################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52720 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'The methyl assignment of E coli Hsp90 M domain' _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 $chem_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 2 '3D 1H-13C NOESY' . . . 52720 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52720 1 2 $software_2 . . 52720 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ALA HB1 H 1 1.3068 0.0000 . 1 . . . . . 1 ALA HB1 . 52720 1 2 . 1 . 1 1 1 ALA HB2 H 1 1.3068 0.0000 . 1 . . . . . 1 ALA HB1 . 52720 1 3 . 1 . 1 1 1 ALA HB3 H 1 1.3068 0.0000 . 1 . . . . . 1 ALA HB1 . 52720 1 4 . 1 . 1 1 1 ALA CB C 13 18.9077 0.0000 . 1 . . . . . 1 ALA CB . 52720 1 5 . 1 . 1 3 3 ALA HB1 H 1 -0.1555 0.0000 . 1 . . . . . 3 ALA HB1 . 52720 1 6 . 1 . 1 3 3 ALA HB2 H 1 -0.1555 0.0000 . 1 . . . . . 3 ALA HB1 . 52720 1 7 . 1 . 1 3 3 ALA HB3 H 1 -0.1555 0.0000 . 1 . . . . . 3 ALA HB1 . 52720 1 8 . 1 . 1 3 3 ALA CB C 13 16.1976 0.0000 . 1 . . . . . 3 ALA CB . 52720 1 9 . 1 . 1 4 4 LEU HD11 H 1 0.1270 0.0000 . 1 . . . . . 4 LEU HD11 . 52720 1 10 . 1 . 1 4 4 LEU HD12 H 1 0.1270 0.0000 . 1 . . . . . 4 LEU HD11 . 52720 1 11 . 1 . 1 4 4 LEU HD13 H 1 0.1270 0.0000 . 1 . . . . . 4 LEU HD11 . 52720 1 12 . 1 . 1 4 4 LEU HD21 H 1 0.4054 0.0000 . 1 . . . . . 4 LEU HD21 . 52720 1 13 . 1 . 1 4 4 LEU HD22 H 1 0.4054 0.0000 . 1 . . . . . 4 LEU HD21 . 52720 1 14 . 1 . 1 4 4 LEU HD23 H 1 0.4054 0.0000 . 1 . . . . . 4 LEU HD21 . 52720 1 15 . 1 . 1 4 4 LEU CD1 C 13 25.2108 0.0000 . 1 . . . . . 4 LEU CD1 . 52720 1 16 . 1 . 1 4 4 LEU CD2 C 13 26.1984 0.0000 . 1 . . . . . 4 LEU CD2 . 52720 1 17 . 1 . 1 6 6 THR HG21 H 1 0.3930 0.0000 . 1 . . . . . 6 THR HG21 . 52720 1 18 . 1 . 1 6 6 THR HG22 H 1 0.3930 0.0000 . 1 . . . . . 6 THR HG21 . 52720 1 19 . 1 . 1 6 6 THR HG23 H 1 0.3930 0.0000 . 1 . . . . . 6 THR HG21 . 52720 1 20 . 1 . 1 6 6 THR CG2 C 13 21.2230 0.0000 . 1 . . . . . 6 THR CG2 . 52720 1 21 . 1 . 1 12 12 ILE HD11 H 1 0.6781 0.0000 . 1 . . . . . 12 ILE HD11 . 52720 1 22 . 1 . 1 12 12 ILE HD12 H 1 0.6781 0.0000 . 1 . . . . . 12 ILE HD11 . 52720 1 23 . 1 . 1 12 12 ILE HD13 H 1 0.6781 0.0000 . 1 . . . . . 12 ILE HD11 . 52720 1 24 . 1 . 1 12 12 ILE CD1 C 13 14.0913 0.0000 . 1 . . . . . 12 ILE CD1 . 52720 1 25 . 1 . 1 13 13 THR HG21 H 1 1.3689 0.0000 . 1 . . . . . 13 THR HG21 . 52720 1 26 . 1 . 1 13 13 THR HG22 H 1 1.3689 0.0000 . 1 . . . . . 13 THR HG21 . 52720 1 27 . 1 . 1 13 13 THR HG23 H 1 1.3689 0.0000 . 1 . . . . . 13 THR HG21 . 52720 1 28 . 1 . 1 13 13 THR CG2 C 13 22.0193 0.0000 . 1 . . . . . 13 THR CG2 . 52720 1 29 . 1 . 1 24 24 ILE HD11 H 1 0.7411 0.0000 . 1 . . . . . 24 ILE HD11 . 52720 1 30 . 1 . 1 24 24 ILE HD12 H 1 0.7411 0.0000 . 1 . . . . . 24 ILE HD11 . 52720 1 31 . 1 . 1 24 24 ILE HD13 H 1 0.7411 0.0000 . 1 . . . . . 24 ILE HD11 . 52720 1 32 . 1 . 1 24 24 ILE CD1 C 13 14.4254 0.0000 . 1 . . . . . 24 ILE CD1 . 52720 1 33 . 1 . 1 25 25 ALA HB1 H 1 0.6687 0.0000 . 1 . . . . . 25 ALA HB1 . 52720 1 34 . 1 . 1 25 25 ALA HB2 H 1 0.6687 0.0000 . 1 . . . . . 25 ALA HB1 . 52720 1 35 . 1 . 1 25 25 ALA HB3 H 1 0.6687 0.0000 . 1 . . . . . 25 ALA HB1 . 52720 1 36 . 1 . 1 25 25 ALA CB C 13 19.6963 0.0000 . 1 . . . . . 25 ALA CB . 52720 1 37 . 1 . 1 32 32 LEU HD11 H 1 1.0351 0.0000 . 1 . . . . . 32 LEU HD11 . 52720 1 38 . 1 . 1 32 32 LEU HD12 H 1 1.0351 0.0000 . 1 . . . . . 32 LEU HD11 . 52720 1 39 . 1 . 1 32 32 LEU HD13 H 1 1.0351 0.0000 . 1 . . . . . 32 LEU HD11 . 52720 1 40 . 1 . 1 32 32 LEU HD21 H 1 0.9493 0.0000 . 1 . . . . . 32 LEU HD21 . 52720 1 41 . 1 . 1 32 32 LEU HD22 H 1 0.9493 0.0000 . 1 . . . . . 32 LEU HD21 . 52720 1 42 . 1 . 1 32 32 LEU HD23 H 1 0.9493 0.0000 . 1 . . . . . 32 LEU HD21 . 52720 1 43 . 1 . 1 32 32 LEU CD1 C 13 25.2232 0.0000 . 1 . . . . . 32 LEU CD1 . 52720 1 44 . 1 . 1 32 32 LEU CD2 C 13 24.4859 0.0000 . 1 . . . . . 32 LEU CD2 . 52720 1 45 . 1 . 1 33 33 THR HG21 H 1 0.8803 0.0000 . 1 . . . . . 33 THR HG21 . 52720 1 46 . 1 . 1 33 33 THR HG22 H 1 0.8803 0.0000 . 1 . . . . . 33 THR HG21 . 52720 1 47 . 1 . 1 33 33 THR HG23 H 1 0.8803 0.0000 . 1 . . . . . 33 THR HG21 . 52720 1 48 . 1 . 1 33 33 THR CG2 C 13 18.6342 0.0000 . 1 . . . . . 33 THR CG2 . 52720 1 49 . 1 . 1 39 39 VAL HG21 H 1 0.4829 0.0000 . 1 . . . . . 39 VAL HG21 . 52720 1 50 . 1 . 1 39 39 VAL HG22 H 1 0.4829 0.0000 . 1 . . . . . 39 VAL HG21 . 52720 1 51 . 1 . 1 39 39 VAL HG23 H 1 0.4829 0.0000 . 1 . . . . . 39 VAL HG21 . 52720 1 52 . 1 . 1 39 39 VAL CG2 C 13 21.3177 0.0000 . 1 . . . . . 39 VAL CG2 . 52720 1 53 . 1 . 1 46 46 THR HG21 H 1 1.5680 0.0000 . 1 . . . . . 46 THR HG21 . 52720 1 54 . 1 . 1 46 46 THR HG22 H 1 1.5680 0.0000 . 1 . . . . . 46 THR HG21 . 52720 1 55 . 1 . 1 46 46 THR HG23 H 1 1.5680 0.0000 . 1 . . . . . 46 THR HG21 . 52720 1 56 . 1 . 1 46 46 THR CG2 C 13 21.4942 0.0000 . 1 . . . . . 46 THR CG2 . 52720 1 57 . 1 . 1 48 48 LEU HD11 H 1 0.8204 0.0000 . 1 . . . . . 48 LEU HD11 . 52720 1 58 . 1 . 1 48 48 LEU HD12 H 1 0.8204 0.0000 . 1 . . . . . 48 LEU HD11 . 52720 1 59 . 1 . 1 48 48 LEU HD13 H 1 0.8204 0.0000 . 1 . . . . . 48 LEU HD11 . 52720 1 60 . 1 . 1 48 48 LEU CD1 C 13 26.9965 0.0000 . 1 . . . . . 48 LEU CD1 . 52720 1 61 . 1 . 1 49 49 LEU HD21 H 1 1.0548 0.0000 . 1 . . . . . 49 LEU HD21 . 52720 1 62 . 1 . 1 49 49 LEU HD22 H 1 1.0548 0.0000 . 1 . . . . . 49 LEU HD21 . 52720 1 63 . 1 . 1 49 49 LEU HD23 H 1 1.0548 0.0000 . 1 . . . . . 49 LEU HD21 . 52720 1 64 . 1 . 1 49 49 LEU CD2 C 13 24.5301 0.0000 . 1 . . . . . 49 LEU CD2 . 52720 1 65 . 1 . 1 51 51 ILE HD11 H 1 0.8158 0.0000 . 1 . . . . . 51 ILE HD11 . 52720 1 66 . 1 . 1 51 51 ILE HD12 H 1 0.8158 0.0000 . 1 . . . . . 51 ILE HD11 . 52720 1 67 . 1 . 1 51 51 ILE HD13 H 1 0.8158 0.0000 . 1 . . . . . 51 ILE HD11 . 52720 1 68 . 1 . 1 51 51 ILE CD1 C 13 11.0274 0.0000 . 1 . . . . . 51 ILE CD1 . 52720 1 69 . 1 . 1 55 55 ALA HB1 H 1 1.0632 0.0000 . 1 . . . . . 55 ALA HB1 . 52720 1 70 . 1 . 1 55 55 ALA HB2 H 1 1.0632 0.0000 . 1 . . . . . 55 ALA HB1 . 52720 1 71 . 1 . 1 55 55 ALA HB3 H 1 1.0632 0.0000 . 1 . . . . . 55 ALA HB1 . 52720 1 72 . 1 . 1 55 55 ALA CB C 13 17.8704 0.0000 . 1 . . . . . 55 ALA CB . 52720 1 73 . 1 . 1 59 59 MET HE1 H 1 1.6051 0.0000 . 1 . . . . . 59 MET HE1 . 52720 1 74 . 1 . 1 59 59 MET HE2 H 1 1.6051 0.0000 . 1 . . . . . 59 MET HE1 . 52720 1 75 . 1 . 1 59 59 MET HE3 H 1 1.6051 0.0000 . 1 . . . . . 59 MET HE1 . 52720 1 76 . 1 . 1 59 59 MET CE C 13 17.6610 0.0000 . 1 . . . . . 59 MET CE . 52720 1 77 . 1 . 1 70 70 LEU HD11 H 1 0.7544 0.0000 . 1 . . . . . 70 LEU HD11 . 52720 1 78 . 1 . 1 70 70 LEU HD12 H 1 0.7544 0.0000 . 1 . . . . . 70 LEU HD11 . 52720 1 79 . 1 . 1 70 70 LEU HD13 H 1 0.7544 0.0000 . 1 . . . . . 70 LEU HD11 . 52720 1 80 . 1 . 1 70 70 LEU HD21 H 1 0.7410 0.0000 . 1 . . . . . 70 LEU HD21 . 52720 1 81 . 1 . 1 70 70 LEU HD22 H 1 0.7410 0.0000 . 1 . . . . . 70 LEU HD21 . 52720 1 82 . 1 . 1 70 70 LEU HD23 H 1 0.7410 0.0000 . 1 . . . . . 70 LEU HD21 . 52720 1 83 . 1 . 1 70 70 LEU CD1 C 13 26.6018 0.0000 . 1 . . . . . 70 LEU CD1 . 52720 1 84 . 1 . 1 70 70 LEU CD2 C 13 25.8418 0.0000 . 1 . . . . . 70 LEU CD2 . 52720 1 85 . 1 . 1 72 72 VAL HG11 H 1 0.9124 0.0000 . 1 . . . . . 72 VAL HG11 . 52720 1 86 . 1 . 1 72 72 VAL HG12 H 1 0.9124 0.0000 . 1 . . . . . 72 VAL HG11 . 52720 1 87 . 1 . 1 72 72 VAL HG13 H 1 0.9124 0.0000 . 1 . . . . . 72 VAL HG11 . 52720 1 88 . 1 . 1 72 72 VAL HG21 H 1 0.8973 0.0000 . 1 . . . . . 72 VAL HG21 . 52720 1 89 . 1 . 1 72 72 VAL HG22 H 1 0.8973 0.0000 . 1 . . . . . 72 VAL HG21 . 52720 1 90 . 1 . 1 72 72 VAL HG23 H 1 0.8973 0.0000 . 1 . . . . . 72 VAL HG21 . 52720 1 91 . 1 . 1 72 72 VAL CG1 C 13 21.9569 0.0000 . 1 . . . . . 72 VAL CG1 . 52720 1 92 . 1 . 1 72 72 VAL CG2 C 13 22.5762 0.0000 . 1 . . . . . 72 VAL CG2 . 52720 1 93 . 1 . 1 75 75 VAL HG11 H 1 1.0785 0.0000 . 1 . . . . . 75 VAL HG11 . 52720 1 94 . 1 . 1 75 75 VAL HG12 H 1 1.0785 0.0000 . 1 . . . . . 75 VAL HG11 . 52720 1 95 . 1 . 1 75 75 VAL HG13 H 1 1.0785 0.0000 . 1 . . . . . 75 VAL HG11 . 52720 1 96 . 1 . 1 75 75 VAL CG1 C 13 21.9903 0.0000 . 1 . . . . . 75 VAL CG1 . 52720 1 97 . 1 . 1 77 77 ILE HD11 H 1 0.7257 0.0000 . 1 . . . . . 77 ILE HD11 . 52720 1 98 . 1 . 1 77 77 ILE HD12 H 1 0.7257 0.0000 . 1 . . . . . 77 ILE HD11 . 52720 1 99 . 1 . 1 77 77 ILE HD13 H 1 0.7257 0.0000 . 1 . . . . . 77 ILE HD11 . 52720 1 100 . 1 . 1 77 77 ILE CD1 C 13 9.1227 0.0000 . 1 . . . . . 77 ILE CD1 . 52720 1 101 . 1 . 1 78 78 MET HE1 H 1 1.8672 0.0000 . 1 . . . . . 78 MET HE1 . 52720 1 102 . 1 . 1 78 78 MET HE2 H 1 1.8672 0.0000 . 1 . . . . . 78 MET HE1 . 52720 1 103 . 1 . 1 78 78 MET HE3 H 1 1.8672 0.0000 . 1 . . . . . 78 MET HE1 . 52720 1 104 . 1 . 1 78 78 MET CE C 13 17.0077 0.0000 . 1 . . . . . 78 MET CE . 52720 1 105 . 1 . 1 81 81 ALA HB1 H 1 1.3726 0.0000 . 1 . . . . . 81 ALA HB1 . 52720 1 106 . 1 . 1 81 81 ALA HB2 H 1 1.3726 0.0000 . 1 . . . . . 81 ALA HB1 . 52720 1 107 . 1 . 1 81 81 ALA HB3 H 1 1.3726 0.0000 . 1 . . . . . 81 ALA HB1 . 52720 1 108 . 1 . 1 81 81 ALA CB C 13 17.6833 0.0000 . 1 . . . . . 81 ALA CB . 52720 1 109 . 1 . 1 85 85 MET HE1 H 1 1.9398 0.0000 . 1 . . . . . 85 MET HE1 . 52720 1 110 . 1 . 1 85 85 MET HE2 H 1 1.9398 0.0000 . 1 . . . . . 85 MET HE1 . 52720 1 111 . 1 . 1 85 85 MET HE3 H 1 1.9398 0.0000 . 1 . . . . . 85 MET HE1 . 52720 1 112 . 1 . 1 85 85 MET CE C 13 19.3924 0.0000 . 1 . . . . . 85 MET CE . 52720 1 113 . 1 . 1 89 89 LEU HD11 H 1 1.4129 0.0000 . 1 . . . . . 89 LEU HD11 . 52720 1 114 . 1 . 1 89 89 LEU HD12 H 1 1.4129 0.0000 . 1 . . . . . 89 LEU HD11 . 52720 1 115 . 1 . 1 89 89 LEU HD13 H 1 1.4129 0.0000 . 1 . . . . . 89 LEU HD11 . 52720 1 116 . 1 . 1 89 89 LEU HD21 H 1 1.4251 0.0000 . 1 . . . . . 89 LEU HD21 . 52720 1 117 . 1 . 1 89 89 LEU HD22 H 1 1.4251 0.0000 . 1 . . . . . 89 LEU HD21 . 52720 1 118 . 1 . 1 89 89 LEU HD23 H 1 1.4251 0.0000 . 1 . . . . . 89 LEU HD21 . 52720 1 119 . 1 . 1 89 89 LEU CD1 C 13 26.4252 0.0000 . 1 . . . . . 89 LEU CD1 . 52720 1 120 . 1 . 1 89 89 LEU CD2 C 13 25.5188 0.0000 . 1 . . . . . 89 LEU CD2 . 52720 1 121 . 1 . 1 95 95 LEU HD11 H 1 -0.2437 0.0000 . 1 . . . . . 95 LEU HD11 . 52720 1 122 . 1 . 1 95 95 LEU HD12 H 1 -0.2437 0.0000 . 1 . . . . . 95 LEU HD11 . 52720 1 123 . 1 . 1 95 95 LEU HD13 H 1 -0.2437 0.0000 . 1 . . . . . 95 LEU HD11 . 52720 1 124 . 1 . 1 95 95 LEU HD21 H 1 0.1055 0.0000 . 1 . . . . . 95 LEU HD21 . 52720 1 125 . 1 . 1 95 95 LEU HD22 H 1 0.1055 0.0000 . 1 . . . . . 95 LEU HD21 . 52720 1 126 . 1 . 1 95 95 LEU HD23 H 1 0.1055 0.0000 . 1 . . . . . 95 LEU HD21 . 52720 1 127 . 1 . 1 95 95 LEU CD1 C 13 24.9927 0.0000 . 1 . . . . . 95 LEU CD1 . 52720 1 128 . 1 . 1 95 95 LEU CD2 C 13 27.1147 0.0000 . 1 . . . . . 95 LEU CD2 . 52720 1 129 . 1 . 1 96 96 ILE HD11 H 1 0.4286 0.0000 . 1 . . . . . 96 ILE HD11 . 52720 1 130 . 1 . 1 96 96 ILE HD12 H 1 0.4286 0.0000 . 1 . . . . . 96 ILE HD11 . 52720 1 131 . 1 . 1 96 96 ILE HD13 H 1 0.4286 0.0000 . 1 . . . . . 96 ILE HD11 . 52720 1 132 . 1 . 1 96 96 ILE CD1 C 13 14.6146 0.0000 . 1 . . . . . 96 ILE CD1 . 52720 1 133 . 1 . 1 101 101 LEU HD11 H 1 0.9601 0.0000 . 1 . . . . . 101 LEU HD11 . 52720 1 134 . 1 . 1 101 101 LEU HD12 H 1 0.9601 0.0000 . 1 . . . . . 101 LEU HD11 . 52720 1 135 . 1 . 1 101 101 LEU HD13 H 1 0.9601 0.0000 . 1 . . . . . 101 LEU HD11 . 52720 1 136 . 1 . 1 101 101 LEU CD1 C 13 26.1009 0.0000 . 1 . . . . . 101 LEU CD1 . 52720 1 137 . 1 . 1 103 103 LEU HD11 H 1 0.8771 0.0000 . 1 . . . . . 103 LEU HD11 . 52720 1 138 . 1 . 1 103 103 LEU HD12 H 1 0.8771 0.0000 . 1 . . . . . 103 LEU HD11 . 52720 1 139 . 1 . 1 103 103 LEU HD13 H 1 0.8771 0.0000 . 1 . . . . . 103 LEU HD11 . 52720 1 140 . 1 . 1 103 103 LEU HD21 H 1 0.9182 0.0000 . 1 . . . . . 103 LEU HD21 . 52720 1 141 . 1 . 1 103 103 LEU HD22 H 1 0.9182 0.0000 . 1 . . . . . 103 LEU HD21 . 52720 1 142 . 1 . 1 103 103 LEU HD23 H 1 0.9182 0.0000 . 1 . . . . . 103 LEU HD21 . 52720 1 143 . 1 . 1 103 103 LEU CD1 C 13 24.1202 0.0000 . 1 . . . . . 103 LEU CD1 . 52720 1 144 . 1 . 1 103 103 LEU CD2 C 13 25.0297 0.0000 . 1 . . . . . 103 LEU CD2 . 52720 1 145 . 1 . 1 105 105 VAL HG21 H 1 0.9273 0.0000 . 1 . . . . . 105 VAL HG21 . 52720 1 146 . 1 . 1 105 105 VAL HG22 H 1 0.9273 0.0000 . 1 . . . . . 105 VAL HG21 . 52720 1 147 . 1 . 1 105 105 VAL HG23 H 1 0.9273 0.0000 . 1 . . . . . 105 VAL HG21 . 52720 1 148 . 1 . 1 105 105 VAL CG2 C 13 20.6647 0.0000 . 1 . . . . . 105 VAL CG2 . 52720 1 149 . 1 . 1 109 109 ILE HD11 H 1 0.8922 0.0000 . 1 . . . . . 109 ILE HD11 . 52720 1 150 . 1 . 1 109 109 ILE HD12 H 1 0.8922 0.0000 . 1 . . . . . 109 ILE HD11 . 52720 1 151 . 1 . 1 109 109 ILE HD13 H 1 0.8922 0.0000 . 1 . . . . . 109 ILE HD11 . 52720 1 152 . 1 . 1 109 109 ILE CD1 C 13 12.7801 0.0000 . 1 . . . . . 109 ILE CD1 . 52720 1 153 . 1 . 1 110 110 LEU HD11 H 1 0.7689 0.0000 . 1 . . . . . 110 LEU HD11 . 52720 1 154 . 1 . 1 110 110 LEU HD12 H 1 0.7689 0.0000 . 1 . . . . . 110 LEU HD11 . 52720 1 155 . 1 . 1 110 110 LEU HD13 H 1 0.7689 0.0000 . 1 . . . . . 110 LEU HD11 . 52720 1 156 . 1 . 1 110 110 LEU HD21 H 1 0.7264 0.0000 . 1 . . . . . 110 LEU HD21 . 52720 1 157 . 1 . 1 110 110 LEU HD22 H 1 0.7264 0.0000 . 1 . . . . . 110 LEU HD21 . 52720 1 158 . 1 . 1 110 110 LEU HD23 H 1 0.7264 0.0000 . 1 . . . . . 110 LEU HD21 . 52720 1 159 . 1 . 1 110 110 LEU CD1 C 13 24.3737 0.0000 . 1 . . . . . 110 LEU CD1 . 52720 1 160 . 1 . 1 110 110 LEU CD2 C 13 22.6223 0.0000 . 1 . . . . . 110 LEU CD2 . 52720 1 161 . 1 . 1 114 114 THR HG21 H 1 1.3246 0.0000 . 1 . . . . . 114 THR HG21 . 52720 1 162 . 1 . 1 114 114 THR HG22 H 1 1.3246 0.0000 . 1 . . . . . 114 THR HG21 . 52720 1 163 . 1 . 1 114 114 THR HG23 H 1 1.3246 0.0000 . 1 . . . . . 114 THR HG21 . 52720 1 164 . 1 . 1 114 114 THR CG2 C 13 22.1482 0.0000 . 1 . . . . . 114 THR CG2 . 52720 1 165 . 1 . 1 115 115 VAL HG21 H 1 1.0479 0.0000 . 1 . . . . . 115 VAL HG21 . 52720 1 166 . 1 . 1 115 115 VAL HG22 H 1 1.0479 0.0000 . 1 . . . . . 115 VAL HG21 . 52720 1 167 . 1 . 1 115 115 VAL HG23 H 1 1.0479 0.0000 . 1 . . . . . 115 VAL HG21 . 52720 1 168 . 1 . 1 115 115 VAL CG2 C 13 22.2969 0.0000 . 1 . . . . . 115 VAL CG2 . 52720 1 169 . 1 . 1 119 119 LEU HD11 H 1 0.2196 0.0000 . 1 . . . . . 119 LEU HD11 . 52720 1 170 . 1 . 1 119 119 LEU HD12 H 1 0.2196 0.0000 . 1 . . . . . 119 LEU HD11 . 52720 1 171 . 1 . 1 119 119 LEU HD13 H 1 0.2196 0.0000 . 1 . . . . . 119 LEU HD11 . 52720 1 172 . 1 . 1 119 119 LEU HD21 H 1 0.6109 0.0000 . 1 . . . . . 119 LEU HD21 . 52720 1 173 . 1 . 1 119 119 LEU HD22 H 1 0.6109 0.0000 . 1 . . . . . 119 LEU HD21 . 52720 1 174 . 1 . 1 119 119 LEU HD23 H 1 0.6109 0.0000 . 1 . . . . . 119 LEU HD21 . 52720 1 175 . 1 . 1 119 119 LEU CD1 C 13 23.0594 0.0000 . 1 . . . . . 119 LEU CD1 . 52720 1 176 . 1 . 1 119 119 LEU CD2 C 13 24.9340 0.0000 . 1 . . . . . 119 LEU CD2 . 52720 1 177 . 1 . 1 122 122 ALA HB1 H 1 1.6002 0.0000 . 1 . . . . . 122 ALA HB1 . 52720 1 178 . 1 . 1 122 122 ALA HB2 H 1 1.6002 0.0000 . 1 . . . . . 122 ALA HB1 . 52720 1 179 . 1 . 1 122 122 ALA HB3 H 1 1.6002 0.0000 . 1 . . . . . 122 ALA HB1 . 52720 1 180 . 1 . 1 122 122 ALA CB C 13 18.7870 0.0000 . 1 . . . . . 122 ALA CB . 52720 1 181 . 1 . 1 123 123 LEU HD11 H 1 0.5676 0.0000 . 1 . . . . . 123 LEU HD11 . 52720 1 182 . 1 . 1 123 123 LEU HD12 H 1 0.5676 0.0000 . 1 . . . . . 123 LEU HD11 . 52720 1 183 . 1 . 1 123 123 LEU HD13 H 1 0.5676 0.0000 . 1 . . . . . 123 LEU HD11 . 52720 1 184 . 1 . 1 123 123 LEU HD21 H 1 0.7322 0.0000 . 1 . . . . . 123 LEU HD21 . 52720 1 185 . 1 . 1 123 123 LEU HD22 H 1 0.7322 0.0000 . 1 . . . . . 123 LEU HD21 . 52720 1 186 . 1 . 1 123 123 LEU HD23 H 1 0.7322 0.0000 . 1 . . . . . 123 LEU HD21 . 52720 1 187 . 1 . 1 123 123 LEU CD1 C 13 26.1959 0.0000 . 1 . . . . . 123 LEU CD1 . 52720 1 188 . 1 . 1 123 123 LEU CD2 C 13 26.3598 0.0000 . 1 . . . . . 123 LEU CD2 . 52720 1 189 . 1 . 1 124 124 THR HG21 H 1 1.1971 0.0000 . 1 . . . . . 124 THR HG21 . 52720 1 190 . 1 . 1 124 124 THR HG22 H 1 1.1971 0.0000 . 1 . . . . . 124 THR HG21 . 52720 1 191 . 1 . 1 124 124 THR HG23 H 1 1.1971 0.0000 . 1 . . . . . 124 THR HG21 . 52720 1 192 . 1 . 1 124 124 THR CG2 C 13 21.0569 0.0000 . 1 . . . . . 124 THR CG2 . 52720 1 193 . 1 . 1 127 127 VAL HG11 H 1 0.0275 0.0000 . 1 . . . . . 127 VAL HG11 . 52720 1 194 . 1 . 1 127 127 VAL HG12 H 1 0.0275 0.0000 . 1 . . . . . 127 VAL HG11 . 52720 1 195 . 1 . 1 127 127 VAL HG13 H 1 0.0275 0.0000 . 1 . . . . . 127 VAL HG11 . 52720 1 196 . 1 . 1 127 127 VAL CG1 C 13 21.0790 0.0000 . 1 . . . . . 127 VAL CG1 . 52720 1 197 . 1 . 1 128 128 LEU HD11 H 1 0.9789 0.0000 . 1 . . . . . 128 LEU HD11 . 52720 1 198 . 1 . 1 128 128 LEU HD12 H 1 0.9789 0.0000 . 1 . . . . . 128 LEU HD11 . 52720 1 199 . 1 . 1 128 128 LEU HD13 H 1 0.9789 0.0000 . 1 . . . . . 128 LEU HD11 . 52720 1 200 . 1 . 1 128 128 LEU CD1 C 13 21.9398 0.0000 . 1 . . . . . 128 LEU CD1 . 52720 1 201 . 1 . 1 130 130 MET HE1 H 1 1.8047 0.0000 . 1 . . . . . 130 MET HE1 . 52720 1 202 . 1 . 1 130 130 MET HE2 H 1 1.8047 0.0000 . 1 . . . . . 130 MET HE1 . 52720 1 203 . 1 . 1 130 130 MET HE3 H 1 1.8047 0.0000 . 1 . . . . . 130 MET HE1 . 52720 1 204 . 1 . 1 130 130 MET CE C 13 16.2265 0.0000 . 1 . . . . . 130 MET CE . 52720 1 205 . 1 . 1 131 131 LEU HD11 H 1 0.5867 0.0000 . 1 . . . . . 131 LEU HD11 . 52720 1 206 . 1 . 1 131 131 LEU HD12 H 1 0.5867 0.0000 . 1 . . . . . 131 LEU HD11 . 52720 1 207 . 1 . 1 131 131 LEU HD13 H 1 0.5867 0.0000 . 1 . . . . . 131 LEU HD11 . 52720 1 208 . 1 . 1 131 131 LEU CD1 C 13 26.3571 0.0000 . 1 . . . . . 131 LEU CD1 . 52720 1 209 . 1 . 1 134 134 LEU HD11 H 1 0.9672 0.0000 . 1 . . . . . 134 LEU HD11 . 52720 1 210 . 1 . 1 134 134 LEU HD12 H 1 0.9672 0.0000 . 1 . . . . . 134 LEU HD11 . 52720 1 211 . 1 . 1 134 134 LEU HD13 H 1 0.9672 0.0000 . 1 . . . . . 134 LEU HD11 . 52720 1 212 . 1 . 1 134 134 LEU HD21 H 1 0.7467 0.0000 . 1 . . . . . 134 LEU HD21 . 52720 1 213 . 1 . 1 134 134 LEU HD22 H 1 0.7467 0.0000 . 1 . . . . . 134 LEU HD21 . 52720 1 214 . 1 . 1 134 134 LEU HD23 H 1 0.7467 0.0000 . 1 . . . . . 134 LEU HD21 . 52720 1 215 . 1 . 1 134 134 LEU CD1 C 13 23.9933 0.0000 . 1 . . . . . 134 LEU CD1 . 52720 1 216 . 1 . 1 134 134 LEU CD2 C 13 25.6114 0.0000 . 1 . . . . . 134 LEU CD2 . 52720 1 217 . 1 . 1 135 135 ALA HB1 H 1 0.5461 0.0000 . 1 . . . . . 135 ALA HB1 . 52720 1 218 . 1 . 1 135 135 ALA HB2 H 1 0.5461 0.0000 . 1 . . . . . 135 ALA HB1 . 52720 1 219 . 1 . 1 135 135 ALA HB3 H 1 0.5461 0.0000 . 1 . . . . . 135 ALA HB1 . 52720 1 220 . 1 . 1 135 135 ALA CB C 13 17.1345 0.0000 . 1 . . . . . 135 ALA CB . 52720 1 221 . 1 . 1 144 144 THR HG21 H 1 1.2927 0.0000 . 1 . . . . . 144 THR HG21 . 52720 1 222 . 1 . 1 144 144 THR HG22 H 1 1.2927 0.0000 . 1 . . . . . 144 THR HG21 . 52720 1 223 . 1 . 1 144 144 THR HG23 H 1 1.2927 0.0000 . 1 . . . . . 144 THR HG21 . 52720 1 224 . 1 . 1 144 144 THR CG2 C 13 22.6534 0.0000 . 1 . . . . . 144 THR CG2 . 52720 1 225 . 1 . 1 151 151 LEU HD21 H 1 0.8104 0.0000 . 1 . . . . . 151 LEU HD21 . 52720 1 226 . 1 . 1 151 151 LEU HD22 H 1 0.8104 0.0000 . 1 . . . . . 151 LEU HD21 . 52720 1 227 . 1 . 1 151 151 LEU HD23 H 1 0.8104 0.0000 . 1 . . . . . 151 LEU HD21 . 52720 1 228 . 1 . 1 151 151 LEU CD2 C 13 25.1565 0.0000 . 1 . . . . . 151 LEU CD2 . 52720 1 229 . 1 . 1 152 152 VAL HG11 H 1 0.8820 0.0000 . 1 . . . . . 152 VAL HG11 . 52720 1 230 . 1 . 1 152 152 VAL HG12 H 1 0.8820 0.0000 . 1 . . . . . 152 VAL HG11 . 52720 1 231 . 1 . 1 152 152 VAL HG13 H 1 0.8820 0.0000 . 1 . . . . . 152 VAL HG11 . 52720 1 232 . 1 . 1 152 152 VAL CG1 C 13 22.7589 0.0000 . 1 . . . . . 152 VAL CG1 . 52720 1 233 . 1 . 1 153 153 LEU HD11 H 1 0.6727 0.0000 . 1 . . . . . 153 LEU HD11 . 52720 1 234 . 1 . 1 153 153 LEU HD12 H 1 0.6727 0.0000 . 1 . . . . . 153 LEU HD11 . 52720 1 235 . 1 . 1 153 153 LEU HD13 H 1 0.6727 0.0000 . 1 . . . . . 153 LEU HD11 . 52720 1 236 . 1 . 1 153 153 LEU CD1 C 13 23.8510 0.0000 . 1 . . . . . 153 LEU CD1 . 52720 1 237 . 1 . 1 158 158 ALA HB1 H 1 0.4995 0.0000 . 1 . . . . . 158 ALA HB1 . 52720 1 238 . 1 . 1 158 158 ALA HB2 H 1 0.4995 0.0000 . 1 . . . . . 158 ALA HB1 . 52720 1 239 . 1 . 1 158 158 ALA HB3 H 1 0.4995 0.0000 . 1 . . . . . 158 ALA HB1 . 52720 1 240 . 1 . 1 158 158 ALA CB C 13 19.9441 0.0000 . 1 . . . . . 158 ALA CB . 52720 1 241 . 1 . 1 166 166 ALA HB1 H 1 1.5127 0.0000 . 1 . . . . . 166 ALA HB1 . 52720 1 242 . 1 . 1 166 166 ALA HB2 H 1 1.5127 0.0000 . 1 . . . . . 166 ALA HB1 . 52720 1 243 . 1 . 1 166 166 ALA HB3 H 1 1.5127 0.0000 . 1 . . . . . 166 ALA HB1 . 52720 1 244 . 1 . 1 166 166 ALA CB C 13 19.0826 0.0000 . 1 . . . . . 166 ALA CB . 52720 1 245 . 1 . 1 167 167 ILE HD11 H 1 0.4871 0.0000 . 1 . . . . . 167 ILE HD11 . 52720 1 246 . 1 . 1 167 167 ILE HD12 H 1 0.4871 0.0000 . 1 . . . . . 167 ILE HD11 . 52720 1 247 . 1 . 1 167 167 ILE HD13 H 1 0.4871 0.0000 . 1 . . . . . 167 ILE HD11 . 52720 1 248 . 1 . 1 167 167 ILE CD1 C 13 13.8196 0.0000 . 1 . . . . . 167 ILE CD1 . 52720 1 249 . 1 . 1 168 168 ALA HB1 H 1 1.7173 0.0000 . 1 . . . . . 168 ALA HB1 . 52720 1 250 . 1 . 1 168 168 ALA HB2 H 1 1.7173 0.0000 . 1 . . . . . 168 ALA HB1 . 52720 1 251 . 1 . 1 168 168 ALA HB3 H 1 1.7173 0.0000 . 1 . . . . . 168 ALA HB1 . 52720 1 252 . 1 . 1 168 168 ALA CB C 13 18.3322 0.0000 . 1 . . . . . 168 ALA CB . 52720 1 253 . 1 . 1 170 170 LEU HD11 H 1 1.0928 0.0000 . 1 . . . . . 170 LEU HD11 . 52720 1 254 . 1 . 1 170 170 LEU HD12 H 1 1.0928 0.0000 . 1 . . . . . 170 LEU HD11 . 52720 1 255 . 1 . 1 170 170 LEU HD13 H 1 1.0928 0.0000 . 1 . . . . . 170 LEU HD11 . 52720 1 256 . 1 . 1 170 170 LEU HD21 H 1 0.7134 0.0000 . 1 . . . . . 170 LEU HD21 . 52720 1 257 . 1 . 1 170 170 LEU HD22 H 1 0.7134 0.0000 . 1 . . . . . 170 LEU HD21 . 52720 1 258 . 1 . 1 170 170 LEU HD23 H 1 0.7134 0.0000 . 1 . . . . . 170 LEU HD21 . 52720 1 259 . 1 . 1 170 170 LEU CD1 C 13 27.7264 0.0000 . 1 . . . . . 170 LEU CD1 . 52720 1 260 . 1 . 1 170 170 LEU CD2 C 13 20.8562 0.0000 . 1 . . . . . 170 LEU CD2 . 52720 1 261 . 1 . 1 171 171 LEU HD11 H 1 1.0016 0.0000 . 1 . . . . . 171 LEU HD11 . 52720 1 262 . 1 . 1 171 171 LEU HD12 H 1 1.0016 0.0000 . 1 . . . . . 171 LEU HD11 . 52720 1 263 . 1 . 1 171 171 LEU HD13 H 1 1.0016 0.0000 . 1 . . . . . 171 LEU HD11 . 52720 1 264 . 1 . 1 171 171 LEU HD21 H 1 0.9459 0.0000 . 1 . . . . . 171 LEU HD21 . 52720 1 265 . 1 . 1 171 171 LEU HD22 H 1 0.9459 0.0000 . 1 . . . . . 171 LEU HD21 . 52720 1 266 . 1 . 1 171 171 LEU HD23 H 1 0.9459 0.0000 . 1 . . . . . 171 LEU HD21 . 52720 1 267 . 1 . 1 171 171 LEU CD1 C 13 27.0198 0.0000 . 1 . . . . . 171 LEU CD1 . 52720 1 268 . 1 . 1 171 171 LEU CD2 C 13 22.4144 0.0000 . 1 . . . . . 171 LEU CD2 . 52720 1 269 . 1 . 1 174 174 ALA HB1 H 1 1.7266 0.0000 . 1 . . . . . 174 ALA HB1 . 52720 1 270 . 1 . 1 174 174 ALA HB2 H 1 1.7266 0.0000 . 1 . . . . . 174 ALA HB1 . 52720 1 271 . 1 . 1 174 174 ALA HB3 H 1 1.7266 0.0000 . 1 . . . . . 174 ALA HB1 . 52720 1 272 . 1 . 1 174 174 ALA CB C 13 19.5376 0.0000 . 1 . . . . . 174 ALA CB . 52720 1 273 . 1 . 1 176 176 THR HG21 H 1 1.5253 0.0000 . 1 . . . . . 176 THR HG21 . 52720 1 274 . 1 . 1 176 176 THR HG22 H 1 1.5253 0.0000 . 1 . . . . . 176 THR HG21 . 52720 1 275 . 1 . 1 176 176 THR HG23 H 1 1.5253 0.0000 . 1 . . . . . 176 THR HG21 . 52720 1 276 . 1 . 1 176 176 THR CG2 C 13 23.6052 0.0000 . 1 . . . . . 176 THR CG2 . 52720 1 277 . 1 . 1 182 182 ALA HB1 H 1 1.2732 0.0000 . 1 . . . . . 182 ALA HB1 . 52720 1 278 . 1 . 1 182 182 ALA HB2 H 1 1.2732 0.0000 . 1 . . . . . 182 ALA HB1 . 52720 1 279 . 1 . 1 182 182 ALA HB3 H 1 1.2732 0.0000 . 1 . . . . . 182 ALA HB1 . 52720 1 280 . 1 . 1 182 182 ALA CB C 13 18.7066 0.0000 . 1 . . . . . 182 ALA CB . 52720 1 281 . 1 . 1 185 185 VAL HG11 H 1 1.2063 0.0000 . 1 . . . . . 185 VAL HG11 . 52720 1 282 . 1 . 1 185 185 VAL HG12 H 1 1.2063 0.0000 . 1 . . . . . 185 VAL HG11 . 52720 1 283 . 1 . 1 185 185 VAL HG13 H 1 1.2063 0.0000 . 1 . . . . . 185 VAL HG11 . 52720 1 284 . 1 . 1 185 185 VAL CG1 C 13 21.6368 0.0000 . 1 . . . . . 185 VAL CG1 . 52720 1 285 . 1 . 1 187 187 LEU HD11 H 1 0.5986 0.0000 . 1 . . . . . 187 LEU HD11 . 52720 1 286 . 1 . 1 187 187 LEU HD12 H 1 0.5986 0.0000 . 1 . . . . . 187 LEU HD11 . 52720 1 287 . 1 . 1 187 187 LEU HD13 H 1 0.5986 0.0000 . 1 . . . . . 187 LEU HD11 . 52720 1 288 . 1 . 1 187 187 LEU HD21 H 1 -0.1589 0.0000 . 1 . . . . . 187 LEU HD21 . 52720 1 289 . 1 . 1 187 187 LEU HD22 H 1 -0.1589 0.0000 . 1 . . . . . 187 LEU HD21 . 52720 1 290 . 1 . 1 187 187 LEU HD23 H 1 -0.1589 0.0000 . 1 . . . . . 187 LEU HD21 . 52720 1 291 . 1 . 1 187 187 LEU CD1 C 13 25.9702 0.0000 . 1 . . . . . 187 LEU CD1 . 52720 1 292 . 1 . 1 187 187 LEU CD2 C 13 24.9631 0.0000 . 1 . . . . . 187 LEU CD2 . 52720 1 293 . 1 . 1 191 191 VAL HG11 H 1 1.3262 0.0000 . 1 . . . . . 191 VAL HG11 . 52720 1 294 . 1 . 1 191 191 VAL HG12 H 1 1.3262 0.0000 . 1 . . . . . 191 VAL HG11 . 52720 1 295 . 1 . 1 191 191 VAL HG13 H 1 1.3262 0.0000 . 1 . . . . . 191 VAL HG11 . 52720 1 296 . 1 . 1 191 191 VAL HG21 H 1 1.0842 0.0000 . 1 . . . . . 191 VAL HG21 . 52720 1 297 . 1 . 1 191 191 VAL HG22 H 1 1.0842 0.0000 . 1 . . . . . 191 VAL HG21 . 52720 1 298 . 1 . 1 191 191 VAL HG23 H 1 1.0842 0.0000 . 1 . . . . . 191 VAL HG21 . 52720 1 299 . 1 . 1 191 191 VAL CG1 C 13 23.1155 0.0000 . 1 . . . . . 191 VAL CG1 . 52720 1 300 . 1 . 1 191 191 VAL CG2 C 13 21.5904 0.0000 . 1 . . . . . 191 VAL CG2 . 52720 1 301 . 1 . 1 194 194 MET HE1 H 1 1.8718 0.0000 . 1 . . . . . 194 MET HE1 . 52720 1 302 . 1 . 1 194 194 MET HE2 H 1 1.8718 0.0000 . 1 . . . . . 194 MET HE1 . 52720 1 303 . 1 . 1 194 194 MET HE3 H 1 1.8718 0.0000 . 1 . . . . . 194 MET HE1 . 52720 1 304 . 1 . 1 194 194 MET CE C 13 16.3768 0.0000 . 1 . . . . . 194 MET CE . 52720 1 305 . 1 . 1 201 201 ILE HD11 H 1 0.1751 0.0000 . 1 . . . . . 201 ILE HD11 . 52720 1 306 . 1 . 1 201 201 ILE HD12 H 1 0.1751 0.0000 . 1 . . . . . 201 ILE HD11 . 52720 1 307 . 1 . 1 201 201 ILE HD13 H 1 0.1751 0.0000 . 1 . . . . . 201 ILE HD11 . 52720 1 308 . 1 . 1 201 201 ILE CD1 C 13 13.9561 0.0000 . 1 . . . . . 201 ILE CD1 . 52720 1 309 . 1 . 1 204 204 ILE HD11 H 1 1.0087 0.0000 . 1 . . . . . 204 ILE HD11 . 52720 1 310 . 1 . 1 204 204 ILE HD12 H 1 1.0087 0.0000 . 1 . . . . . 204 ILE HD11 . 52720 1 311 . 1 . 1 204 204 ILE HD13 H 1 1.0087 0.0000 . 1 . . . . . 204 ILE HD11 . 52720 1 312 . 1 . 1 204 204 ILE CD1 C 13 14.6502 0.0000 . 1 . . . . . 204 ILE CD1 . 52720 1 313 . 1 . 1 205 205 THR HG21 H 1 1.3791 0.0000 . 1 . . . . . 205 THR HG21 . 52720 1 314 . 1 . 1 205 205 THR HG22 H 1 1.3791 0.0000 . 1 . . . . . 205 THR HG21 . 52720 1 315 . 1 . 1 205 205 THR HG23 H 1 1.3791 0.0000 . 1 . . . . . 205 THR HG21 . 52720 1 316 . 1 . 1 205 205 THR CG2 C 13 22.7765 0.0000 . 1 . . . . . 205 THR CG2 . 52720 1 317 . 1 . 1 206 206 ALA HB1 H 1 1.4469 0.0000 . 1 . . . . . 206 ALA HB1 . 52720 1 318 . 1 . 1 206 206 ALA HB2 H 1 1.4469 0.0000 . 1 . . . . . 206 ALA HB1 . 52720 1 319 . 1 . 1 206 206 ALA HB3 H 1 1.4469 0.0000 . 1 . . . . . 206 ALA HB1 . 52720 1 320 . 1 . 1 206 206 ALA CB C 13 18.7997 0.0000 . 1 . . . . . 206 ALA CB . 52720 1 321 . 1 . 1 210 210 ALA HB1 H 1 1.4237 0.0000 . 1 . . . . . 210 ALA HB1 . 52720 1 322 . 1 . 1 210 210 ALA HB2 H 1 1.4237 0.0000 . 1 . . . . . 210 ALA HB1 . 52720 1 323 . 1 . 1 210 210 ALA HB3 H 1 1.4237 0.0000 . 1 . . . . . 210 ALA HB1 . 52720 1 324 . 1 . 1 210 210 ALA CB C 13 18.2960 0.0000 . 1 . . . . . 210 ALA CB . 52720 1 325 . 1 . 1 212 212 ALA HB1 H 1 1.3066 0.0000 . 1 . . . . . 212 ALA HB1 . 52720 1 326 . 1 . 1 212 212 ALA HB2 H 1 1.3066 0.0000 . 1 . . . . . 212 ALA HB1 . 52720 1 327 . 1 . 1 212 212 ALA HB3 H 1 1.3066 0.0000 . 1 . . . . . 212 ALA HB1 . 52720 1 328 . 1 . 1 212 212 ALA CB C 13 18.1464 0.0000 . 1 . . . . . 212 ALA CB . 52720 1 329 . 1 . 1 218 218 LEU HD21 H 1 0.9706 0.0000 . 1 . . . . . 218 LEU HD21 . 52720 1 330 . 1 . 1 218 218 LEU HD22 H 1 0.9706 0.0000 . 1 . . . . . 218 LEU HD21 . 52720 1 331 . 1 . 1 218 218 LEU HD23 H 1 0.9706 0.0000 . 1 . . . . . 218 LEU HD21 . 52720 1 332 . 1 . 1 218 218 LEU CD2 C 13 25.8430 0.0000 . 1 . . . . . 218 LEU CD2 . 52720 1 333 . 1 . 1 220 220 LEU HD11 H 1 0.8293 0.0000 . 1 . . . . . 220 LEU HD11 . 52720 1 334 . 1 . 1 220 220 LEU HD12 H 1 0.8293 0.0000 . 1 . . . . . 220 LEU HD11 . 52720 1 335 . 1 . 1 220 220 LEU HD13 H 1 0.8293 0.0000 . 1 . . . . . 220 LEU HD11 . 52720 1 336 . 1 . 1 220 220 LEU HD21 H 1 0.9046 0.0000 . 1 . . . . . 220 LEU HD21 . 52720 1 337 . 1 . 1 220 220 LEU HD22 H 1 0.9046 0.0000 . 1 . . . . . 220 LEU HD21 . 52720 1 338 . 1 . 1 220 220 LEU HD23 H 1 0.9046 0.0000 . 1 . . . . . 220 LEU HD21 . 52720 1 339 . 1 . 1 220 220 LEU CD1 C 13 24.4817 0.0000 . 1 . . . . . 220 LEU CD1 . 52720 1 340 . 1 . 1 220 220 LEU CD2 C 13 24.2589 0.0000 . 1 . . . . . 220 LEU CD2 . 52720 1 341 . 1 . 1 221 221 LEU HD11 H 1 0.4764 0.0000 . 1 . . . . . 221 LEU HD11 . 52720 1 342 . 1 . 1 221 221 LEU HD12 H 1 0.4764 0.0000 . 1 . . . . . 221 LEU HD11 . 52720 1 343 . 1 . 1 221 221 LEU HD13 H 1 0.4764 0.0000 . 1 . . . . . 221 LEU HD11 . 52720 1 344 . 1 . 1 221 221 LEU CD1 C 13 25.0146 0.0000 . 1 . . . . . 221 LEU CD1 . 52720 1 345 . 1 . 1 226 226 ILE HD11 H 1 0.7211 0.0000 . 1 . . . . . 226 ILE HD11 . 52720 1 346 . 1 . 1 226 226 ILE HD12 H 1 0.7211 0.0000 . 1 . . . . . 226 ILE HD11 . 52720 1 347 . 1 . 1 226 226 ILE HD13 H 1 0.7211 0.0000 . 1 . . . . . 226 ILE HD11 . 52720 1 348 . 1 . 1 226 226 ILE CD1 C 13 12.3571 0.0000 . 1 . . . . . 226 ILE CD1 . 52720 1 349 . 1 . 1 228 228 VAL HG21 H 1 0.8573 0.0000 . 1 . . . . . 228 VAL HG21 . 52720 1 350 . 1 . 1 228 228 VAL HG22 H 1 0.8573 0.0000 . 1 . . . . . 228 VAL HG21 . 52720 1 351 . 1 . 1 228 228 VAL HG23 H 1 0.8573 0.0000 . 1 . . . . . 228 VAL HG21 . 52720 1 352 . 1 . 1 228 228 VAL CG2 C 13 21.9454 0.0000 . 1 . . . . . 228 VAL CG2 . 52720 1 353 . 1 . 1 229 229 LEU HD11 H 1 0.3450 0.0000 . 1 . . . . . 229 LEU HD11 . 52720 1 354 . 1 . 1 229 229 LEU HD12 H 1 0.3450 0.0000 . 1 . . . . . 229 LEU HD11 . 52720 1 355 . 1 . 1 229 229 LEU HD13 H 1 0.3450 0.0000 . 1 . . . . . 229 LEU HD11 . 52720 1 356 . 1 . 1 229 229 LEU CD1 C 13 23.1166 0.0000 . 1 . . . . . 229 LEU CD1 . 52720 1 357 . 1 . 1 230 230 LEU HD11 H 1 0.8206 0.0000 . 1 . . . . . 230 LEU HD11 . 52720 1 358 . 1 . 1 230 230 LEU HD12 H 1 0.8206 0.0000 . 1 . . . . . 230 LEU HD11 . 52720 1 359 . 1 . 1 230 230 LEU HD13 H 1 0.8206 0.0000 . 1 . . . . . 230 LEU HD11 . 52720 1 360 . 1 . 1 230 230 LEU HD21 H 1 0.6991 0.0000 . 1 . . . . . 230 LEU HD21 . 52720 1 361 . 1 . 1 230 230 LEU HD22 H 1 0.6991 0.0000 . 1 . . . . . 230 LEU HD21 . 52720 1 362 . 1 . 1 230 230 LEU HD23 H 1 0.6991 0.0000 . 1 . . . . . 230 LEU HD21 . 52720 1 363 . 1 . 1 230 230 LEU CD1 C 13 27.4649 0.0000 . 1 . . . . . 230 LEU CD1 . 52720 1 364 . 1 . 1 230 230 LEU CD2 C 13 23.3611 0.0000 . 1 . . . . . 230 LEU CD2 . 52720 1 365 . 1 . 1 231 231 LEU HD11 H 1 0.6822 0.0000 . 1 . . . . . 231 LEU HD11 . 52720 1 366 . 1 . 1 231 231 LEU HD12 H 1 0.6822 0.0000 . 1 . . . . . 231 LEU HD11 . 52720 1 367 . 1 . 1 231 231 LEU HD13 H 1 0.6822 0.0000 . 1 . . . . . 231 LEU HD11 . 52720 1 368 . 1 . 1 231 231 LEU CD1 C 13 26.9706 0.0000 . 1 . . . . . 231 LEU CD1 . 52720 1 369 . 1 . 1 235 235 ILE HD11 H 1 1.0259 0.0000 . 1 . . . . . 235 ILE HD11 . 52720 1 370 . 1 . 1 235 235 ILE HD12 H 1 1.0259 0.0000 . 1 . . . . . 235 ILE HD11 . 52720 1 371 . 1 . 1 235 235 ILE HD13 H 1 1.0259 0.0000 . 1 . . . . . 235 ILE HD11 . 52720 1 372 . 1 . 1 235 235 ILE CD1 C 13 15.4017 0.0000 . 1 . . . . . 235 ILE CD1 . 52720 1 373 . 1 . 1 239 239 MET HE1 H 1 0.3432 0.0000 . 1 . . . . . 239 MET HE1 . 52720 1 374 . 1 . 1 239 239 MET HE2 H 1 0.3432 0.0000 . 1 . . . . . 239 MET HE1 . 52720 1 375 . 1 . 1 239 239 MET HE3 H 1 0.3432 0.0000 . 1 . . . . . 239 MET HE1 . 52720 1 376 . 1 . 1 239 239 MET CE C 13 14.5051 0.0000 . 1 . . . . . 239 MET CE . 52720 1 377 . 1 . 1 240 240 MET HE1 H 1 2.1207 0.0000 . 1 . . . . . 240 MET HE1 . 52720 1 378 . 1 . 1 240 240 MET HE2 H 1 2.1207 0.0000 . 1 . . . . . 240 MET HE1 . 52720 1 379 . 1 . 1 240 240 MET HE3 H 1 2.1207 0.0000 . 1 . . . . . 240 MET HE1 . 52720 1 380 . 1 . 1 240 240 MET CE C 13 16.6643 0.0000 . 1 . . . . . 240 MET CE . 52720 1 381 . 1 . 1 243 243 LEU HD11 H 1 0.8034 0.0000 . 1 . . . . . 243 LEU HD11 . 52720 1 382 . 1 . 1 243 243 LEU HD12 H 1 0.8034 0.0000 . 1 . . . . . 243 LEU HD11 . 52720 1 383 . 1 . 1 243 243 LEU HD13 H 1 0.8034 0.0000 . 1 . . . . . 243 LEU HD11 . 52720 1 384 . 1 . 1 243 243 LEU CD1 C 13 24.0735 0.0000 . 1 . . . . . 243 LEU CD1 . 52720 1 385 . 1 . 1 254 254 VAL HG11 H 1 0.8755 0.0000 . 1 . . . . . 254 VAL HG11 . 52720 1 386 . 1 . 1 254 254 VAL HG12 H 1 0.8755 0.0000 . 1 . . . . . 254 VAL HG11 . 52720 1 387 . 1 . 1 254 254 VAL HG13 H 1 0.8755 0.0000 . 1 . . . . . 254 VAL HG11 . 52720 1 388 . 1 . 1 254 254 VAL HG21 H 1 1.0041 0.0000 . 1 . . . . . 254 VAL HG21 . 52720 1 389 . 1 . 1 254 254 VAL HG22 H 1 1.0041 0.0000 . 1 . . . . . 254 VAL HG21 . 52720 1 390 . 1 . 1 254 254 VAL HG23 H 1 1.0041 0.0000 . 1 . . . . . 254 VAL HG21 . 52720 1 391 . 1 . 1 254 254 VAL CG1 C 13 20.8986 0.0000 . 1 . . . . . 254 VAL CG1 . 52720 1 392 . 1 . 1 254 254 VAL CG2 C 13 23.5946 0.0000 . 1 . . . . . 254 VAL CG2 . 52720 1 393 . 1 . 1 257 257 VAL HG11 H 1 0.9357 0.0000 . 1 . . . . . 257 VAL HG11 . 52720 1 394 . 1 . 1 257 257 VAL HG12 H 1 0.9357 0.0000 . 1 . . . . . 257 VAL HG11 . 52720 1 395 . 1 . 1 257 257 VAL HG13 H 1 0.9357 0.0000 . 1 . . . . . 257 VAL HG11 . 52720 1 396 . 1 . 1 257 257 VAL CG1 C 13 21.3401 0.0000 . 1 . . . . . 257 VAL CG1 . 52720 1 397 . 1 . 1 261 261 LEU HD11 H 1 0.7556 0.0000 . 1 . . . . . 261 LEU HD11 . 52720 1 398 . 1 . 1 261 261 LEU HD12 H 1 0.7556 0.0000 . 1 . . . . . 261 LEU HD11 . 52720 1 399 . 1 . 1 261 261 LEU HD13 H 1 0.7556 0.0000 . 1 . . . . . 261 LEU HD11 . 52720 1 400 . 1 . 1 261 261 LEU HD21 H 1 0.8478 0.0000 . 1 . . . . . 261 LEU HD21 . 52720 1 401 . 1 . 1 261 261 LEU HD22 H 1 0.8478 0.0000 . 1 . . . . . 261 LEU HD21 . 52720 1 402 . 1 . 1 261 261 LEU HD23 H 1 0.8478 0.0000 . 1 . . . . . 261 LEU HD21 . 52720 1 403 . 1 . 1 261 261 LEU CD1 C 13 23.8223 0.0000 . 1 . . . . . 261 LEU CD1 . 52720 1 404 . 1 . 1 261 261 LEU CD2 C 13 25.3052 0.0000 . 1 . . . . . 261 LEU CD2 . 52720 1 405 . 1 . 1 265 265 ALA HB1 H 1 1.3884 0.0000 . 1 . . . . . 265 ALA HB1 . 52720 1 406 . 1 . 1 265 265 ALA HB2 H 1 1.3884 0.0000 . 1 . . . . . 265 ALA HB1 . 52720 1 407 . 1 . 1 265 265 ALA HB3 H 1 1.3884 0.0000 . 1 . . . . . 265 ALA HB1 . 52720 1 408 . 1 . 1 265 265 ALA CB C 13 19.3987 0.0000 . 1 . . . . . 265 ALA CB . 52720 1 stop_ save_ ################################### # 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52720 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'The methyl assignment of E coli Hsp90 M domain' _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 $chem_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-13C HMQC' . . . 52720 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52720 2 2 $software_2 . . 52720 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ALA H H 1 8.2044 0.0000 . 1 . . . . . 1 ALA H . 52720 2 2 . 1 . 1 1 1 ALA CA C 13 52.023 0.0000 . 1 . . . . . 1 ALA CA . 52720 2 3 . 1 . 1 1 1 ALA CB C 13 18.1246 0.0000 . 1 . . . . . 1 ALA CB . 52720 2 4 . 1 . 1 1 1 ALA N N 15 126.1779 0.0000 . 1 . . . . . 1 ALA N . 52720 2 5 . 1 . 1 2 2 GLN H H 1 8.0045 0.0000 . 1 . . . . . 2 GLN H . 52720 2 6 . 1 . 1 2 2 GLN CA C 13 54.5628 0.0000 . 1 . . . . . 2 GLN CA . 52720 2 7 . 1 . 1 2 2 GLN CB C 13 28.5681 0.0000 . 1 . . . . . 2 GLN CB . 52720 2 8 . 1 . 1 2 2 GLN N N 15 120.0202 0.0000 . 1 . . . . . 2 GLN N . 52720 2 9 . 1 . 1 3 3 ALA H H 1 7.9427 0.0000 . 1 . . . . . 3 ALA H . 52720 2 10 . 1 . 1 3 3 ALA CA C 13 51.0529 0.0000 . 1 . . . . . 3 ALA CA . 52720 2 11 . 1 . 1 3 3 ALA CB C 13 15.8374 0.0000 . 1 . . . . . 3 ALA CB . 52720 2 12 . 1 . 1 3 3 ALA N N 15 126.6993 0.0000 . 1 . . . . . 3 ALA N . 52720 2 13 . 1 . 1 4 4 LEU H H 1 8.1125 0.0000 . 1 . . . . . 4 LEU H . 52720 2 14 . 1 . 1 4 4 LEU CA C 13 58.7896 0.0000 . 1 . . . . . 4 LEU CA . 52720 2 15 . 1 . 1 4 4 LEU CB C 13 40.0337 0.0000 . 1 . . . . . 4 LEU CB . 52720 2 16 . 1 . 1 4 4 LEU N N 15 126.6566 0.0000 . 1 . . . . . 4 LEU N . 52720 2 17 . 1 . 1 5 5 TRP H H 1 8.2274 0.0000 . 1 . . . . . 5 TRP H . 52720 2 18 . 1 . 1 5 5 TRP CA C 13 58.8894 0.0000 . 1 . . . . . 5 TRP CA . 52720 2 19 . 1 . 1 5 5 TRP CB C 13 27.4248 0.0000 . 1 . . . . . 5 TRP CB . 52720 2 20 . 1 . 1 5 5 TRP N N 15 119.4581 0.0000 . 1 . . . . . 5 TRP N . 52720 2 21 . 1 . 1 6 6 THR H H 1 6.9626 0.0000 . 1 . . . . . 6 THR H . 52720 2 22 . 1 . 1 6 6 THR CA C 13 61.2203 0.0000 . 1 . . . . . 6 THR CA . 52720 2 23 . 1 . 1 6 6 THR CB C 13 69.0882 0.0000 . 1 . . . . . 6 THR CB . 52720 2 24 . 1 . 1 6 6 THR N N 15 112.1187 0.0000 . 1 . . . . . 6 THR N . 52720 2 25 . 1 . 1 7 7 ARG H H 1 7.032 0.0000 . 1 . . . . . 7 ARG H . 52720 2 26 . 1 . 1 7 7 ARG CA C 13 55.4163 0.0000 . 1 . . . . . 7 ARG CA . 52720 2 27 . 1 . 1 7 7 ARG CB C 13 30.0694 0.0000 . 1 . . . . . 7 ARG CB . 52720 2 28 . 1 . 1 7 7 ARG N N 15 123.4192 0.0000 . 1 . . . . . 7 ARG N . 52720 2 29 . 1 . 1 8 8 ASN H H 1 8.423 0.0000 . 1 . . . . . 8 ASN H . 52720 2 30 . 1 . 1 8 8 ASN CA C 13 53.3237 0.0000 . 1 . . . . . 8 ASN CA . 52720 2 31 . 1 . 1 8 8 ASN CB C 13 38.3578 0.0000 . 1 . . . . . 8 ASN CB . 52720 2 32 . 1 . 1 8 8 ASN N N 15 119.9363 0.0000 . 1 . . . . . 8 ASN N . 52720 2 33 . 1 . 1 9 9 LYS H H 1 8.329 0.0000 . 1 . . . . . 9 LYS H . 52720 2 34 . 1 . 1 9 9 LYS CA C 13 58.8406 0.0000 . 1 . . . . . 9 LYS CA . 52720 2 35 . 1 . 1 9 9 LYS CB C 13 31.1961 0.0000 . 1 . . . . . 9 LYS CB . 52720 2 36 . 1 . 1 9 9 LYS N N 15 125.5829 0.0000 . 1 . . . . . 9 LYS N . 52720 2 37 . 1 . 1 10 10 SER H H 1 8.0879 0.0000 . 1 . . . . . 10 SER H . 52720 2 38 . 1 . 1 10 10 SER CA C 13 59.8431 0.0000 . 1 . . . . . 10 SER CA . 52720 2 39 . 1 . 1 10 10 SER CB C 13 62.6801 0.0000 . 1 . . . . . 10 SER CB . 52720 2 40 . 1 . 1 10 10 SER N N 15 113.5947 0.0000 . 1 . . . . . 10 SER N . 52720 2 41 . 1 . 1 11 11 GLU H H 1 7.9372 0.0000 . 1 . . . . . 11 GLU H . 52720 2 42 . 1 . 1 11 11 GLU CA C 13 56.1786 0.0000 . 1 . . . . . 11 GLU CA . 52720 2 43 . 1 . 1 11 11 GLU CB C 13 29.6529 0.0000 . 1 . . . . . 11 GLU CB . 52720 2 44 . 1 . 1 11 11 GLU N N 15 119.9413 0.0000 . 1 . . . . . 11 GLU N . 52720 2 45 . 1 . 1 12 12 ILE H H 1 7.043 0.0000 . 1 . . . . . 12 ILE H . 52720 2 46 . 1 . 1 12 12 ILE CA C 13 61.1181 0.0000 . 1 . . . . . 12 ILE CA . 52720 2 47 . 1 . 1 12 12 ILE CB C 13 38.3772 0.0000 . 1 . . . . . 12 ILE CB . 52720 2 48 . 1 . 1 12 12 ILE N N 15 123.0108 0.0000 . 1 . . . . . 12 ILE N . 52720 2 49 . 1 . 1 13 13 THR H H 1 8.6033 0.0000 . 1 . . . . . 13 THR H . 52720 2 50 . 1 . 1 13 13 THR CA C 13 61.0461 0.0000 . 1 . . . . . 13 THR CA . 52720 2 51 . 1 . 1 13 13 THR CB C 13 71.0952 0.0000 . 1 . . . . . 13 THR CB . 52720 2 52 . 1 . 1 13 13 THR N N 15 119.7496 0.0000 . 1 . . . . . 13 THR N . 52720 2 53 . 1 . 1 14 14 ASP H H 1 9.1582 0.0000 . 1 . . . . . 14 ASP H . 52720 2 54 . 1 . 1 14 14 ASP CA C 13 57.8161 0.0000 . 1 . . . . . 14 ASP CA . 52720 2 55 . 1 . 1 14 14 ASP CB C 13 39.5147 0.0000 . 1 . . . . . 14 ASP CB . 52720 2 56 . 1 . 1 14 14 ASP N N 15 122.5801 0.0000 . 1 . . . . . 14 ASP N . 52720 2 57 . 1 . 1 15 15 GLU H H 1 8.5258 0.0000 . 1 . . . . . 15 GLU H . 52720 2 58 . 1 . 1 15 15 GLU CA C 13 59.8617 0.0000 . 1 . . . . . 15 GLU CA . 52720 2 59 . 1 . 1 15 15 GLU CB C 13 28.3054 0.0000 . 1 . . . . . 15 GLU CB . 52720 2 60 . 1 . 1 15 15 GLU N N 15 118.2976 0.0000 . 1 . . . . . 15 GLU N . 52720 2 61 . 1 . 1 16 16 GLU H H 1 8.0715 0.0000 . 1 . . . . . 16 GLU H . 52720 2 62 . 1 . 1 16 16 GLU CA C 13 59.487 0.0000 . 1 . . . . . 16 GLU CA . 52720 2 63 . 1 . 1 16 16 GLU CB C 13 28.7674 0.0000 . 1 . . . . . 16 GLU CB . 52720 2 64 . 1 . 1 16 16 GLU N N 15 119.1742 0.0000 . 1 . . . . . 16 GLU N . 52720 2 65 . 1 . 1 17 17 TYR H H 1 7.6237 0.0000 . 1 . . . . . 17 TYR H . 52720 2 66 . 1 . 1 17 17 TYR CA C 13 62.8551 0.0000 . 1 . . . . . 17 TYR CA . 52720 2 67 . 1 . 1 17 17 TYR CB C 13 36.8487 0.0000 . 1 . . . . . 17 TYR CB . 52720 2 68 . 1 . 1 17 17 TYR N N 15 119.3781 0.0000 . 1 . . . . . 17 TYR N . 52720 2 69 . 1 . 1 18 18 LYS H H 1 7.9587 0.0000 . 1 . . . . . 18 LYS H . 52720 2 70 . 1 . 1 18 18 LYS CA C 13 60.2184 0.0000 . 1 . . . . . 18 LYS CA . 52720 2 71 . 1 . 1 18 18 LYS CB C 13 33.4216 0.0000 . 1 . . . . . 18 LYS CB . 52720 2 72 . 1 . 1 18 18 LYS N N 15 121.1043 0.0000 . 1 . . . . . 18 LYS N . 52720 2 73 . 1 . 1 19 19 GLU H H 1 8.3759 0.0000 . 1 . . . . . 19 GLU H . 52720 2 74 . 1 . 1 19 19 GLU CA C 13 58.736 0.0000 . 1 . . . . . 19 GLU CA . 52720 2 75 . 1 . 1 19 19 GLU CB C 13 28.601 0.0000 . 1 . . . . . 19 GLU CB . 52720 2 76 . 1 . 1 19 19 GLU N N 15 119.1678 0.0000 . 1 . . . . . 19 GLU N . 52720 2 77 . 1 . 1 20 20 PHE H H 1 8.0376 0.0000 . 1 . . . . . 20 PHE H . 52720 2 78 . 1 . 1 20 20 PHE CA C 13 61.387 0.0000 . 1 . . . . . 20 PHE CA . 52720 2 79 . 1 . 1 20 20 PHE CB C 13 38.466 0.0000 . 1 . . . . . 20 PHE CB . 52720 2 80 . 1 . 1 20 20 PHE N N 15 120.8069 0.0000 . 1 . . . . . 20 PHE N . 52720 2 81 . 1 . 1 21 21 TYR CA C 13 60.91 0.0000 . 1 . . . . . 21 TYR CA . 52720 2 82 . 1 . 1 21 21 TYR CB C 13 36.157 0.0000 . 1 . . . . . 21 TYR CB . 52720 2 83 . 1 . 1 22 22 LYS CA C 13 59.7893 0.0000 . 1 . . . . . 22 LYS CA . 52720 2 84 . 1 . 1 22 22 LYS CB C 13 31.4131 0.0000 . 1 . . . . . 22 LYS CB . 52720 2 85 . 1 . 1 23 23 HIS H H 1 7.3011 0.0000 . 1 . . . . . 23 HIS H . 52720 2 86 . 1 . 1 23 23 HIS CA C 13 58.2644 0.0000 . 1 . . . . . 23 HIS CA . 52720 2 87 . 1 . 1 23 23 HIS CB C 13 29.2581 0.0000 . 1 . . . . . 23 HIS CB . 52720 2 88 . 1 . 1 23 23 HIS N N 15 116.4661 0.0000 . 1 . . . . . 23 HIS N . 52720 2 89 . 1 . 1 24 24 ILE H H 1 7.734 0.0000 . 1 . . . . . 24 ILE H . 52720 2 90 . 1 . 1 24 24 ILE CA C 13 62.7588 0.0000 . 1 . . . . . 24 ILE CA . 52720 2 91 . 1 . 1 24 24 ILE CB C 13 37.4494 0.0000 . 1 . . . . . 24 ILE CB . 52720 2 92 . 1 . 1 24 24 ILE N N 15 114.0409 0.0000 . 1 . . . . . 24 ILE N . 52720 2 93 . 1 . 1 25 25 ALA H H 1 8.0405 0.0000 . 1 . . . . . 25 ALA H . 52720 2 94 . 1 . 1 25 25 ALA CA C 13 50.4575 0.0000 . 1 . . . . . 25 ALA CA . 52720 2 95 . 1 . 1 25 25 ALA CB C 13 18.5427 0.0000 . 1 . . . . . 25 ALA CB . 52720 2 96 . 1 . 1 25 25 ALA N N 15 122.0654 0.0000 . 1 . . . . . 25 ALA N . 52720 2 97 . 1 . 1 26 26 HIS H H 1 7.0392 0.0000 . 1 . . . . . 26 HIS H . 52720 2 98 . 1 . 1 26 26 HIS CA C 13 55.6229 0.0000 . 1 . . . . . 26 HIS CA . 52720 2 99 . 1 . 1 26 26 HIS CB C 13 25.6569 0.0000 . 1 . . . . . 26 HIS CB . 52720 2 100 . 1 . 1 26 26 HIS N N 15 116.5751 0.0000 . 1 . . . . . 26 HIS N . 52720 2 101 . 1 . 1 27 27 ASP H H 1 6.9661 0.0000 . 1 . . . . . 27 ASP H . 52720 2 102 . 1 . 1 27 27 ASP CA C 13 51.4471 0.0000 . 1 . . . . . 27 ASP CA . 52720 2 103 . 1 . 1 27 27 ASP CB C 13 43.7295 0.0000 . 1 . . . . . 27 ASP CB . 52720 2 104 . 1 . 1 27 27 ASP N N 15 118.6591 0.0000 . 1 . . . . . 27 ASP N . 52720 2 105 . 1 . 1 28 28 PHE H H 1 8.23 0.0000 . 1 . . . . . 28 PHE H . 52720 2 106 . 1 . 1 28 28 PHE CA C 13 57.2107 0.0000 . 1 . . . . . 28 PHE CA . 52720 2 107 . 1 . 1 28 28 PHE CB C 13 38.7288 0.0000 . 1 . . . . . 28 PHE CB . 52720 2 108 . 1 . 1 28 28 PHE N N 15 122.2825 0.0000 . 1 . . . . . 28 PHE N . 52720 2 109 . 1 . 1 29 29 ASN H H 1 8.1898 0.0000 . 1 . . . . . 29 ASN H . 52720 2 110 . 1 . 1 29 29 ASN CA C 13 52.1805 0.0000 . 1 . . . . . 29 ASN CA . 52720 2 111 . 1 . 1 29 29 ASN CB C 13 39.3725 0.0000 . 1 . . . . . 29 ASN CB . 52720 2 112 . 1 . 1 29 29 ASN N N 15 120.0931 0.0000 . 1 . . . . . 29 ASN N . 52720 2 113 . 1 . 1 30 30 ASP H H 1 8.4838 0.0000 . 1 . . . . . 30 ASP H . 52720 2 114 . 1 . 1 30 30 ASP CA C 13 53.201 0.0000 . 1 . . . . . 30 ASP CA . 52720 2 115 . 1 . 1 30 30 ASP CB C 13 39.1591 0.0000 . 1 . . . . . 30 ASP CB . 52720 2 116 . 1 . 1 30 30 ASP N N 15 120.6804 0.0000 . 1 . . . . . 30 ASP N . 52720 2 117 . 1 . 1 32 32 LEU CA C 13 56.445 0.0000 . 1 . . . . . 32 LEU CA . 52720 2 118 . 1 . 1 32 32 LEU CB C 13 43.922 0.0000 . 1 . . . . . 32 LEU CB . 52720 2 119 . 1 . 1 33 33 THR H H 1 8.7216 0.0000 . 1 . . . . . 33 THR H . 52720 2 120 . 1 . 1 33 33 THR CA C 13 58.3588 0.0000 . 1 . . . . . 33 THR CA . 52720 2 121 . 1 . 1 33 33 THR CB C 13 66.273 0.0000 . 1 . . . . . 33 THR CB . 52720 2 122 . 1 . 1 33 33 THR N N 15 118.4397 0.0000 . 1 . . . . . 33 THR N . 52720 2 123 . 1 . 1 34 34 TRP H H 1 7.3363 0.0000 . 1 . . . . . 34 TRP H . 52720 2 124 . 1 . 1 34 34 TRP CA C 13 56.8029 0.0000 . 1 . . . . . 34 TRP CA . 52720 2 125 . 1 . 1 34 34 TRP CB C 13 31.4932 0.0000 . 1 . . . . . 34 TRP CB . 52720 2 126 . 1 . 1 34 34 TRP N N 15 120.7369 0.0000 . 1 . . . . . 34 TRP N . 52720 2 127 . 1 . 1 35 35 SER H H 1 8.5287 0.0000 . 1 . . . . . 35 SER H . 52720 2 128 . 1 . 1 35 35 SER CA C 13 57.5516 0.0000 . 1 . . . . . 35 SER CA . 52720 2 129 . 1 . 1 35 35 SER CB C 13 64.8063 0.0000 . 1 . . . . . 35 SER CB . 52720 2 130 . 1 . 1 35 35 SER N N 15 111.99 0.0000 . 1 . . . . . 35 SER N . 52720 2 131 . 1 . 1 36 36 HIS CA C 13 51.9154 0.0000 . 1 . . . . . 36 HIS CA . 52720 2 132 . 1 . 1 36 36 HIS CB C 13 33.9682 0.0000 . 1 . . . . . 36 HIS CB . 52720 2 133 . 1 . 1 37 37 ASN H H 1 9.2731 0.0000 . 1 . . . . . 37 ASN H . 52720 2 134 . 1 . 1 37 37 ASN CA C 13 53.3085 0.0000 . 1 . . . . . 37 ASN CA . 52720 2 135 . 1 . 1 37 37 ASN CB C 13 41.9774 0.0000 . 1 . . . . . 37 ASN CB . 52720 2 136 . 1 . 1 37 37 ASN N N 15 124.4239 0.0000 . 1 . . . . . 37 ASN N . 52720 2 137 . 1 . 1 38 38 ARG CA C 13 55.3628 0.0000 . 1 . . . . . 38 ARG CA . 52720 2 138 . 1 . 1 38 38 ARG CB C 13 30.6896 0.0000 . 1 . . . . . 38 ARG CB . 52720 2 139 . 1 . 1 39 39 VAL H H 1 8.8352 0.0000 . 1 . . . . . 39 VAL H . 52720 2 140 . 1 . 1 39 39 VAL CA C 13 61.6694 0.0000 . 1 . . . . . 39 VAL CA . 52720 2 141 . 1 . 1 39 39 VAL CB C 13 32.4598 0.0000 . 1 . . . . . 39 VAL CB . 52720 2 142 . 1 . 1 39 39 VAL N N 15 130.2638 0.0000 . 1 . . . . . 39 VAL N . 52720 2 143 . 1 . 1 40 40 GLU H H 1 8.2212 0.0000 . 1 . . . . . 40 GLU H . 52720 2 144 . 1 . 1 40 40 GLU CA C 13 54.3611 0.0000 . 1 . . . . . 40 GLU CA . 52720 2 145 . 1 . 1 40 40 GLU CB C 13 31.9585 0.0000 . 1 . . . . . 40 GLU CB . 52720 2 146 . 1 . 1 40 40 GLU N N 15 125.7984 0.0000 . 1 . . . . . 40 GLU N . 52720 2 147 . 1 . 1 41 41 GLY H H 1 8.3876 0.0000 . 1 . . . . . 41 GLY H . 52720 2 148 . 1 . 1 41 41 GLY CA C 13 44.5221 0.0000 . 1 . . . . . 41 GLY CA . 52720 2 149 . 1 . 1 41 41 GLY N N 15 110.5793 0.0000 . 1 . . . . . 41 GLY N . 52720 2 150 . 1 . 1 42 42 LYS H H 1 8.1023 0.0000 . 1 . . . . . 42 LYS H . 52720 2 151 . 1 . 1 42 42 LYS CA C 13 58.3941 0.0000 . 1 . . . . . 42 LYS CA . 52720 2 152 . 1 . 1 42 42 LYS CB C 13 31.5864 0.0000 . 1 . . . . . 42 LYS CB . 52720 2 153 . 1 . 1 42 42 LYS N N 15 122.7639 0.0000 . 1 . . . . . 42 LYS N . 52720 2 154 . 1 . 1 43 43 GLN H H 1 7.5458 0.0000 . 1 . . . . . 43 GLN H . 52720 2 155 . 1 . 1 43 43 GLN CA C 13 54.3959 0.0000 . 1 . . . . . 43 GLN CA . 52720 2 156 . 1 . 1 43 43 GLN CB C 13 30.6243 0.0000 . 1 . . . . . 43 GLN CB . 52720 2 157 . 1 . 1 43 43 GLN N N 15 115.5169 0.0000 . 1 . . . . . 43 GLN N . 52720 2 158 . 1 . 1 44 44 GLU H H 1 9.0346 0.0000 . 1 . . . . . 44 GLU H . 52720 2 159 . 1 . 1 44 44 GLU CA C 13 54.5166 0.0000 . 1 . . . . . 44 GLU CA . 52720 2 160 . 1 . 1 44 44 GLU CB C 13 30.4691 0.0000 . 1 . . . . . 44 GLU CB . 52720 2 161 . 1 . 1 44 44 GLU N N 15 123.3184 0.0000 . 1 . . . . . 44 GLU N . 52720 2 162 . 1 . 1 45 45 TYR H H 1 8.2255 0.0000 . 1 . . . . . 45 TYR H . 52720 2 163 . 1 . 1 45 45 TYR CA C 13 56.7379 0.0000 . 1 . . . . . 45 TYR CA . 52720 2 164 . 1 . 1 45 45 TYR CB C 13 38.8207 0.0000 . 1 . . . . . 45 TYR CB . 52720 2 165 . 1 . 1 45 45 TYR N N 15 122.2777 0.0000 . 1 . . . . . 45 TYR N . 52720 2 166 . 1 . 1 46 46 THR H H 1 8.8338 0.0000 . 1 . . . . . 46 THR H . 52720 2 167 . 1 . 1 46 46 THR CA C 13 61.3288 0.0000 . 1 . . . . . 46 THR CA . 52720 2 168 . 1 . 1 46 46 THR CB C 13 71.194 0.0000 . 1 . . . . . 46 THR CB . 52720 2 169 . 1 . 1 46 46 THR N N 15 116.1898 0.0000 . 1 . . . . . 46 THR N . 52720 2 170 . 1 . 1 47 47 SER H H 1 9.6791 0.0000 . 1 . . . . . 47 SER H . 52720 2 171 . 1 . 1 47 47 SER CA C 13 55.8907 0.0000 . 1 . . . . . 47 SER CA . 52720 2 172 . 1 . 1 47 47 SER CB C 13 67.1957 0.0000 . 1 . . . . . 47 SER CB . 52720 2 173 . 1 . 1 47 47 SER N N 15 120.6044 0.0000 . 1 . . . . . 47 SER N . 52720 2 174 . 1 . 1 48 48 LEU H H 1 8.5733 0.0000 . 1 . . . . . 48 LEU H . 52720 2 175 . 1 . 1 48 48 LEU CA C 13 54.347 0.0000 . 1 . . . . . 48 LEU CA . 52720 2 176 . 1 . 1 48 48 LEU CB C 13 42.844 0.0000 . 1 . . . . . 48 LEU CB . 52720 2 177 . 1 . 1 48 48 LEU N N 15 126.4978 0.0000 . 1 . . . . . 48 LEU N . 52720 2 178 . 1 . 1 49 49 LEU H H 1 8.2719 0.0000 . 1 . . . . . 49 LEU H . 52720 2 179 . 1 . 1 49 49 LEU CA C 13 53.309 0.0000 . 1 . . . . . 49 LEU CA . 52720 2 180 . 1 . 1 49 49 LEU CB C 13 44.621 0.0000 . 1 . . . . . 49 LEU CB . 52720 2 181 . 1 . 1 49 49 LEU N N 15 125.1154 0.0000 . 1 . . . . . 49 LEU N . 52720 2 182 . 1 . 1 50 50 TYR H H 1 9.6299 0.0000 . 1 . . . . . 50 TYR H . 52720 2 183 . 1 . 1 50 50 TYR CA C 13 57.069 0.0000 . 1 . . . . . 50 TYR CA . 52720 2 184 . 1 . 1 50 50 TYR CB C 13 43.913 0.0000 . 1 . . . . . 50 TYR CB . 52720 2 185 . 1 . 1 50 50 TYR N N 15 117.5936 0.0000 . 1 . . . . . 50 TYR N . 52720 2 186 . 1 . 1 52 52 PRO CA C 13 62.7291 0.0000 . 1 . . . . . 52 PRO CA . 52720 2 187 . 1 . 1 52 52 PRO CB C 13 32.8533 0.0000 . 1 . . . . . 52 PRO CB . 52720 2 188 . 1 . 1 53 53 SER H H 1 8.9509 0.0000 . 1 . . . . . 53 SER H . 52720 2 189 . 1 . 1 53 53 SER CA C 13 59.3229 0.0000 . 1 . . . . . 53 SER CA . 52720 2 190 . 1 . 1 53 53 SER CB C 13 64.5421 0.0000 . 1 . . . . . 53 SER CB . 52720 2 191 . 1 . 1 53 53 SER N N 15 111.6085 0.0000 . 1 . . . . . 53 SER N . 52720 2 192 . 1 . 1 54 54 GLN H H 1 7.1026 0.0000 . 1 . . . . . 54 GLN H . 52720 2 193 . 1 . 1 54 54 GLN CA C 13 53.4701 0.0000 . 1 . . . . . 54 GLN CA . 52720 2 194 . 1 . 1 54 54 GLN CB C 13 31.2892 0.0000 . 1 . . . . . 54 GLN CB . 52720 2 195 . 1 . 1 54 54 GLN N N 15 117.7889 0.0000 . 1 . . . . . 54 GLN N . 52720 2 196 . 1 . 1 55 55 ALA H H 1 8.4985 0.0000 . 1 . . . . . 55 ALA H . 52720 2 197 . 1 . 1 55 55 ALA CA C 13 50.0924 0.0000 . 1 . . . . . 55 ALA CA . 52720 2 198 . 1 . 1 55 55 ALA CB C 13 16.9066 0.0000 . 1 . . . . . 55 ALA CB . 52720 2 199 . 1 . 1 55 55 ALA N N 15 128.3826 0.0000 . 1 . . . . . 55 ALA N . 52720 2 200 . 1 . 1 57 57 TRP CA C 13 57.5534 0.0000 . 1 . . . . . 57 TRP CA . 52720 2 201 . 1 . 1 57 57 TRP CB C 13 27.6428 0.0000 . 1 . . . . . 57 TRP CB . 52720 2 202 . 1 . 1 58 58 ASP H H 1 7.9168 0.0000 . 1 . . . . . 58 ASP H . 52720 2 203 . 1 . 1 58 58 ASP CA C 13 53.031 0.0000 . 1 . . . . . 58 ASP CA . 52720 2 204 . 1 . 1 58 58 ASP CB C 13 38.655 0.0000 . 1 . . . . . 58 ASP CB . 52720 2 205 . 1 . 1 58 58 ASP N N 15 117.8356 0.0000 . 1 . . . . . 58 ASP N . 52720 2 206 . 1 . 1 60 60 TRP H H 1 10.0482 0.0000 . 1 . . . . . 60 TRP H . 52720 2 207 . 1 . 1 60 60 TRP CA C 13 57.601 0.0000 . 1 . . . . . 60 TRP CA . 52720 2 208 . 1 . 1 60 60 TRP CB C 13 27.691 0.0000 . 1 . . . . . 60 TRP CB . 52720 2 209 . 1 . 1 60 60 TRP N N 15 129.5009 0.0000 . 1 . . . . . 60 TRP N . 52720 2 210 . 1 . 1 61 61 ASN CA C 13 52.1 0.0000 . 1 . . . . . 61 ASN CA . 52720 2 211 . 1 . 1 61 61 ASN CB C 13 37.668 0.0000 . 1 . . . . . 61 ASN CB . 52720 2 212 . 1 . 1 62 62 ARG CA C 13 57.3929 0.0000 . 1 . . . . . 62 ARG CA . 52720 2 213 . 1 . 1 62 62 ARG CB C 13 28.7584 0.0000 . 1 . . . . . 62 ARG CB . 52720 2 214 . 1 . 1 63 63 ASP H H 1 8.1542 0.0000 . 1 . . . . . 63 ASP H . 52720 2 215 . 1 . 1 63 63 ASP CA C 13 53.9328 0.0000 . 1 . . . . . 63 ASP CA . 52720 2 216 . 1 . 1 63 63 ASP CB C 13 40.0179 0.0000 . 1 . . . . . 63 ASP CB . 52720 2 217 . 1 . 1 63 63 ASP N N 15 117.6805 0.0000 . 1 . . . . . 63 ASP N . 52720 2 218 . 1 . 1 64 64 HIS H H 1 7.3173 0.0000 . 1 . . . . . 64 HIS H . 52720 2 219 . 1 . 1 64 64 HIS CA C 13 55.6545 0.0000 . 1 . . . . . 64 HIS CA . 52720 2 220 . 1 . 1 64 64 HIS CB C 13 28.9994 0.0000 . 1 . . . . . 64 HIS CB . 52720 2 221 . 1 . 1 64 64 HIS N N 15 120.046 0.0000 . 1 . . . . . 64 HIS N . 52720 2 222 . 1 . 1 65 65 LYS H H 1 8.2122 0.0000 . 1 . . . . . 65 LYS H . 52720 2 223 . 1 . 1 65 65 LYS CA C 13 55.4545 0.0000 . 1 . . . . . 65 LYS CA . 52720 2 224 . 1 . 1 65 65 LYS CB C 13 31.6924 0.0000 . 1 . . . . . 65 LYS CB . 52720 2 225 . 1 . 1 65 65 LYS N N 15 127.4479 0.0000 . 1 . . . . . 65 LYS N . 52720 2 226 . 1 . 1 66 66 HIS H H 1 8.025 0.0000 . 1 . . . . . 66 HIS H . 52720 2 227 . 1 . 1 66 66 HIS CA C 13 54.529 0.0000 . 1 . . . . . 66 HIS CA . 52720 2 228 . 1 . 1 66 66 HIS CB C 13 30.6481 0.0000 . 1 . . . . . 66 HIS CB . 52720 2 229 . 1 . 1 66 66 HIS N N 15 119.7334 0.0000 . 1 . . . . . 66 HIS N . 52720 2 230 . 1 . 1 67 67 GLY H H 1 8.3985 0.0000 . 1 . . . . . 67 GLY H . 52720 2 231 . 1 . 1 67 67 GLY CA C 13 42.6993 0.0000 . 1 . . . . . 67 GLY CA . 52720 2 232 . 1 . 1 67 67 GLY N N 15 104.9581 0.0000 . 1 . . . . . 67 GLY N . 52720 2 233 . 1 . 1 68 68 LEU H H 1 7.4275 0.0000 . 1 . . . . . 68 LEU H . 52720 2 234 . 1 . 1 68 68 LEU CA C 13 53.0065 0.0000 . 1 . . . . . 68 LEU CA . 52720 2 235 . 1 . 1 68 68 LEU CB C 13 43.4484 0.0000 . 1 . . . . . 68 LEU CB . 52720 2 236 . 1 . 1 68 68 LEU N N 15 118.4931 0.0000 . 1 . . . . . 68 LEU N . 52720 2 237 . 1 . 1 69 69 LYS H H 1 8.7222 0.0000 . 1 . . . . . 69 LYS H . 52720 2 238 . 1 . 1 69 69 LYS CA C 13 57.1511 0.0000 . 1 . . . . . 69 LYS CA . 52720 2 239 . 1 . 1 69 69 LYS CB C 13 33.3061 0.0000 . 1 . . . . . 69 LYS CB . 52720 2 240 . 1 . 1 69 69 LYS N N 15 120.7962 0.0000 . 1 . . . . . 69 LYS N . 52720 2 241 . 1 . 1 70 70 LEU H H 1 8.6689 0.0000 . 1 . . . . . 70 LEU H . 52720 2 242 . 1 . 1 70 70 LEU CA C 13 53.6797 0.0000 . 1 . . . . . 70 LEU CA . 52720 2 243 . 1 . 1 70 70 LEU CB C 13 43.7063 0.0000 . 1 . . . . . 70 LEU CB . 52720 2 244 . 1 . 1 70 70 LEU N N 15 125.7714 0.0000 . 1 . . . . . 70 LEU N . 52720 2 245 . 1 . 1 71 71 TYR H H 1 9.3043 0.0000 . 1 . . . . . 71 TYR H . 52720 2 246 . 1 . 1 71 71 TYR CA C 13 55.8653 0.0000 . 1 . . . . . 71 TYR CA . 52720 2 247 . 1 . 1 71 71 TYR CB C 13 40.9608 0.0000 . 1 . . . . . 71 TYR CB . 52720 2 248 . 1 . 1 71 71 TYR N N 15 127.8645 0.0000 . 1 . . . . . 71 TYR N . 52720 2 249 . 1 . 1 72 72 VAL H H 1 8.8575 0.0000 . 1 . . . . . 72 VAL H . 52720 2 250 . 1 . 1 72 72 VAL CA C 13 60.4705 0.0000 . 1 . . . . . 72 VAL CA . 52720 2 251 . 1 . 1 72 72 VAL CB C 13 34.2062 0.0000 . 1 . . . . . 72 VAL CB . 52720 2 252 . 1 . 1 72 72 VAL N N 15 120.5746 0.0000 . 1 . . . . . 72 VAL N . 52720 2 253 . 1 . 1 73 73 GLN H H 1 8.3323 0.0000 . 1 . . . . . 73 GLN H . 52720 2 254 . 1 . 1 73 73 GLN CA C 13 56.8724 0.0000 . 1 . . . . . 73 GLN CA . 52720 2 255 . 1 . 1 73 73 GLN CB C 13 25.5297 0.0000 . 1 . . . . . 73 GLN CB . 52720 2 256 . 1 . 1 73 73 GLN N N 15 125.2 0.0000 . 1 . . . . . 73 GLN N . 52720 2 257 . 1 . 1 74 74 ARG H H 1 9.3561 0.0000 . 1 . . . . . 74 ARG H . 52720 2 258 . 1 . 1 74 74 ARG CA C 13 58.3782 0.0000 . 1 . . . . . 74 ARG CA . 52720 2 259 . 1 . 1 74 74 ARG CB C 13 28.2971 0.0000 . 1 . . . . . 74 ARG CB . 52720 2 260 . 1 . 1 74 74 ARG N N 15 111.1486 0.0000 . 1 . . . . . 74 ARG N . 52720 2 261 . 1 . 1 75 75 VAL H H 1 8.4145 0.0000 . 1 . . . . . 75 VAL H . 52720 2 262 . 1 . 1 75 75 VAL CA C 13 62.0834 0.0000 . 1 . . . . . 75 VAL CA . 52720 2 263 . 1 . 1 75 75 VAL CB C 13 31.5428 0.0000 . 1 . . . . . 75 VAL CB . 52720 2 264 . 1 . 1 75 75 VAL N N 15 125.1636 0.0000 . 1 . . . . . 75 VAL N . 52720 2 265 . 1 . 1 76 76 PHE H H 1 8.739 0.0000 . 1 . . . . . 76 PHE H . 52720 2 266 . 1 . 1 76 76 PHE CA C 13 59.2272 0.0000 . 1 . . . . . 76 PHE CA . 52720 2 267 . 1 . 1 76 76 PHE CB C 13 37.723 0.0000 . 1 . . . . . 76 PHE CB . 52720 2 268 . 1 . 1 76 76 PHE N N 15 128.3184 0.0000 . 1 . . . . . 76 PHE N . 52720 2 269 . 1 . 1 77 77 ILE H H 1 8.2926 0.0000 . 1 . . . . . 77 ILE H . 52720 2 270 . 1 . 1 77 77 ILE CA C 13 59.1939 0.0000 . 1 . . . . . 77 ILE CA . 52720 2 271 . 1 . 1 77 77 ILE CB C 13 36.5587 0.0000 . 1 . . . . . 77 ILE CB . 52720 2 272 . 1 . 1 77 77 ILE N N 15 127.9019 0.0000 . 1 . . . . . 77 ILE N . 52720 2 273 . 1 . 1 78 78 MET H H 1 6.6464 0.0000 . 1 . . . . . 78 MET H . 52720 2 274 . 1 . 1 78 78 MET CA C 13 55.3316 0.0000 . 1 . . . . . 78 MET CA . 52720 2 275 . 1 . 1 78 78 MET CB C 13 34.0745 0.0000 . 1 . . . . . 78 MET CB . 52720 2 276 . 1 . 1 78 78 MET N N 15 111.9626 0.0000 . 1 . . . . . 78 MET N . 52720 2 277 . 1 . 1 79 79 ASP H H 1 8.4816 0.0000 . 1 . . . . . 79 ASP H . 52720 2 278 . 1 . 1 79 79 ASP CA C 13 53.12 0.0000 . 1 . . . . . 79 ASP CA . 52720 2 279 . 1 . 1 79 79 ASP CB C 13 43.2076 0.0000 . 1 . . . . . 79 ASP CB . 52720 2 280 . 1 . 1 79 79 ASP N N 15 120.951 0.0000 . 1 . . . . . 79 ASP N . 52720 2 281 . 1 . 1 80 80 ASP H H 1 8.483 0.0000 . 1 . . . . . 80 ASP H . 52720 2 282 . 1 . 1 80 80 ASP CA C 13 55.0584 0.0000 . 1 . . . . . 80 ASP CA . 52720 2 283 . 1 . 1 80 80 ASP CB C 13 38.552 0.0000 . 1 . . . . . 80 ASP CB . 52720 2 284 . 1 . 1 80 80 ASP N N 15 116.5648 0.0000 . 1 . . . . . 80 ASP N . 52720 2 285 . 1 . 1 81 81 ALA H H 1 9.0854 0.0000 . 1 . . . . . 81 ALA H . 52720 2 286 . 1 . 1 81 81 ALA CA C 13 51.7789 0.0000 . 1 . . . . . 81 ALA CA . 52720 2 287 . 1 . 1 81 81 ALA CB C 13 16.668 0.0000 . 1 . . . . . 81 ALA CB . 52720 2 288 . 1 . 1 81 81 ALA N N 15 121.9118 0.0000 . 1 . . . . . 81 ALA N . 52720 2 289 . 1 . 1 82 82 GLU H H 1 8.798 0.0000 . 1 . . . . . 82 GLU H . 52720 2 290 . 1 . 1 82 82 GLU CA C 13 57.345 0.0000 . 1 . . . . . 82 GLU CA . 52720 2 291 . 1 . 1 82 82 GLU CB C 13 28.6395 0.0000 . 1 . . . . . 82 GLU CB . 52720 2 292 . 1 . 1 82 82 GLU N N 15 128.2125 0.0000 . 1 . . . . . 82 GLU N . 52720 2 293 . 1 . 1 83 83 GLN H H 1 8.6572 0.0000 . 1 . . . . . 83 GLN H . 52720 2 294 . 1 . 1 83 83 GLN CA C 13 57.822 0.0000 . 1 . . . . . 83 GLN CA . 52720 2 295 . 1 . 1 83 83 GLN CB C 13 26.157 0.0000 . 1 . . . . . 83 GLN CB . 52720 2 296 . 1 . 1 83 83 GLN N N 15 117.2966 0.0000 . 1 . . . . . 83 GLN N . 52720 2 297 . 1 . 1 84 84 PHE H H 1 7.181 0.0000 . 1 . . . . . 84 PHE H . 52720 2 298 . 1 . 1 84 84 PHE CA C 13 59.3893 0.0000 . 1 . . . . . 84 PHE CA . 52720 2 299 . 1 . 1 84 84 PHE CB C 13 39.6612 0.0000 . 1 . . . . . 84 PHE CB . 52720 2 300 . 1 . 1 84 84 PHE N N 15 114.6996 0.0000 . 1 . . . . . 84 PHE N . 52720 2 301 . 1 . 1 85 85 MET H H 1 6.983 0.0000 . 1 . . . . . 85 MET H . 52720 2 302 . 1 . 1 85 85 MET CA C 13 50.5147 0.0000 . 1 . . . . . 85 MET CA . 52720 2 303 . 1 . 1 85 85 MET CB C 13 36.7942 0.0000 . 1 . . . . . 85 MET CB . 52720 2 304 . 1 . 1 85 85 MET N N 15 113.9468 0.0000 . 1 . . . . . 85 MET N . 52720 2 305 . 1 . 1 86 86 PRO CA C 13 61.3902 0.0000 . 1 . . . . . 86 PRO CA . 52720 2 306 . 1 . 1 87 87 ASN H H 1 10.2429 0.0000 . 1 . . . . . 87 ASN H . 52720 2 307 . 1 . 1 87 87 ASN CA C 13 57.15 0.0000 . 1 . . . . . 87 ASN CA . 52720 2 308 . 1 . 1 87 87 ASN CB C 13 35.3094 0.0000 . 1 . . . . . 87 ASN CB . 52720 2 309 . 1 . 1 87 87 ASN N N 15 125.2529 0.0000 . 1 . . . . . 87 ASN N . 52720 2 310 . 1 . 1 88 88 TYR H H 1 9.0048 0.0000 . 1 . . . . . 88 TYR H . 52720 2 311 . 1 . 1 88 88 TYR CA C 13 58.4759 0.0000 . 1 . . . . . 88 TYR CA . 52720 2 312 . 1 . 1 88 88 TYR CB C 13 35.8431 0.0000 . 1 . . . . . 88 TYR CB . 52720 2 313 . 1 . 1 88 88 TYR N N 15 119.9094 0.0000 . 1 . . . . . 88 TYR N . 52720 2 314 . 1 . 1 91 91 PHE CA C 13 54.452 0.0000 . 1 . . . . . 91 PHE CA . 52720 2 315 . 1 . 1 91 91 PHE CB C 13 39.428 0.0000 . 1 . . . . . 91 PHE CB . 52720 2 316 . 1 . 1 92 92 VAL H H 1 6.7853 0.0000 . 1 . . . . . 92 VAL H . 52720 2 317 . 1 . 1 92 92 VAL CA C 13 63.894 0.0000 . 1 . . . . . 92 VAL CA . 52720 2 318 . 1 . 1 92 92 VAL CB C 13 31.075 0.0000 . 1 . . . . . 92 VAL CB . 52720 2 319 . 1 . 1 92 92 VAL N N 15 123.2436 0.0000 . 1 . . . . . 92 VAL N . 52720 2 320 . 1 . 1 93 93 ARG H H 1 8.1939 0.0000 . 1 . . . . . 93 ARG H . 52720 2 321 . 1 . 1 93 93 ARG CA C 13 51.8405 0.0000 . 1 . . . . . 93 ARG CA . 52720 2 322 . 1 . 1 93 93 ARG CB C 13 32.9182 0.0000 . 1 . . . . . 93 ARG CB . 52720 2 323 . 1 . 1 93 93 ARG N N 15 124.8779 0.0000 . 1 . . . . . 93 ARG N . 52720 2 324 . 1 . 1 94 94 GLY H H 1 9.2683 0.0000 . 1 . . . . . 94 GLY H . 52720 2 325 . 1 . 1 94 94 GLY CA C 13 44.9427 0.0000 . 1 . . . . . 94 GLY CA . 52720 2 326 . 1 . 1 94 94 GLY N N 15 107.765 0.0000 . 1 . . . . . 94 GLY N . 52720 2 327 . 1 . 1 95 95 LEU H H 1 9.1702 0.0000 . 1 . . . . . 95 LEU H . 52720 2 328 . 1 . 1 95 95 LEU CA C 13 53.263 0.0000 . 1 . . . . . 95 LEU CA . 52720 2 329 . 1 . 1 95 95 LEU CB C 13 46.287 0.0000 . 1 . . . . . 95 LEU CB . 52720 2 330 . 1 . 1 95 95 LEU N N 15 121.3613 0.0000 . 1 . . . . . 95 LEU N . 52720 2 331 . 1 . 1 96 96 ILE H H 1 8.5552 0.0000 . 1 . . . . . 96 ILE H . 52720 2 332 . 1 . 1 96 96 ILE CA C 13 57.487 0.0000 . 1 . . . . . 96 ILE CA . 52720 2 333 . 1 . 1 96 96 ILE CB C 13 40.771 0.0000 . 1 . . . . . 96 ILE CB . 52720 2 334 . 1 . 1 96 96 ILE N N 15 120.5636 0.0000 . 1 . . . . . 96 ILE N . 52720 2 335 . 1 . 1 97 97 ASP H H 1 8.7296 0.0000 . 1 . . . . . 97 ASP H . 52720 2 336 . 1 . 1 97 97 ASP CA C 13 50.8411 0.0000 . 1 . . . . . 97 ASP CA . 52720 2 337 . 1 . 1 97 97 ASP CB C 13 41.9254 0.0000 . 1 . . . . . 97 ASP CB . 52720 2 338 . 1 . 1 97 97 ASP N N 15 126.197 0.0000 . 1 . . . . . 97 ASP N . 52720 2 339 . 1 . 1 98 98 SER H H 1 8.722 0.0000 . 1 . . . . . 98 SER H . 52720 2 340 . 1 . 1 98 98 SER CA C 13 56.805 0.0000 . 1 . . . . . 98 SER CA . 52720 2 341 . 1 . 1 98 98 SER CB C 13 65.6772 0.0000 . 1 . . . . . 98 SER CB . 52720 2 342 . 1 . 1 98 98 SER N N 15 118.4123 0.0000 . 1 . . . . . 98 SER N . 52720 2 343 . 1 . 1 99 99 SER H H 1 8.1832 0.0000 . 1 . . . . . 99 SER H . 52720 2 344 . 1 . 1 99 99 SER CA C 13 59.4522 0.0000 . 1 . . . . . 99 SER CA . 52720 2 345 . 1 . 1 99 99 SER CB C 13 63.4561 0.0000 . 1 . . . . . 99 SER CB . 52720 2 346 . 1 . 1 99 99 SER N N 15 121.7311 0.0000 . 1 . . . . . 99 SER N . 52720 2 347 . 1 . 1 100 100 ASP H H 1 8.0605 0.0000 . 1 . . . . . 100 ASP H . 52720 2 348 . 1 . 1 100 100 ASP CA C 13 55.0165 0.0000 . 1 . . . . . 100 ASP CA . 52720 2 349 . 1 . 1 100 100 ASP CB C 13 42.8326 0.0000 . 1 . . . . . 100 ASP CB . 52720 2 350 . 1 . 1 100 100 ASP N N 15 119.1021 0.0000 . 1 . . . . . 100 ASP N . 52720 2 351 . 1 . 1 101 101 LEU H H 1 6.8424 0.0000 . 1 . . . . . 101 LEU H . 52720 2 352 . 1 . 1 101 101 LEU CA C 13 52.2299 0.0000 . 1 . . . . . 101 LEU CA . 52720 2 353 . 1 . 1 101 101 LEU CB C 13 42.0395 0.0000 . 1 . . . . . 101 LEU CB . 52720 2 354 . 1 . 1 101 101 LEU N N 15 121.1923 0.0000 . 1 . . . . . 101 LEU N . 52720 2 355 . 1 . 1 102 102 PRO CA C 13 61.5661 0.0000 . 1 . . . . . 102 PRO CA . 52720 2 356 . 1 . 1 102 102 PRO CB C 13 30.9774 0.0000 . 1 . . . . . 102 PRO CB . 52720 2 357 . 1 . 1 103 103 LEU H H 1 8.1125 0.0000 . 1 . . . . . 103 LEU H . 52720 2 358 . 1 . 1 103 103 LEU CA C 13 56.1668 0.0000 . 1 . . . . . 103 LEU CA . 52720 2 359 . 1 . 1 103 103 LEU CB C 13 46.3617 0.0000 . 1 . . . . . 103 LEU CB . 52720 2 360 . 1 . 1 103 103 LEU N N 15 119.8622 0.0000 . 1 . . . . . 103 LEU N . 52720 2 361 . 1 . 1 104 104 ASN H H 1 7.8011 0.0000 . 1 . . . . . 104 ASN H . 52720 2 362 . 1 . 1 104 104 ASN CA C 13 51.9011 0.0000 . 1 . . . . . 104 ASN CA . 52720 2 363 . 1 . 1 104 104 ASN CB C 13 36.5733 0.0000 . 1 . . . . . 104 ASN CB . 52720 2 364 . 1 . 1 104 104 ASN N N 15 114.5504 0.0000 . 1 . . . . . 104 ASN N . 52720 2 365 . 1 . 1 105 105 VAL H H 1 7.2383 0.0000 . 1 . . . . . 105 VAL H . 52720 2 366 . 1 . 1 105 105 VAL CA C 13 62.6698 0.0000 . 1 . . . . . 105 VAL CA . 52720 2 367 . 1 . 1 105 105 VAL CB C 13 30.911 0.0000 . 1 . . . . . 105 VAL CB . 52720 2 368 . 1 . 1 105 105 VAL N N 15 118.5145 0.0000 . 1 . . . . . 105 VAL N . 52720 2 369 . 1 . 1 106 106 SER H H 1 7.0215 0.0000 . 1 . . . . . 106 SER H . 52720 2 370 . 1 . 1 106 106 SER CA C 13 59.2428 0.0000 . 1 . . . . . 106 SER CA . 52720 2 371 . 1 . 1 106 106 SER CB C 13 66.086 0.0000 . 1 . . . . . 106 SER CB . 52720 2 372 . 1 . 1 106 106 SER N N 15 118.1997 0.0000 . 1 . . . . . 106 SER N . 52720 2 373 . 1 . 1 107 107 ARG CA C 13 60.0754 0.0000 . 1 . . . . . 107 ARG CA . 52720 2 374 . 1 . 1 107 107 ARG CB C 13 28.2344 0.0000 . 1 . . . . . 107 ARG CB . 52720 2 375 . 1 . 1 108 108 GLU H H 1 7.6481 0.0000 . 1 . . . . . 108 GLU H . 52720 2 376 . 1 . 1 108 108 GLU CA C 13 59.4434 0.0000 . 1 . . . . . 108 GLU CA . 52720 2 377 . 1 . 1 108 108 GLU CB C 13 31.3174 0.0000 . 1 . . . . . 108 GLU CB . 52720 2 378 . 1 . 1 108 108 GLU N N 15 120.7304 0.0000 . 1 . . . . . 108 GLU N . 52720 2 379 . 1 . 1 109 109 ILE H H 1 7.3465 0.0000 . 1 . . . . . 109 ILE H . 52720 2 380 . 1 . 1 109 109 ILE CA C 13 62.8368 0.0000 . 1 . . . . . 109 ILE CA . 52720 2 381 . 1 . 1 109 109 ILE CB C 13 37.2097 0.0000 . 1 . . . . . 109 ILE CB . 52720 2 382 . 1 . 1 109 109 ILE N N 15 120.061 0.0000 . 1 . . . . . 109 ILE N . 52720 2 383 . 1 . 1 110 110 LEU H H 1 7.6788 0.0000 . 1 . . . . . 110 LEU H . 52720 2 384 . 1 . 1 110 110 LEU CA C 13 56.478 0.0000 . 1 . . . . . 110 LEU CA . 52720 2 385 . 1 . 1 110 110 LEU CB C 13 40.8047 0.0000 . 1 . . . . . 110 LEU CB . 52720 2 386 . 1 . 1 110 110 LEU N N 15 119.373 0.0000 . 1 . . . . . 110 LEU N . 52720 2 387 . 1 . 1 111 111 GLN H H 1 7.5938 0.0000 . 1 . . . . . 111 GLN H . 52720 2 388 . 1 . 1 111 111 GLN CA C 13 57.3843 0.0000 . 1 . . . . . 111 GLN CA . 52720 2 389 . 1 . 1 111 111 GLN CB C 13 27.8701 0.0000 . 1 . . . . . 111 GLN CB . 52720 2 390 . 1 . 1 111 111 GLN N N 15 116.7003 0.0000 . 1 . . . . . 111 GLN N . 52720 2 391 . 1 . 1 112 112 ASP H H 1 7.3976 0.0000 . 1 . . . . . 112 ASP H . 52720 2 392 . 1 . 1 112 112 ASP CA C 13 53.823 0.0000 . 1 . . . . . 112 ASP CA . 52720 2 393 . 1 . 1 112 112 ASP CB C 13 41.141 0.0000 . 1 . . . . . 112 ASP CB . 52720 2 394 . 1 . 1 112 112 ASP N N 15 117.736 0.0000 . 1 . . . . . 112 ASP N . 52720 2 395 . 1 . 1 113 113 SER H H 1 7.4724 0.0000 . 1 . . . . . 113 SER H . 52720 2 396 . 1 . 1 113 113 SER CA C 13 57.668 0.0000 . 1 . . . . . 113 SER CA . 52720 2 397 . 1 . 1 113 113 SER CB C 13 63.8926 0.0000 . 1 . . . . . 113 SER CB . 52720 2 398 . 1 . 1 113 113 SER N N 15 116.3799 0.0000 . 1 . . . . . 113 SER N . 52720 2 399 . 1 . 1 114 114 THR H H 1 9.6772 0.0000 . 1 . . . . . 114 THR H . 52720 2 400 . 1 . 1 114 114 THR CA C 13 65.449 0.0000 . 1 . . . . . 114 THR CA . 52720 2 401 . 1 . 1 114 114 THR CB C 13 68.294 0.0000 . 1 . . . . . 114 THR CB . 52720 2 402 . 1 . 1 114 114 THR N N 15 120.6177 0.0000 . 1 . . . . . 114 THR N . 52720 2 403 . 1 . 1 115 115 VAL H H 1 7.9118 0.0000 . 1 . . . . . 115 VAL H . 52720 2 404 . 1 . 1 115 115 VAL CA C 13 65.6152 0.0000 . 1 . . . . . 115 VAL CA . 52720 2 405 . 1 . 1 115 115 VAL CB C 13 30.8855 0.0000 . 1 . . . . . 115 VAL CB . 52720 2 406 . 1 . 1 115 115 VAL N N 15 122.5105 0.0000 . 1 . . . . . 115 VAL N . 52720 2 407 . 1 . 1 116 116 THR H H 1 7.2978 0.0000 . 1 . . . . . 116 THR H . 52720 2 408 . 1 . 1 116 116 THR CA C 13 65.8218 0.0000 . 1 . . . . . 116 THR CA . 52720 2 409 . 1 . 1 116 116 THR CB C 13 67.7914 0.0000 . 1 . . . . . 116 THR CB . 52720 2 410 . 1 . 1 116 116 THR N N 15 115.1123 0.0000 . 1 . . . . . 116 THR N . 52720 2 411 . 1 . 1 117 117 ARG H H 1 7.5374 0.0000 . 1 . . . . . 117 ARG H . 52720 2 412 . 1 . 1 117 117 ARG CA C 13 59.4402 0.0000 . 1 . . . . . 117 ARG CA . 52720 2 413 . 1 . 1 117 117 ARG CB C 13 28.7225 0.0000 . 1 . . . . . 117 ARG CB . 52720 2 414 . 1 . 1 117 117 ARG N N 15 121.7353 0.0000 . 1 . . . . . 117 ARG N . 52720 2 415 . 1 . 1 118 118 ASN H H 1 8.1543 0.0000 . 1 . . . . . 118 ASN H . 52720 2 416 . 1 . 1 118 118 ASN CA C 13 55.7419 0.0000 . 1 . . . . . 118 ASN CA . 52720 2 417 . 1 . 1 118 118 ASN CB C 13 36.9139 0.0000 . 1 . . . . . 118 ASN CB . 52720 2 418 . 1 . 1 118 118 ASN N N 15 118.334 0.0000 . 1 . . . . . 118 ASN N . 52720 2 419 . 1 . 1 119 119 LEU H H 1 8.3107 0.0000 . 1 . . . . . 119 LEU H . 52720 2 420 . 1 . 1 119 119 LEU CA C 13 58.1909 0.0000 . 1 . . . . . 119 LEU CA . 52720 2 421 . 1 . 1 119 119 LEU CB C 13 41.0974 0.0000 . 1 . . . . . 119 LEU CB . 52720 2 422 . 1 . 1 119 119 LEU N N 15 124.2318 0.0000 . 1 . . . . . 119 LEU N . 52720 2 423 . 1 . 1 120 120 ARG H H 1 8.8047 0.0000 . 1 . . . . . 120 ARG H . 52720 2 424 . 1 . 1 120 120 ARG CA C 13 58.5891 0.0000 . 1 . . . . . 120 ARG CA . 52720 2 425 . 1 . 1 120 120 ARG CB C 13 28.8342 0.0000 . 1 . . . . . 120 ARG CB . 52720 2 426 . 1 . 1 120 120 ARG N N 15 121.513 0.0000 . 1 . . . . . 120 ARG N . 52720 2 427 . 1 . 1 121 121 ASN H H 1 8.1683 0.0000 . 1 . . . . . 121 ASN H . 52720 2 428 . 1 . 1 121 121 ASN CA C 13 55.715 0.0000 . 1 . . . . . 121 ASN CA . 52720 2 429 . 1 . 1 121 121 ASN CB C 13 37.3475 0.0000 . 1 . . . . . 121 ASN CB . 52720 2 430 . 1 . 1 121 121 ASN N N 15 121.0294 0.0000 . 1 . . . . . 121 ASN N . 52720 2 431 . 1 . 1 122 122 ALA H H 1 7.767 0.0000 . 1 . . . . . 122 ALA H . 52720 2 432 . 1 . 1 122 122 ALA CA C 13 54.9574 0.0000 . 1 . . . . . 122 ALA CA . 52720 2 433 . 1 . 1 122 122 ALA CB C 13 17.8208 0.0000 . 1 . . . . . 122 ALA CB . 52720 2 434 . 1 . 1 122 122 ALA N N 15 124.0063 0.0000 . 1 . . . . . 122 ALA N . 52720 2 435 . 1 . 1 123 123 LEU H H 1 9.2797 0.0000 . 1 . . . . . 123 LEU H . 52720 2 436 . 1 . 1 123 123 LEU CA C 13 57.3869 0.0000 . 1 . . . . . 123 LEU CA . 52720 2 437 . 1 . 1 123 123 LEU CB C 13 40.1578 0.0000 . 1 . . . . . 123 LEU CB . 52720 2 438 . 1 . 1 123 123 LEU N N 15 120.8423 0.0000 . 1 . . . . . 123 LEU N . 52720 2 439 . 1 . 1 124 124 THR H H 1 8.1073 0.0000 . 1 . . . . . 124 THR H . 52720 2 440 . 1 . 1 124 124 THR CA C 13 67.3025 0.0000 . 1 . . . . . 124 THR CA . 52720 2 441 . 1 . 1 124 124 THR CB C 13 68.5003 0.0000 . 1 . . . . . 124 THR CB . 52720 2 442 . 1 . 1 124 124 THR N N 15 117.3306 0.0000 . 1 . . . . . 124 THR N . 52720 2 443 . 1 . 1 125 125 LYS H H 1 6.9598 0.0000 . 1 . . . . . 125 LYS H . 52720 2 444 . 1 . 1 125 125 LYS CA C 13 59.5131 0.0000 . 1 . . . . . 125 LYS CA . 52720 2 445 . 1 . 1 125 125 LYS CB C 13 31.0229 0.0000 . 1 . . . . . 125 LYS CB . 52720 2 446 . 1 . 1 125 125 LYS N N 15 118.9898 0.0000 . 1 . . . . . 125 LYS N . 52720 2 447 . 1 . 1 126 126 ARG H H 1 7.6244 0.0000 . 1 . . . . . 126 ARG H . 52720 2 448 . 1 . 1 126 126 ARG CA C 13 57.5515 0.0000 . 1 . . . . . 126 ARG CA . 52720 2 449 . 1 . 1 126 126 ARG CB C 13 27.6237 0.0000 . 1 . . . . . 126 ARG CB . 52720 2 450 . 1 . 1 126 126 ARG N N 15 118.3316 0.0000 . 1 . . . . . 126 ARG N . 52720 2 451 . 1 . 1 127 127 VAL H H 1 7.4869 0.0000 . 1 . . . . . 127 VAL H . 52720 2 452 . 1 . 1 127 127 VAL CA C 13 52.1002 0.0000 . 1 . . . . . 127 VAL CA . 52720 2 453 . 1 . 1 127 127 VAL CB C 13 37.6678 0.0000 . 1 . . . . . 127 VAL CB . 52720 2 454 . 1 . 1 127 127 VAL N N 15 120.6154 0.0000 . 1 . . . . . 127 VAL N . 52720 2 455 . 1 . 1 128 128 LEU CA C 13 58.572 0.0000 . 1 . . . . . 128 LEU CA . 52720 2 456 . 1 . 1 128 128 LEU CB C 13 39.318 0.0000 . 1 . . . . . 128 LEU CB . 52720 2 457 . 1 . 1 129 129 GLN CA C 13 58.812 0.0000 . 1 . . . . . 129 GLN CA . 52720 2 458 . 1 . 1 129 129 GLN CB C 13 27.383 0.0000 . 1 . . . . . 129 GLN CB . 52720 2 459 . 1 . 1 130 130 MET CA C 13 58.6111 0.0000 . 1 . . . . . 130 MET CA . 52720 2 460 . 1 . 1 130 130 MET CB C 13 28.2966 0.0000 . 1 . . . . . 130 MET CB . 52720 2 461 . 1 . 1 131 131 LEU H H 1 7.8118 0.0000 . 1 . . . . . 131 LEU H . 52720 2 462 . 1 . 1 131 131 LEU CA C 13 59.0562 0.0000 . 1 . . . . . 131 LEU CA . 52720 2 463 . 1 . 1 131 131 LEU CB C 13 30.1081 0.0000 . 1 . . . . . 131 LEU CB . 52720 2 464 . 1 . 1 131 131 LEU N N 15 119.5325 0.0000 . 1 . . . . . 131 LEU N . 52720 2 465 . 1 . 1 132 132 GLU H H 1 8.8045 0.0000 . 1 . . . . . 132 GLU H . 52720 2 466 . 1 . 1 132 132 GLU CA C 13 58.5605 0.0000 . 1 . . . . . 132 GLU CA . 52720 2 467 . 1 . 1 132 132 GLU CB C 13 28.8717 0.0000 . 1 . . . . . 132 GLU CB . 52720 2 468 . 1 . 1 132 132 GLU N N 15 121.5227 0.0000 . 1 . . . . . 132 GLU N . 52720 2 469 . 1 . 1 133 133 LYS CA C 13 59.2626 0.0000 . 1 . . . . . 133 LYS CA . 52720 2 470 . 1 . 1 133 133 LYS CB C 13 37.2569 0.0000 . 1 . . . . . 133 LYS CB . 52720 2 471 . 1 . 1 134 134 LEU CA C 13 57.4432 0.0000 . 1 . . . . . 134 LEU CA . 52720 2 472 . 1 . 1 134 134 LEU CB C 13 41.303 0.0000 . 1 . . . . . 134 LEU CB . 52720 2 473 . 1 . 1 135 135 ALA H H 1 7.8102 0.0000 . 1 . . . . . 135 ALA H . 52720 2 474 . 1 . 1 135 135 ALA CA C 13 54.3732 0.0000 . 1 . . . . . 135 ALA CA . 52720 2 475 . 1 . 1 135 135 ALA CB C 13 16.1821 0.0000 . 1 . . . . . 135 ALA CB . 52720 2 476 . 1 . 1 135 135 ALA N N 15 117.7902 0.0000 . 1 . . . . . 135 ALA N . 52720 2 477 . 1 . 1 136 136 LYS H H 1 7.2204 0.0000 . 1 . . . . . 136 LYS H . 52720 2 478 . 1 . 1 136 136 LYS CA C 13 57.156 0.0000 . 1 . . . . . 136 LYS CA . 52720 2 479 . 1 . 1 136 136 LYS CB C 13 32.3011 0.0000 . 1 . . . . . 136 LYS CB . 52720 2 480 . 1 . 1 136 136 LYS N N 15 115.5129 0.0000 . 1 . . . . . 136 LYS N . 52720 2 481 . 1 . 1 137 137 ASP H H 1 8.5324 0.0000 . 1 . . . . . 137 ASP H . 52720 2 482 . 1 . 1 137 137 ASP CA C 13 55.8354 0.0000 . 1 . . . . . 137 ASP CA . 52720 2 483 . 1 . 1 137 137 ASP CB C 13 40.7573 0.0000 . 1 . . . . . 137 ASP CB . 52720 2 484 . 1 . 1 137 137 ASP N N 15 120.1003 0.0000 . 1 . . . . . 137 ASP N . 52720 2 485 . 1 . 1 138 138 ASP H H 1 8.5437 0.0000 . 1 . . . . . 138 ASP H . 52720 2 486 . 1 . 1 138 138 ASP CA C 13 53.0748 0.0000 . 1 . . . . . 138 ASP CA . 52720 2 487 . 1 . 1 138 138 ASP CB C 13 40.7843 0.0000 . 1 . . . . . 138 ASP CB . 52720 2 488 . 1 . 1 138 138 ASP N N 15 121.2983 0.0000 . 1 . . . . . 138 ASP N . 52720 2 489 . 1 . 1 139 139 ALA H H 1 8.6541 0.0000 . 1 . . . . . 139 ALA H . 52720 2 490 . 1 . 1 139 139 ALA CA C 13 55.1247 0.0000 . 1 . . . . . 139 ALA CA . 52720 2 491 . 1 . 1 139 139 ALA CB C 13 17.7715 0.0000 . 1 . . . . . 139 ALA CB . 52720 2 492 . 1 . 1 139 139 ALA N N 15 127.4792 0.0000 . 1 . . . . . 139 ALA N . 52720 2 493 . 1 . 1 140 140 GLU H H 1 8.304 0.0000 . 1 . . . . . 140 GLU H . 52720 2 494 . 1 . 1 140 140 GLU CA C 13 59.4378 0.0000 . 1 . . . . . 140 GLU CA . 52720 2 495 . 1 . 1 140 140 GLU CB C 13 28.74 0.0000 . 1 . . . . . 140 GLU CB . 52720 2 496 . 1 . 1 140 140 GLU N N 15 118.8876 0.0000 . 1 . . . . . 140 GLU N . 52720 2 497 . 1 . 1 141 141 LYS H H 1 7.8818 0.0000 . 1 . . . . . 141 LYS H . 52720 2 498 . 1 . 1 141 141 LYS CA C 13 59.4832 0.0000 . 1 . . . . . 141 LYS CA . 52720 2 499 . 1 . 1 141 141 LYS CB C 13 32.2054 0.0000 . 1 . . . . . 141 LYS CB . 52720 2 500 . 1 . 1 141 141 LYS N N 15 121.4789 0.0000 . 1 . . . . . 141 LYS N . 52720 2 501 . 1 . 1 142 142 TYR H H 1 8.9016 0.0000 . 1 . . . . . 142 TYR H . 52720 2 502 . 1 . 1 142 142 TYR CA C 13 63.1813 0.0000 . 1 . . . . . 142 TYR CA . 52720 2 503 . 1 . 1 142 142 TYR CB C 13 37.7374 0.0000 . 1 . . . . . 142 TYR CB . 52720 2 504 . 1 . 1 142 142 TYR N N 15 120.7442 0.0000 . 1 . . . . . 142 TYR N . 52720 2 505 . 1 . 1 143 143 GLN H H 1 8.1253 0.0000 . 1 . . . . . 143 GLN H . 52720 2 506 . 1 . 1 143 143 GLN CA C 13 58.6496 0.0000 . 1 . . . . . 143 GLN CA . 52720 2 507 . 1 . 1 143 143 GLN CB C 13 27.1653 0.0000 . 1 . . . . . 143 GLN CB . 52720 2 508 . 1 . 1 143 143 GLN N N 15 119.0455 0.0000 . 1 . . . . . 143 GLN N . 52720 2 509 . 1 . 1 144 144 THR H H 1 7.641 0.0000 . 1 . . . . . 144 THR H . 52720 2 510 . 1 . 1 144 144 THR CA C 13 66.6421 0.0000 . 1 . . . . . 144 THR CA . 52720 2 511 . 1 . 1 144 144 THR CB C 13 67.9236 0.0000 . 1 . . . . . 144 THR CB . 52720 2 512 . 1 . 1 144 144 THR N N 15 118.6718 0.0000 . 1 . . . . . 144 THR N . 52720 2 513 . 1 . 1 145 145 PHE H H 1 7.8249 0.0000 . 1 . . . . . 145 PHE H . 52720 2 514 . 1 . 1 145 145 PHE CA C 13 60.496 0.0000 . 1 . . . . . 145 PHE CA . 52720 2 515 . 1 . 1 145 145 PHE CB C 13 36.5799 0.0000 . 1 . . . . . 145 PHE CB . 52720 2 516 . 1 . 1 145 145 PHE N N 15 121.9368 0.0000 . 1 . . . . . 145 PHE N . 52720 2 517 . 1 . 1 146 146 TRP H H 1 7.2546 0.0000 . 1 . . . . . 146 TRP H . 52720 2 518 . 1 . 1 146 146 TRP CA C 13 61.0388 0.0000 . 1 . . . . . 146 TRP CA . 52720 2 519 . 1 . 1 146 146 TRP CB C 13 29.6499 0.0000 . 1 . . . . . 146 TRP CB . 52720 2 520 . 1 . 1 146 146 TRP N N 15 118.1127 0.0000 . 1 . . . . . 146 TRP N . 52720 2 521 . 1 . 1 147 147 GLN H H 1 8.3033 0.0000 . 1 . . . . . 147 GLN H . 52720 2 522 . 1 . 1 147 147 GLN CA C 13 59.4111 0.0000 . 1 . . . . . 147 GLN CA . 52720 2 523 . 1 . 1 147 147 GLN CB C 13 28.4209 0.0000 . 1 . . . . . 147 GLN CB . 52720 2 524 . 1 . 1 147 147 GLN N N 15 118.7352 0.0000 . 1 . . . . . 147 GLN N . 52720 2 525 . 1 . 1 148 148 GLN H H 1 8.2522 0.0000 . 1 . . . . . 148 GLN H . 52720 2 526 . 1 . 1 148 148 GLN CA C 13 57.9285 0.0000 . 1 . . . . . 148 GLN CA . 52720 2 527 . 1 . 1 148 148 GLN CB C 13 27.7879 0.0000 . 1 . . . . . 148 GLN CB . 52720 2 528 . 1 . 1 148 148 GLN N N 15 118.5345 0.0000 . 1 . . . . . 148 GLN N . 52720 2 529 . 1 . 1 149 149 PHE H H 1 7.8556 0.0000 . 1 . . . . . 149 PHE H . 52720 2 530 . 1 . 1 149 149 PHE CA C 13 56.673 0.0000 . 1 . . . . . 149 PHE CA . 52720 2 531 . 1 . 1 149 149 PHE CB C 13 39.438 0.0000 . 1 . . . . . 149 PHE CB . 52720 2 532 . 1 . 1 149 149 PHE N N 15 113.9035 0.0000 . 1 . . . . . 149 PHE N . 52720 2 533 . 1 . 1 150 150 GLY CA C 13 45.8183 0.0000 . 1 . . . . . 150 GLY CA . 52720 2 534 . 1 . 1 151 151 LEU H H 1 7.4172 0.0000 . 1 . . . . . 151 LEU H . 52720 2 535 . 1 . 1 151 151 LEU CA C 13 57.5293 0.0000 . 1 . . . . . 151 LEU CA . 52720 2 536 . 1 . 1 151 151 LEU CB C 13 40.8962 0.0000 . 1 . . . . . 151 LEU CB . 52720 2 537 . 1 . 1 151 151 LEU N N 15 115.5444 0.0000 . 1 . . . . . 151 LEU N . 52720 2 538 . 1 . 1 152 152 VAL H H 1 7.1821 0.0000 . 1 . . . . . 152 VAL H . 52720 2 539 . 1 . 1 152 152 VAL CA C 13 65.038 0.0000 . 1 . . . . . 152 VAL CA . 52720 2 540 . 1 . 1 152 152 VAL CB C 13 30.867 0.0000 . 1 . . . . . 152 VAL CB . 52720 2 541 . 1 . 1 152 152 VAL N N 15 118.5097 0.0000 . 1 . . . . . 152 VAL N . 52720 2 542 . 1 . 1 153 153 LEU H H 1 8.7104 0.0000 . 1 . . . . . 153 LEU H . 52720 2 543 . 1 . 1 153 153 LEU CA C 13 52.9906 0.0000 . 1 . . . . . 153 LEU CA . 52720 2 544 . 1 . 1 153 153 LEU CB C 13 43.2837 0.0000 . 1 . . . . . 153 LEU CB . 52720 2 545 . 1 . 1 153 153 LEU N N 15 121.4146 0.0000 . 1 . . . . . 153 LEU N . 52720 2 546 . 1 . 1 154 154 LYS H H 1 8.7218 0.0000 . 1 . . . . . 154 LYS H . 52720 2 547 . 1 . 1 154 154 LYS CA C 13 55.4379 0.0000 . 1 . . . . . 154 LYS CA . 52720 2 548 . 1 . 1 154 154 LYS CB C 13 37.1665 0.0000 . 1 . . . . . 154 LYS CB . 52720 2 549 . 1 . 1 154 154 LYS N N 15 121.4146 0.0000 . 1 . . . . . 154 LYS N . 52720 2 550 . 1 . 1 155 155 GLU H H 1 8.583 0.0000 . 1 . . . . . 155 GLU H . 52720 2 551 . 1 . 1 155 155 GLU CA C 13 57.4321 0.0000 . 1 . . . . . 155 GLU CA . 52720 2 552 . 1 . 1 155 155 GLU CB C 13 28.7833 0.0000 . 1 . . . . . 155 GLU CB . 52720 2 553 . 1 . 1 155 155 GLU N N 15 123.4144 0.0000 . 1 . . . . . 155 GLU N . 52720 2 554 . 1 . 1 156 156 GLY H H 1 8.5124 0.0000 . 1 . . . . . 156 GLY H . 52720 2 555 . 1 . 1 156 156 GLY CA C 13 47.7435 0.0000 . 1 . . . . . 156 GLY CA . 52720 2 556 . 1 . 1 156 156 GLY N N 15 107.9634 0.0000 . 1 . . . . . 156 GLY N . 52720 2 557 . 1 . 1 157 157 PRO CA C 13 65.5886 0.0000 . 1 . . . . . 157 PRO CA . 52720 2 558 . 1 . 1 157 157 PRO CB C 13 30.2986 0.0000 . 1 . . . . . 157 PRO CB . 52720 2 559 . 1 . 1 158 158 ALA H H 1 6.8872 0.0000 . 1 . . . . . 158 ALA H . 52720 2 560 . 1 . 1 158 158 ALA CA C 13 52.6125 0.0000 . 1 . . . . . 158 ALA CA . 52720 2 561 . 1 . 1 158 158 ALA CB C 13 19.0001 0.0000 . 1 . . . . . 158 ALA CB . 52720 2 562 . 1 . 1 158 158 ALA N N 15 113.5897 0.0000 . 1 . . . . . 158 ALA N . 52720 2 563 . 1 . 1 159 159 GLU H H 1 7.1281 0.0000 . 1 . . . . . 159 GLU H . 52720 2 564 . 1 . 1 159 159 GLU CA C 13 56.7563 0.0000 . 1 . . . . . 159 GLU CA . 52720 2 565 . 1 . 1 159 159 GLU CB C 13 30.9327 0.0000 . 1 . . . . . 159 GLU CB . 52720 2 566 . 1 . 1 159 159 GLU N N 15 117.0476 0.0000 . 1 . . . . . 159 GLU N . 52720 2 567 . 1 . 1 160 160 ASP H H 1 8.1325 0.0000 . 1 . . . . . 160 ASP H . 52720 2 568 . 1 . 1 160 160 ASP CA C 13 51.6505 0.0000 . 1 . . . . . 160 ASP CA . 52720 2 569 . 1 . 1 160 160 ASP CB C 13 41.5435 0.0000 . 1 . . . . . 160 ASP CB . 52720 2 570 . 1 . 1 160 160 ASP N N 15 121.6107 0.0000 . 1 . . . . . 160 ASP N . 52720 2 571 . 1 . 1 161 161 PHE H H 1 8.004 0.0000 . 1 . . . . . 161 PHE H . 52720 2 572 . 1 . 1 161 161 PHE CA C 13 59.4808 0.0000 . 1 . . . . . 161 PHE CA . 52720 2 573 . 1 . 1 161 161 PHE CB C 13 37.8986 0.0000 . 1 . . . . . 161 PHE CB . 52720 2 574 . 1 . 1 161 161 PHE N N 15 122.4657 0.0000 . 1 . . . . . 161 PHE N . 52720 2 575 . 1 . 1 162 162 ALA H H 1 8.3731 0.0000 . 1 . . . . . 162 ALA H . 52720 2 576 . 1 . 1 162 162 ALA CA C 13 54.2559 0.0000 . 1 . . . . . 162 ALA CA . 52720 2 577 . 1 . 1 162 162 ALA CB C 13 17.8506 0.0000 . 1 . . . . . 162 ALA CB . 52720 2 578 . 1 . 1 162 162 ALA N N 15 121.8947 0.0000 . 1 . . . . . 162 ALA N . 52720 2 579 . 1 . 1 163 163 ASN H H 1 7.2841 0.0000 . 1 . . . . . 163 ASN H . 52720 2 580 . 1 . 1 163 163 ASN CA C 13 51.8842 0.0000 . 1 . . . . . 163 ASN CA . 52720 2 581 . 1 . 1 163 163 ASN CB C 13 38.3587 0.0000 . 1 . . . . . 163 ASN CB . 52720 2 582 . 1 . 1 163 163 ASN N N 15 113.3973 0.0000 . 1 . . . . . 163 ASN N . 52720 2 583 . 1 . 1 164 164 GLN H H 1 7.3239 0.0000 . 1 . . . . . 164 GLN H . 52720 2 584 . 1 . 1 164 164 GLN CA C 13 61.0322 0.0000 . 1 . . . . . 164 GLN CA . 52720 2 585 . 1 . 1 164 164 GLN CB C 13 28.6135 0.0000 . 1 . . . . . 164 GLN CB . 52720 2 586 . 1 . 1 164 164 GLN N N 15 120.0609 0.0000 . 1 . . . . . 164 GLN N . 52720 2 587 . 1 . 1 165 165 GLU H H 1 8.5242 0.0000 . 1 . . . . . 165 GLU H . 52720 2 588 . 1 . 1 165 165 GLU CA C 13 59.7463 0.0000 . 1 . . . . . 165 GLU CA . 52720 2 589 . 1 . 1 165 165 GLU CB C 13 28.3619 0.0000 . 1 . . . . . 165 GLU CB . 52720 2 590 . 1 . 1 165 165 GLU N N 15 119.064 0.0000 . 1 . . . . . 165 GLU N . 52720 2 591 . 1 . 1 166 166 ALA H H 1 7.5296 0.0000 . 1 . . . . . 166 ALA H . 52720 2 592 . 1 . 1 166 166 ALA CA C 13 54.3375 0.0000 . 1 . . . . . 166 ALA CA . 52720 2 593 . 1 . 1 166 166 ALA CB C 13 21.4624 0.0000 . 1 . . . . . 166 ALA CB . 52720 2 594 . 1 . 1 166 166 ALA N N 15 121.5291 0.0000 . 1 . . . . . 166 ALA N . 52720 2 595 . 1 . 1 167 167 ILE H H 1 8.1208 0.0000 . 1 . . . . . 167 ILE H . 52720 2 596 . 1 . 1 167 167 ILE CA C 13 65.1351 0.0000 . 1 . . . . . 167 ILE CA . 52720 2 597 . 1 . 1 167 167 ILE CB C 13 37.8738 0.0000 . 1 . . . . . 167 ILE CB . 52720 2 598 . 1 . 1 167 167 ILE N N 15 117.3696 0.0000 . 1 . . . . . 167 ILE N . 52720 2 599 . 1 . 1 168 168 ALA H H 1 8.7162 0.0000 . 1 . . . . . 168 ALA H . 52720 2 600 . 1 . 1 168 168 ALA CA C 13 54.9146 0.0000 . 1 . . . . . 168 ALA CA . 52720 2 601 . 1 . 1 168 168 ALA CB C 13 17.3556 0.0000 . 1 . . . . . 168 ALA CB . 52720 2 602 . 1 . 1 168 168 ALA N N 15 120.7087 0.0000 . 1 . . . . . 168 ALA N . 52720 2 603 . 1 . 1 169 169 LYS H H 1 7.6346 0.0000 . 1 . . . . . 169 LYS H . 52720 2 604 . 1 . 1 169 169 LYS CA C 13 58.861 0.0000 . 1 . . . . . 169 LYS CA . 52720 2 605 . 1 . 1 169 169 LYS CB C 13 32.2515 0.0000 . 1 . . . . . 169 LYS CB . 52720 2 606 . 1 . 1 169 169 LYS N N 15 115.557 0.0000 . 1 . . . . . 169 LYS N . 52720 2 607 . 1 . 1 170 170 LEU H H 1 7.7177 0.0000 . 1 . . . . . 170 LEU H . 52720 2 608 . 1 . 1 170 170 LEU CA C 13 54.403 0.0000 . 1 . . . . . 170 LEU CA . 52720 2 609 . 1 . 1 170 170 LEU CB C 13 41.087 0.0000 . 1 . . . . . 170 LEU CB . 52720 2 610 . 1 . 1 170 170 LEU N N 15 119.576 0.0000 . 1 . . . . . 170 LEU N . 52720 2 611 . 1 . 1 171 171 LEU CA C 13 54.431 0.0000 . 1 . . . . . 171 LEU CA . 52720 2 612 . 1 . 1 171 171 LEU CB C 13 41.147 0.0000 . 1 . . . . . 171 LEU CB . 52720 2 613 . 1 . 1 173 173 PHE CA C 13 56.5714 0.0000 . 1 . . . . . 173 PHE CA . 52720 2 614 . 1 . 1 173 173 PHE CB C 13 43.9554 0.0000 . 1 . . . . . 173 PHE CB . 52720 2 615 . 1 . 1 174 174 ALA H H 1 9.1331 0.0000 . 1 . . . . . 174 ALA H . 52720 2 616 . 1 . 1 174 174 ALA CA C 13 50.8926 0.0000 . 1 . . . . . 174 ALA CA . 52720 2 617 . 1 . 1 174 174 ALA CB C 13 18.4813 0.0000 . 1 . . . . . 174 ALA CB . 52720 2 618 . 1 . 1 174 174 ALA N N 15 123.7612 0.0000 . 1 . . . . . 174 ALA N . 52720 2 619 . 1 . 1 175 175 SER H H 1 8.7178 0.0000 . 1 . . . . . 175 SER H . 52720 2 620 . 1 . 1 175 175 SER CA C 13 58.6474 0.0000 . 1 . . . . . 175 SER CA . 52720 2 621 . 1 . 1 175 175 SER CB C 13 68.3319 0.0000 . 1 . . . . . 175 SER CB . 52720 2 622 . 1 . 1 175 175 SER N N 15 114.2571 0.0000 . 1 . . . . . 175 SER N . 52720 2 623 . 1 . 1 176 176 THR H H 1 8.4453 0.0000 . 1 . . . . . 176 THR H . 52720 2 624 . 1 . 1 176 176 THR CA C 13 63.429 0.0000 . 1 . . . . . 176 THR CA . 52720 2 625 . 1 . 1 176 176 THR CB C 13 69.0356 0.0000 . 1 . . . . . 176 THR CB . 52720 2 626 . 1 . 1 176 176 THR N N 15 110.5194 0.0000 . 1 . . . . . 176 THR N . 52720 2 627 . 1 . 1 177 177 HIS H H 1 8.9068 0.0000 . 1 . . . . . 177 HIS H . 52720 2 628 . 1 . 1 177 177 HIS CA C 13 59.2413 0.0000 . 1 . . . . . 177 HIS CA . 52720 2 629 . 1 . 1 177 177 HIS CB C 13 31.0233 0.0000 . 1 . . . . . 177 HIS CB . 52720 2 630 . 1 . 1 177 177 HIS N N 15 123.2438 0.0000 . 1 . . . . . 177 HIS N . 52720 2 631 . 1 . 1 178 178 THR H H 1 7.3928 0.0000 . 1 . . . . . 178 THR H . 52720 2 632 . 1 . 1 178 178 THR CA C 13 60.4516 0.0000 . 1 . . . . . 178 THR CA . 52720 2 633 . 1 . 1 178 178 THR CB C 13 69.9091 0.0000 . 1 . . . . . 178 THR CB . 52720 2 634 . 1 . 1 178 178 THR N N 15 107.3783 0.0000 . 1 . . . . . 178 THR N . 52720 2 635 . 1 . 1 179 179 ASP H H 1 7.9698 0.0000 . 1 . . . . . 179 ASP H . 52720 2 636 . 1 . 1 179 179 ASP CA C 13 53.8924 0.0000 . 1 . . . . . 179 ASP CA . 52720 2 637 . 1 . 1 179 179 ASP CB C 13 39.6938 0.0000 . 1 . . . . . 179 ASP CB . 52720 2 638 . 1 . 1 179 179 ASP N N 15 120.512 0.0000 . 1 . . . . . 179 ASP N . 52720 2 639 . 1 . 1 180 180 SER H H 1 7.862 0.0000 . 1 . . . . . 180 SER H . 52720 2 640 . 1 . 1 180 180 SER CA C 13 56.3049 0.0000 . 1 . . . . . 180 SER CA . 52720 2 641 . 1 . 1 180 180 SER CB C 13 65.1452 0.0000 . 1 . . . . . 180 SER CB . 52720 2 642 . 1 . 1 180 180 SER N N 15 115.525 0.0000 . 1 . . . . . 180 SER N . 52720 2 643 . 1 . 1 181 181 SER H H 1 7.8334 0.0000 . 1 . . . . . 181 SER H . 52720 2 644 . 1 . 1 181 181 SER CA C 13 58.3246 0.0000 . 1 . . . . . 181 SER CA . 52720 2 645 . 1 . 1 181 181 SER CB C 13 62.7129 0.0000 . 1 . . . . . 181 SER CB . 52720 2 646 . 1 . 1 181 181 SER N N 15 115.4734 0.0000 . 1 . . . . . 181 SER N . 52720 2 647 . 1 . 1 182 182 ALA H H 1 7.9029 0.0000 . 1 . . . . . 182 ALA H . 52720 2 648 . 1 . 1 182 182 ALA CA C 13 52.5885 0.0000 . 1 . . . . . 182 ALA CA . 52720 2 649 . 1 . 1 182 182 ALA CB C 13 17.9127 0.0000 . 1 . . . . . 182 ALA CB . 52720 2 650 . 1 . 1 182 182 ALA N N 15 126.8286 0.0000 . 1 . . . . . 182 ALA N . 52720 2 651 . 1 . 1 183 183 GLN H H 1 8.7626 0.0000 . 1 . . . . . 183 GLN H . 52720 2 652 . 1 . 1 183 183 GLN CA C 13 53.6031 0.0000 . 1 . . . . . 183 GLN CA . 52720 2 653 . 1 . 1 183 183 GLN CB C 13 24.5942 0.0000 . 1 . . . . . 183 GLN CB . 52720 2 654 . 1 . 1 183 183 GLN N N 15 125.2253 0.0000 . 1 . . . . . 183 GLN N . 52720 2 655 . 1 . 1 184 184 THR H H 1 6.9345 0.0000 . 1 . . . . . 184 THR H . 52720 2 656 . 1 . 1 184 184 THR CA C 13 60.1709 0.0000 . 1 . . . . . 184 THR CA . 52720 2 657 . 1 . 1 184 184 THR CB C 13 69.9217 0.0000 . 1 . . . . . 184 THR CB . 52720 2 658 . 1 . 1 184 184 THR N N 15 109.0994 0.0000 . 1 . . . . . 184 THR N . 52720 2 659 . 1 . 1 185 185 VAL H H 1 9.3232 0.0000 . 1 . . . . . 185 VAL H . 52720 2 660 . 1 . 1 185 185 VAL CA C 13 63.1874 0.0000 . 1 . . . . . 185 VAL CA . 52720 2 661 . 1 . 1 185 185 VAL CB C 13 31.6853 0.0000 . 1 . . . . . 185 VAL CB . 52720 2 662 . 1 . 1 185 185 VAL N N 15 126.6963 0.0000 . 1 . . . . . 185 VAL N . 52720 2 663 . 1 . 1 186 186 SER H H 1 8.4171 0.0000 . 1 . . . . . 186 SER H . 52720 2 664 . 1 . 1 186 186 SER CA C 13 54.8348 0.0000 . 1 . . . . . 186 SER CA . 52720 2 665 . 1 . 1 186 186 SER CB C 13 65.576 0.0000 . 1 . . . . . 186 SER CB . 52720 2 666 . 1 . 1 186 186 SER N N 15 123.7231 0.0000 . 1 . . . . . 186 SER N . 52720 2 667 . 1 . 1 187 187 LEU H H 1 9.7992 0.0000 . 1 . . . . . 187 LEU H . 52720 2 668 . 1 . 1 187 187 LEU CA C 13 57.3855 0.0000 . 1 . . . . . 187 LEU CA . 52720 2 669 . 1 . 1 187 187 LEU CB C 13 37.7692 0.0000 . 1 . . . . . 187 LEU CB . 52720 2 670 . 1 . 1 187 187 LEU N N 15 123.0846 0.0000 . 1 . . . . . 187 LEU N . 52720 2 671 . 1 . 1 188 188 GLU H H 1 8.6877 0.0000 . 1 . . . . . 188 GLU H . 52720 2 672 . 1 . 1 188 188 GLU CA C 13 59.8403 0.0000 . 1 . . . . . 188 GLU CA . 52720 2 673 . 1 . 1 188 188 GLU CB C 13 29.0929 0.0000 . 1 . . . . . 188 GLU CB . 52720 2 674 . 1 . 1 188 188 GLU N N 15 119.5372 0.0000 . 1 . . . . . 188 GLU N . 52720 2 675 . 1 . 1 189 189 ASP H H 1 8.1292 0.0000 . 1 . . . . . 189 ASP H . 52720 2 676 . 1 . 1 189 189 ASP CA C 13 56.7305 0.0000 . 1 . . . . . 189 ASP CA . 52720 2 677 . 1 . 1 189 189 ASP CB C 13 39.3039 0.0000 . 1 . . . . . 189 ASP CB . 52720 2 678 . 1 . 1 189 189 ASP N N 15 122.7779 0.0000 . 1 . . . . . 189 ASP N . 52720 2 679 . 1 . 1 191 191 VAL CA C 13 66.1211 0.0000 . 1 . . . . . 191 VAL CA . 52720 2 680 . 1 . 1 191 191 VAL CB C 13 30.7646 0.0000 . 1 . . . . . 191 VAL CB . 52720 2 681 . 1 . 1 192 192 SER H H 1 7.896 0.0000 . 1 . . . . . 192 SER H . 52720 2 682 . 1 . 1 192 192 SER CA C 13 60.8531 0.0000 . 1 . . . . . 192 SER CA . 52720 2 683 . 1 . 1 192 192 SER CB C 13 62.8991 0.0000 . 1 . . . . . 192 SER CB . 52720 2 684 . 1 . 1 192 192 SER N N 15 116.7951 0.0000 . 1 . . . . . 192 SER N . 52720 2 685 . 1 . 1 193 193 ARG H H 1 7.0757 0.0000 . 1 . . . . . 193 ARG H . 52720 2 686 . 1 . 1 193 193 ARG CA C 13 55.8478 0.0000 . 1 . . . . . 193 ARG CA . 52720 2 687 . 1 . 1 193 193 ARG CB C 13 31.8602 0.0000 . 1 . . . . . 193 ARG CB . 52720 2 688 . 1 . 1 193 193 ARG N N 15 120.2383 0.0000 . 1 . . . . . 193 ARG N . 52720 2 689 . 1 . 1 194 194 MET H H 1 7.1552 0.0000 . 1 . . . . . 194 MET H . 52720 2 690 . 1 . 1 194 194 MET CA C 13 57.7669 0.0000 . 1 . . . . . 194 MET CA . 52720 2 691 . 1 . 1 194 194 MET CB C 13 33.2974 0.0000 . 1 . . . . . 194 MET CB . 52720 2 692 . 1 . 1 194 194 MET N N 15 120.2992 0.0000 . 1 . . . . . 194 MET N . 52720 2 693 . 1 . 1 195 195 LYS H H 1 7.5989 0.0000 . 1 . . . . . 195 LYS H . 52720 2 694 . 1 . 1 195 195 LYS CA C 13 54.0256 0.0000 . 1 . . . . . 195 LYS CA . 52720 2 695 . 1 . 1 195 195 LYS CB C 13 32.4027 0.0000 . 1 . . . . . 195 LYS CB . 52720 2 696 . 1 . 1 195 195 LYS N N 15 120.7365 0.0000 . 1 . . . . . 195 LYS N . 52720 2 697 . 1 . 1 196 196 GLU H H 1 8.7078 0.0000 . 1 . . . . . 196 GLU H . 52720 2 698 . 1 . 1 196 196 GLU CA C 13 58.1313 0.0000 . 1 . . . . . 196 GLU CA . 52720 2 699 . 1 . 1 196 196 GLU CB C 13 28.0677 0.0000 . 1 . . . . . 196 GLU CB . 52720 2 700 . 1 . 1 196 196 GLU N N 15 124.3638 0.0000 . 1 . . . . . 196 GLU N . 52720 2 701 . 1 . 1 197 197 GLY H H 1 8.8491 0.0000 . 1 . . . . . 197 GLY H . 52720 2 702 . 1 . 1 197 197 GLY CA C 13 44.6255 0.0000 . 1 . . . . . 197 GLY CA . 52720 2 703 . 1 . 1 197 197 GLY N N 15 115.4821 0.0000 . 1 . . . . . 197 GLY N . 52720 2 704 . 1 . 1 198 198 GLN H H 1 8.0968 0.0000 . 1 . . . . . 198 GLN H . 52720 2 705 . 1 . 1 198 198 GLN CA C 13 56.088 0.0000 . 1 . . . . . 198 GLN CA . 52720 2 706 . 1 . 1 198 198 GLN CB C 13 27.8502 0.0000 . 1 . . . . . 198 GLN CB . 52720 2 707 . 1 . 1 198 198 GLN N N 15 122.7755 0.0000 . 1 . . . . . 198 GLN N . 52720 2 708 . 1 . 1 199 199 GLU CA C 13 60.8855 0.0000 . 1 . . . . . 199 GLU CA . 52720 2 709 . 1 . 1 199 199 GLU CB C 13 31.3543 0.0000 . 1 . . . . . 199 GLU CB . 52720 2 710 . 1 . 1 200 200 LYS H H 1 8.3739 0.0000 . 1 . . . . . 200 LYS H . 52720 2 711 . 1 . 1 200 200 LYS CA C 13 58.736 0.0000 . 1 . . . . . 200 LYS CA . 52720 2 712 . 1 . 1 200 200 LYS CB C 13 28.6014 0.0000 . 1 . . . . . 200 LYS CB . 52720 2 713 . 1 . 1 200 200 LYS N N 15 119.1427 0.0000 . 1 . . . . . 200 LYS N . 52720 2 714 . 1 . 1 201 201 ILE H H 1 8.0361 0.0000 . 1 . . . . . 201 ILE H . 52720 2 715 . 1 . 1 201 201 ILE CA C 13 61.3872 0.0000 . 1 . . . . . 201 ILE CA . 52720 2 716 . 1 . 1 201 201 ILE CB C 13 38.4663 0.0000 . 1 . . . . . 201 ILE CB . 52720 2 717 . 1 . 1 201 201 ILE N N 15 120.8005 0.0000 . 1 . . . . . 201 ILE N . 52720 2 718 . 1 . 1 202 202 TYR H H 1 7.4877 0.0000 . 1 . . . . . 202 TYR H . 52720 2 719 . 1 . 1 202 202 TYR CA C 13 58.147 0.0000 . 1 . . . . . 202 TYR CA . 52720 2 720 . 1 . 1 202 202 TYR CB C 13 40.04 0.0000 . 1 . . . . . 202 TYR CB . 52720 2 721 . 1 . 1 202 202 TYR N N 15 126.4739 0.0000 . 1 . . . . . 202 TYR N . 52720 2 722 . 1 . 1 203 203 TYR H H 1 8.3194 0.0000 . 1 . . . . . 203 TYR H . 52720 2 723 . 1 . 1 203 203 TYR CA C 13 55.192 0.0000 . 1 . . . . . 203 TYR CA . 52720 2 724 . 1 . 1 203 203 TYR CB C 13 42.332 0.0000 . 1 . . . . . 203 TYR CB . 52720 2 725 . 1 . 1 203 203 TYR N N 15 117.3651 0.0000 . 1 . . . . . 203 TYR N . 52720 2 726 . 1 . 1 204 204 ILE CA C 13 58.5765 0.0000 . 1 . . . . . 204 ILE CA . 52720 2 727 . 1 . 1 204 204 ILE CB C 13 42.058 0.0000 . 1 . . . . . 204 ILE CB . 52720 2 728 . 1 . 1 205 205 THR H H 1 7.8754 0.0000 . 1 . . . . . 205 THR H . 52720 2 729 . 1 . 1 205 205 THR CA C 13 58.5813 0.0000 . 1 . . . . . 205 THR CA . 52720 2 730 . 1 . 1 205 205 THR CB C 13 69.5326 0.0000 . 1 . . . . . 205 THR CB . 52720 2 731 . 1 . 1 205 205 THR N N 15 116.4106 0.0000 . 1 . . . . . 205 THR N . 52720 2 732 . 1 . 1 206 206 ALA H H 1 8.4233 0.0000 . 1 . . . . . 206 ALA H . 52720 2 733 . 1 . 1 206 206 ALA CA C 13 50.3883 0.0000 . 1 . . . . . 206 ALA CA . 52720 2 734 . 1 . 1 206 206 ALA CB C 13 22.0817 0.0000 . 1 . . . . . 206 ALA CB . 52720 2 735 . 1 . 1 206 206 ALA N N 15 123.6407 0.0000 . 1 . . . . . 206 ALA N . 52720 2 736 . 1 . 1 207 207 ASP H H 1 8.3798 0.0000 . 1 . . . . . 207 ASP H . 52720 2 737 . 1 . 1 207 207 ASP CA C 13 54.79 0.0000 . 1 . . . . . 207 ASP CA . 52720 2 738 . 1 . 1 207 207 ASP CB C 13 40.4954 0.0000 . 1 . . . . . 207 ASP CB . 52720 2 739 . 1 . 1 207 207 ASP N N 15 115.7657 0.0000 . 1 . . . . . 207 ASP N . 52720 2 740 . 1 . 1 208 208 SER H H 1 7.311 0.0000 . 1 . . . . . 208 SER H . 52720 2 741 . 1 . 1 208 208 SER CA C 13 56.8742 0.0000 . 1 . . . . . 208 SER CA . 52720 2 742 . 1 . 1 208 208 SER CB C 13 65.7397 0.0000 . 1 . . . . . 208 SER CB . 52720 2 743 . 1 . 1 208 208 SER N N 15 108.4676 0.0000 . 1 . . . . . 208 SER N . 52720 2 744 . 1 . 1 209 209 TYR H H 1 9.2508 0.0000 . 1 . . . . . 209 TYR H . 52720 2 745 . 1 . 1 209 209 TYR CA C 13 61.3672 0.0000 . 1 . . . . . 209 TYR CA . 52720 2 746 . 1 . 1 209 209 TYR CB C 13 36.9311 0.0000 . 1 . . . . . 209 TYR CB . 52720 2 747 . 1 . 1 209 209 TYR N N 15 125.3364 0.0000 . 1 . . . . . 209 TYR N . 52720 2 748 . 1 . 1 210 210 ALA H H 1 8.5146 0.0000 . 1 . . . . . 210 ALA H . 52720 2 749 . 1 . 1 210 210 ALA CA C 13 54.6351 0.0000 . 1 . . . . . 210 ALA CA . 52720 2 750 . 1 . 1 210 210 ALA CB C 13 17.2192 0.0000 . 1 . . . . . 210 ALA CB . 52720 2 751 . 1 . 1 210 210 ALA N N 15 120.4881 0.0000 . 1 . . . . . 210 ALA N . 52720 2 752 . 1 . 1 211 211 ALA H H 1 7.8281 0.0000 . 1 . . . . . 211 ALA H . 52720 2 753 . 1 . 1 211 211 ALA CA C 13 53.9114 0.0000 . 1 . . . . . 211 ALA CA . 52720 2 754 . 1 . 1 211 211 ALA CB C 13 17.7676 0.0000 . 1 . . . . . 211 ALA CB . 52720 2 755 . 1 . 1 211 211 ALA N N 15 120.465 0.0000 . 1 . . . . . 211 ALA N . 52720 2 756 . 1 . 1 212 212 ALA H H 1 7.718 0.0000 . 1 . . . . . 212 ALA H . 52720 2 757 . 1 . 1 212 212 ALA CA C 13 54.5084 0.0000 . 1 . . . . . 212 ALA CA . 52720 2 758 . 1 . 1 212 212 ALA CB C 13 17.0717 0.0000 . 1 . . . . . 212 ALA CB . 52720 2 759 . 1 . 1 212 212 ALA N N 15 122.1282 0.0000 . 1 . . . . . 212 ALA N . 52720 2 760 . 1 . 1 213 213 LYS H H 1 7.8888 0.0000 . 1 . . . . . 213 LYS H . 52720 2 761 . 1 . 1 213 213 LYS CA C 13 57.5209 0.0000 . 1 . . . . . 213 LYS CA . 52720 2 762 . 1 . 1 213 213 LYS CB C 13 30.548 0.0000 . 1 . . . . . 213 LYS CB . 52720 2 763 . 1 . 1 213 213 LYS N N 15 113.1125 0.0000 . 1 . . . . . 213 LYS N . 52720 2 764 . 1 . 1 214 214 SER H H 1 7.1595 0.0000 . 1 . . . . . 214 SER H . 52720 2 765 . 1 . 1 214 214 SER CA C 13 57.4701 0.0000 . 1 . . . . . 214 SER CA . 52720 2 766 . 1 . 1 214 214 SER CB C 13 63.8709 0.0000 . 1 . . . . . 214 SER CB . 52720 2 767 . 1 . 1 214 214 SER N N 15 112.7533 0.0000 . 1 . . . . . 214 SER N . 52720 2 768 . 1 . 1 215 215 SER H H 1 6.9105 0.0000 . 1 . . . . . 215 SER H . 52720 2 769 . 1 . 1 215 215 SER CA C 13 56.0196 0.0000 . 1 . . . . . 215 SER CA . 52720 2 770 . 1 . 1 215 215 SER CB C 13 63.967 0.0000 . 1 . . . . . 215 SER CB . 52720 2 771 . 1 . 1 215 215 SER N N 15 117.6388 0.0000 . 1 . . . . . 215 SER N . 52720 2 772 . 1 . 1 217 217 HIS H H 1 7.7364 0.0000 . 1 . . . . . 217 HIS H . 52720 2 773 . 1 . 1 217 217 HIS CA C 13 57.3238 0.0000 . 1 . . . . . 217 HIS CA . 52720 2 774 . 1 . 1 217 217 HIS CB C 13 29.6574 0.0000 . 1 . . . . . 217 HIS CB . 52720 2 775 . 1 . 1 217 217 HIS N N 15 116.8254 0.0000 . 1 . . . . . 217 HIS N . 52720 2 776 . 1 . 1 218 218 LEU H H 1 7.3538 0.0000 . 1 . . . . . 218 LEU H . 52720 2 777 . 1 . 1 218 218 LEU CA C 13 55.9104 0.0000 . 1 . . . . . 218 LEU CA . 52720 2 778 . 1 . 1 218 218 LEU CB C 13 40.8954 0.0000 . 1 . . . . . 218 LEU CB . 52720 2 779 . 1 . 1 218 218 LEU N N 15 115.451 0.0000 . 1 . . . . . 218 LEU N . 52720 2 780 . 1 . 1 219 219 GLU H H 1 7.2696 0.0000 . 1 . . . . . 219 GLU H . 52720 2 781 . 1 . 1 219 219 GLU CA C 13 59.7966 0.0000 . 1 . . . . . 219 GLU CA . 52720 2 782 . 1 . 1 219 219 GLU CB C 13 28.5366 0.0000 . 1 . . . . . 219 GLU CB . 52720 2 783 . 1 . 1 219 219 GLU N N 15 120.2298 0.0000 . 1 . . . . . 219 GLU N . 52720 2 784 . 1 . 1 220 220 LEU H H 1 8.0692 0.0000 . 1 . . . . . 220 LEU H . 52720 2 785 . 1 . 1 220 220 LEU CA C 13 57.4303 0.0000 . 1 . . . . . 220 LEU CA . 52720 2 786 . 1 . 1 220 220 LEU CB C 13 40.4533 0.0000 . 1 . . . . . 220 LEU CB . 52720 2 787 . 1 . 1 220 220 LEU N N 15 119.1041 0.0000 . 1 . . . . . 220 LEU N . 52720 2 788 . 1 . 1 221 221 LEU H H 1 6.8249 0.0000 . 1 . . . . . 221 LEU H . 52720 2 789 . 1 . 1 221 221 LEU CA C 13 57.1554 0.0000 . 1 . . . . . 221 LEU CA . 52720 2 790 . 1 . 1 221 221 LEU CB C 13 38.6777 0.0000 . 1 . . . . . 221 LEU CB . 52720 2 791 . 1 . 1 221 221 LEU N N 15 118.557 0.0000 . 1 . . . . . 221 LEU N . 52720 2 792 . 1 . 1 222 222 ARG H H 1 8.3422 0.0000 . 1 . . . . . 222 ARG H . 52720 2 793 . 1 . 1 222 222 ARG CA C 13 59.137 0.0000 . 1 . . . . . 222 ARG CA . 52720 2 794 . 1 . 1 222 222 ARG CB C 13 28.9036 0.0000 . 1 . . . . . 222 ARG CB . 52720 2 795 . 1 . 1 222 222 ARG N N 15 120.4512 0.0000 . 1 . . . . . 222 ARG N . 52720 2 796 . 1 . 1 223 223 LYS H H 1 7.8943 0.0000 . 1 . . . . . 223 LYS H . 52720 2 797 . 1 . 1 223 223 LYS CA C 13 59.0405 0.0000 . 1 . . . . . 223 LYS CA . 52720 2 798 . 1 . 1 223 223 LYS CB C 13 31.1783 0.0000 . 1 . . . . . 223 LYS CB . 52720 2 799 . 1 . 1 223 223 LYS N N 15 120.5508 0.0000 . 1 . . . . . 223 LYS N . 52720 2 800 . 1 . 1 224 224 LYS H H 1 7.2208 0.0000 . 1 . . . . . 224 LYS H . 52720 2 801 . 1 . 1 224 224 LYS CA C 13 55.5587 0.0000 . 1 . . . . . 224 LYS CA . 52720 2 802 . 1 . 1 224 224 LYS CB C 13 32.4723 0.0000 . 1 . . . . . 224 LYS CB . 52720 2 803 . 1 . 1 224 224 LYS N N 15 116.7837 0.0000 . 1 . . . . . 224 LYS N . 52720 2 804 . 1 . 1 225 225 GLY H H 1 7.7572 0.0000 . 1 . . . . . 225 GLY H . 52720 2 805 . 1 . 1 225 225 GLY CA C 13 45.6457 0.0000 . 1 . . . . . 225 GLY CA . 52720 2 806 . 1 . 1 225 225 GLY N N 15 109.1374 0.0000 . 1 . . . . . 225 GLY N . 52720 2 807 . 1 . 1 226 226 ILE H H 1 7.6972 0.0000 . 1 . . . . . 226 ILE H . 52720 2 808 . 1 . 1 226 226 ILE CA C 13 59.7559 0.0000 . 1 . . . . . 226 ILE CA . 52720 2 809 . 1 . 1 226 226 ILE CB C 13 37.1669 0.0000 . 1 . . . . . 226 ILE CB . 52720 2 810 . 1 . 1 226 226 ILE N N 15 122.0316 0.0000 . 1 . . . . . 226 ILE N . 52720 2 811 . 1 . 1 227 227 GLU H H 1 9.0113 0.0000 . 1 . . . . . 227 GLU H . 52720 2 812 . 1 . 1 227 227 GLU CA C 13 55.7637 0.0000 . 1 . . . . . 227 GLU CA . 52720 2 813 . 1 . 1 227 227 GLU CB C 13 28.7518 0.0000 . 1 . . . . . 227 GLU CB . 52720 2 814 . 1 . 1 227 227 GLU N N 15 131.896 0.0000 . 1 . . . . . 227 GLU N . 52720 2 815 . 1 . 1 228 228 VAL H H 1 8.4276 0.0000 . 1 . . . . . 228 VAL H . 52720 2 816 . 1 . 1 228 228 VAL CA C 13 61.0112 0.0000 . 1 . . . . . 228 VAL CA . 52720 2 817 . 1 . 1 228 228 VAL CB C 13 34.4721 0.0000 . 1 . . . . . 228 VAL CB . 52720 2 818 . 1 . 1 228 228 VAL N N 15 128.1039 0.0000 . 1 . . . . . 228 VAL N . 52720 2 819 . 1 . 1 229 229 LEU H H 1 9.0368 0.0000 . 1 . . . . . 229 LEU H . 52720 2 820 . 1 . 1 229 229 LEU CA C 13 54.891 0.0000 . 1 . . . . . 229 LEU CA . 52720 2 821 . 1 . 1 229 229 LEU CB C 13 41.262 0.0000 . 1 . . . . . 229 LEU CB . 52720 2 822 . 1 . 1 229 229 LEU N N 15 126.9082 0.0000 . 1 . . . . . 229 LEU N . 52720 2 823 . 1 . 1 230 230 LEU H H 1 8.4256 0.0000 . 1 . . . . . 230 LEU H . 52720 2 824 . 1 . 1 230 230 LEU CA C 13 53.076 0.0000 . 1 . . . . . 230 LEU CA . 52720 2 825 . 1 . 1 230 230 LEU CB C 13 41.023 0.0000 . 1 . . . . . 230 LEU CB . 52720 2 826 . 1 . 1 230 230 LEU N N 15 124.4422 0.0000 . 1 . . . . . 230 LEU N . 52720 2 827 . 1 . 1 231 231 LEU H H 1 8.9856 0.0000 . 1 . . . . . 231 LEU H . 52720 2 828 . 1 . 1 231 231 LEU CA C 13 55.6509 0.0000 . 1 . . . . . 231 LEU CA . 52720 2 829 . 1 . 1 231 231 LEU CB C 13 39.5128 0.0000 . 1 . . . . . 231 LEU CB . 52720 2 830 . 1 . 1 231 231 LEU N N 15 131.0874 0.0000 . 1 . . . . . 231 LEU N . 52720 2 831 . 1 . 1 232 232 SER H H 1 8.2957 0.0000 . 1 . . . . . 232 SER H . 52720 2 832 . 1 . 1 232 232 SER CA C 13 57.0409 0.0000 . 1 . . . . . 232 SER CA . 52720 2 833 . 1 . 1 232 232 SER CB C 13 63.9288 0.0000 . 1 . . . . . 232 SER CB . 52720 2 834 . 1 . 1 232 232 SER N N 15 117.0828 0.0000 . 1 . . . . . 232 SER N . 52720 2 835 . 1 . 1 233 233 ASP H H 1 8.9435 0.0000 . 1 . . . . . 233 ASP H . 52720 2 836 . 1 . 1 233 233 ASP CA C 13 53.8409 0.0000 . 1 . . . . . 233 ASP CA . 52720 2 837 . 1 . 1 233 233 ASP CB C 13 42.317 0.0000 . 1 . . . . . 233 ASP CB . 52720 2 838 . 1 . 1 233 233 ASP N N 15 124.071 0.0000 . 1 . . . . . 233 ASP N . 52720 2 839 . 1 . 1 234 234 ARG CA C 13 59.2697 0.0000 . 1 . . . . . 234 ARG CA . 52720 2 840 . 1 . 1 234 234 ARG CB C 13 28.2931 0.0000 . 1 . . . . . 234 ARG CB . 52720 2 841 . 1 . 1 235 235 ILE H H 1 8.1612 0.0000 . 1 . . . . . 235 ILE H . 52720 2 842 . 1 . 1 235 235 ILE CA C 13 61.1061 0.0000 . 1 . . . . . 235 ILE CA . 52720 2 843 . 1 . 1 235 235 ILE CB C 13 38.5198 0.0000 . 1 . . . . . 235 ILE CB . 52720 2 844 . 1 . 1 235 235 ILE N N 15 116.2059 0.0000 . 1 . . . . . 235 ILE N . 52720 2 845 . 1 . 1 236 236 ASP H H 1 7.4979 0.0000 . 1 . . . . . 236 ASP H . 52720 2 846 . 1 . 1 236 236 ASP CA C 13 60.1422 0.0000 . 1 . . . . . 236 ASP CA . 52720 2 847 . 1 . 1 236 236 ASP CB C 13 37.3636 0.0000 . 1 . . . . . 236 ASP CB . 52720 2 848 . 1 . 1 236 236 ASP N N 15 122.9045 0.0000 . 1 . . . . . 236 ASP N . 52720 2 849 . 1 . 1 237 237 GLU H H 1 7.9107 0.0000 . 1 . . . . . 237 GLU H . 52720 2 850 . 1 . 1 237 237 GLU CA C 13 59.6908 0.0000 . 1 . . . . . 237 GLU CA . 52720 2 851 . 1 . 1 237 237 GLU CB C 13 28.5992 0.0000 . 1 . . . . . 237 GLU CB . 52720 2 852 . 1 . 1 237 237 GLU N N 15 117.6533 0.0000 . 1 . . . . . 237 GLU N . 52720 2 853 . 1 . 1 238 238 TRP CA C 13 59.7621 0.0000 . 1 . . . . . 238 TRP CA . 52720 2 854 . 1 . 1 238 238 TRP CB C 13 28.3833 0.0000 . 1 . . . . . 238 TRP CB . 52720 2 855 . 1 . 1 239 239 MET H H 1 8.7005 0.0000 . 1 . . . . . 239 MET H . 52720 2 856 . 1 . 1 239 239 MET CA C 13 59.6612 0.0000 . 1 . . . . . 239 MET CA . 52720 2 857 . 1 . 1 239 239 MET CB C 13 33.0727 0.0000 . 1 . . . . . 239 MET CB . 52720 2 858 . 1 . 1 239 239 MET N N 15 120.3003 0.0000 . 1 . . . . . 239 MET N . 52720 2 859 . 1 . 1 240 240 MET H H 1 7.7825 0.0000 . 1 . . . . . 240 MET H . 52720 2 860 . 1 . 1 240 240 MET CA C 13 54.4617 0.0000 . 1 . . . . . 240 MET CA . 52720 2 861 . 1 . 1 240 240 MET CB C 13 27.4672 0.0000 . 1 . . . . . 240 MET CB . 52720 2 862 . 1 . 1 240 240 MET N N 15 114.6078 0.0000 . 1 . . . . . 240 MET N . 52720 2 863 . 1 . 1 241 241 ASN H H 1 7.4895 0.0000 . 1 . . . . . 241 ASN H . 52720 2 864 . 1 . 1 241 241 ASN CA C 13 54.4952 0.0000 . 1 . . . . . 241 ASN CA . 52720 2 865 . 1 . 1 241 241 ASN CB C 13 37.7959 0.0000 . 1 . . . . . 241 ASN CB . 52720 2 866 . 1 . 1 241 241 ASN N N 15 116.8208 0.0000 . 1 . . . . . 241 ASN N . 52720 2 867 . 1 . 1 242 242 TYR H H 1 7.5365 0.0000 . 1 . . . . . 242 TYR H . 52720 2 868 . 1 . 1 242 242 TYR CA C 13 59.0521 0.0000 . 1 . . . . . 242 TYR CA . 52720 2 869 . 1 . 1 242 242 TYR CB C 13 39.2017 0.0000 . 1 . . . . . 242 TYR CB . 52720 2 870 . 1 . 1 242 242 TYR N N 15 116.9352 0.0000 . 1 . . . . . 242 TYR N . 52720 2 871 . 1 . 1 243 243 LEU H H 1 7.5016 0.0000 . 1 . . . . . 243 LEU H . 52720 2 872 . 1 . 1 243 243 LEU CA C 13 53.3608 0.0000 . 1 . . . . . 243 LEU CA . 52720 2 873 . 1 . 1 243 243 LEU CB C 13 40.4994 0.0000 . 1 . . . . . 243 LEU CB . 52720 2 874 . 1 . 1 243 243 LEU N N 15 123.8623 0.0000 . 1 . . . . . 243 LEU N . 52720 2 875 . 1 . 1 244 244 THR H H 1 8.2737 0.0000 . 1 . . . . . 244 THR H . 52720 2 876 . 1 . 1 244 244 THR CA C 13 62.5883 0.0000 . 1 . . . . . 244 THR CA . 52720 2 877 . 1 . 1 244 244 THR CB C 13 69.6394 0.0000 . 1 . . . . . 244 THR CB . 52720 2 878 . 1 . 1 244 244 THR N N 15 112.9586 0.0000 . 1 . . . . . 244 THR N . 52720 2 879 . 1 . 1 245 245 GLU H H 1 8.0249 0.0000 . 1 . . . . . 245 GLU H . 52720 2 880 . 1 . 1 245 245 GLU CA C 13 55.2079 0.0000 . 1 . . . . . 245 GLU CA . 52720 2 881 . 1 . 1 245 245 GLU CB C 13 32.4199 0.0000 . 1 . . . . . 245 GLU CB . 52720 2 882 . 1 . 1 245 245 GLU N N 15 122.0887 0.0000 . 1 . . . . . 245 GLU N . 52720 2 883 . 1 . 1 246 246 PHE H H 1 8.5153 0.0000 . 1 . . . . . 246 PHE H . 52720 2 884 . 1 . 1 246 246 PHE CA C 13 57.7393 0.0000 . 1 . . . . . 246 PHE CA . 52720 2 885 . 1 . 1 246 246 PHE CB C 13 41.5035 0.0000 . 1 . . . . . 246 PHE CB . 52720 2 886 . 1 . 1 246 246 PHE N N 15 120.4677 0.0000 . 1 . . . . . 246 PHE N . 52720 2 887 . 1 . 1 247 247 ASP H H 1 8.7907 0.0000 . 1 . . . . . 247 ASP H . 52720 2 888 . 1 . 1 247 247 ASP CA C 13 54.0776 0.0000 . 1 . . . . . 247 ASP CA . 52720 2 889 . 1 . 1 247 247 ASP CB C 13 39.8149 0.0000 . 1 . . . . . 247 ASP CB . 52720 2 890 . 1 . 1 247 247 ASP N N 15 130.2809 0.0000 . 1 . . . . . 247 ASP N . 52720 2 891 . 1 . 1 248 248 GLY H H 1 8.5082 0.0000 . 1 . . . . . 248 GLY H . 52720 2 892 . 1 . 1 248 248 GLY CA C 13 44.579 0.0000 . 1 . . . . . 248 GLY CA . 52720 2 893 . 1 . 1 248 248 GLY N N 15 103.2329 0.0000 . 1 . . . . . 248 GLY N . 52720 2 894 . 1 . 1 249 249 LYS H H 1 7.9822 0.0000 . 1 . . . . . 249 LYS H . 52720 2 895 . 1 . 1 249 249 LYS CA C 13 51.89 0.0000 . 1 . . . . . 249 LYS CA . 52720 2 896 . 1 . 1 249 249 LYS CB C 13 30.5286 0.0000 . 1 . . . . . 249 LYS CB . 52720 2 897 . 1 . 1 249 249 LYS N N 15 123.1752 0.0000 . 1 . . . . . 249 LYS N . 52720 2 898 . 1 . 1 251 251 PHE CA C 13 58.9685 0.0000 . 1 . . . . . 251 PHE CA . 52720 2 899 . 1 . 1 251 251 PHE CB C 13 43.1883 0.0000 . 1 . . . . . 251 PHE CB . 52720 2 900 . 1 . 1 252 252 GLN H H 1 7.8196 0.0000 . 1 . . . . . 252 GLN H . 52720 2 901 . 1 . 1 252 252 GLN CA C 13 53.8463 0.0000 . 1 . . . . . 252 GLN CA . 52720 2 902 . 1 . 1 252 252 GLN CB C 13 31.7974 0.0000 . 1 . . . . . 252 GLN CB . 52720 2 903 . 1 . 1 252 252 GLN N N 15 120.9115 0.0000 . 1 . . . . . 252 GLN N . 52720 2 904 . 1 . 1 253 253 SER H H 1 8.5738 0.0000 . 1 . . . . . 253 SER H . 52720 2 905 . 1 . 1 253 253 SER CA C 13 55.8708 0.0000 . 1 . . . . . 253 SER CA . 52720 2 906 . 1 . 1 253 253 SER CB C 13 62.9476 0.0000 . 1 . . . . . 253 SER CB . 52720 2 907 . 1 . 1 253 253 SER N N 15 123.6845 0.0000 . 1 . . . . . 253 SER N . 52720 2 908 . 1 . 1 254 254 VAL H H 1 8.6035 0.0000 . 1 . . . . . 254 VAL H . 52720 2 909 . 1 . 1 254 254 VAL CA C 13 62.9454 0.0000 . 1 . . . . . 254 VAL CA . 52720 2 910 . 1 . 1 254 254 VAL CB C 13 30.1228 0.0000 . 1 . . . . . 254 VAL CB . 52720 2 911 . 1 . 1 254 254 VAL N N 15 121.7856 0.0000 . 1 . . . . . 254 VAL N . 52720 2 912 . 1 . 1 255 255 SER H H 1 7.832 0.0000 . 1 . . . . . 255 SER H . 52720 2 913 . 1 . 1 255 255 SER CA C 13 58.3698 0.0000 . 1 . . . . . 255 SER CA . 52720 2 914 . 1 . 1 255 255 SER CB C 13 62.9323 0.0000 . 1 . . . . . 255 SER CB . 52720 2 915 . 1 . 1 255 255 SER N N 15 115.4451 0.0000 . 1 . . . . . 255 SER N . 52720 2 916 . 1 . 1 256 256 LYS H H 1 7.2531 0.0000 . 1 . . . . . 256 LYS H . 52720 2 917 . 1 . 1 256 256 LYS CA C 13 54.7532 0.0000 . 1 . . . . . 256 LYS CA . 52720 2 918 . 1 . 1 256 256 LYS CB C 13 32.3716 0.0000 . 1 . . . . . 256 LYS CB . 52720 2 919 . 1 . 1 256 256 LYS N N 15 122.1691 0.0000 . 1 . . . . . 256 LYS N . 52720 2 920 . 1 . 1 257 257 VAL H H 1 7.7125 0.0000 . 1 . . . . . 257 VAL H . 52720 2 921 . 1 . 1 257 257 VAL CA C 13 62.7204 0.0000 . 1 . . . . . 257 VAL CA . 52720 2 922 . 1 . 1 257 257 VAL CB C 13 31.8029 0.0000 . 1 . . . . . 257 VAL CB . 52720 2 923 . 1 . 1 257 257 VAL N N 15 121.6388 0.0000 . 1 . . . . . 257 VAL N . 52720 2 924 . 1 . 1 258 258 ASP H H 1 8.25 0.0000 . 1 . . . . . 258 ASP H . 52720 2 925 . 1 . 1 258 258 ASP CA C 13 53.599 0.0000 . 1 . . . . . 258 ASP CA . 52720 2 926 . 1 . 1 258 258 ASP CB C 13 41.0723 0.0000 . 1 . . . . . 258 ASP CB . 52720 2 927 . 1 . 1 258 258 ASP N N 15 125.5486 0.0000 . 1 . . . . . 258 ASP N . 52720 2 928 . 1 . 1 259 259 GLU H H 1 8.584 0.0000 . 1 . . . . . 259 GLU H . 52720 2 929 . 1 . 1 259 259 GLU CA C 13 57.4637 0.0000 . 1 . . . . . 259 GLU CA . 52720 2 930 . 1 . 1 259 259 GLU CB C 13 28.8906 0.0000 . 1 . . . . . 259 GLU CB . 52720 2 931 . 1 . 1 259 259 GLU N N 15 123.3687 0.0000 . 1 . . . . . 259 GLU N . 52720 2 932 . 1 . 1 260 260 SER H H 1 8.3199 0.0000 . 1 . . . . . 260 SER H . 52720 2 933 . 1 . 1 260 260 SER CA C 13 59.4718 0.0000 . 1 . . . . . 260 SER CA . 52720 2 934 . 1 . 1 260 260 SER CB C 13 63.2037 0.0000 . 1 . . . . . 260 SER CB . 52720 2 935 . 1 . 1 260 260 SER N N 15 116.7698 0.0000 . 1 . . . . . 260 SER N . 52720 2 936 . 1 . 1 261 261 LEU H H 1 7.81 0.0000 . 1 . . . . . 261 LEU H . 52720 2 937 . 1 . 1 261 261 LEU CA C 13 55.5097 0.0000 . 1 . . . . . 261 LEU CA . 52720 2 938 . 1 . 1 261 261 LEU CB C 13 41.114 0.0000 . 1 . . . . . 261 LEU CB . 52720 2 939 . 1 . 1 261 261 LEU N N 15 123.8242 0.0000 . 1 . . . . . 261 LEU N . 52720 2 940 . 1 . 1 262 262 GLU H H 1 7.9396 0.0000 . 1 . . . . . 262 GLU H . 52720 2 941 . 1 . 1 262 262 GLU CA C 13 56.9329 0.0000 . 1 . . . . . 262 GLU CA . 52720 2 942 . 1 . 1 262 262 GLU CB C 13 29.1576 0.0000 . 1 . . . . . 262 GLU CB . 52720 2 943 . 1 . 1 262 262 GLU N N 15 120.3145 0.0000 . 1 . . . . . 262 GLU N . 52720 2 944 . 1 . 1 263 263 LYS H H 1 7.8772 0.0000 . 1 . . . . . 263 LYS H . 52720 2 945 . 1 . 1 263 263 LYS CA C 13 56.0304 0.0000 . 1 . . . . . 263 LYS CA . 52720 2 946 . 1 . 1 263 263 LYS CB C 13 31.6857 0.0000 . 1 . . . . . 263 LYS CB . 52720 2 947 . 1 . 1 263 263 LYS N N 15 120.922 0.0000 . 1 . . . . . 263 LYS N . 52720 2 948 . 1 . 1 264 264 LEU H H 1 7.9073 0.0000 . 1 . . . . . 264 LEU H . 52720 2 949 . 1 . 1 264 264 LEU CA C 13 54.9227 0.0000 . 1 . . . . . 264 LEU CA . 52720 2 950 . 1 . 1 264 264 LEU CB C 13 41.2912 0.0000 . 1 . . . . . 264 LEU CB . 52720 2 951 . 1 . 1 264 264 LEU N N 15 123.4776 0.0000 . 1 . . . . . 264 LEU N . 52720 2 952 . 1 . 1 265 265 ALA H H 1 7.9898 0.0000 . 1 . . . . . 265 ALA H . 52720 2 953 . 1 . 1 265 265 ALA CA C 13 51.8696 0.0000 . 1 . . . . . 265 ALA CA . 52720 2 954 . 1 . 1 265 265 ALA CB C 13 18.7239 0.0000 . 1 . . . . . 265 ALA CB . 52720 2 955 . 1 . 1 265 265 ALA N N 15 124.9552 0.0000 . 1 . . . . . 265 ALA N . 52720 2 stop_ save_