 1 685 . 1 1 69 69 ALA N N 15 124.365 0.400 . 1 . . . . 69 ALA N . 16208 1 stop_ save_