################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16860 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D 1H-13C NOESY' . . . 16860 1 6 '3D HNCO' . . . 16860 1 19 '2D 1H-15N HSQC' . . . 16860 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 6 $SPARKY . . 16860 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.51 0.02 . 1 . . . . 2 PRO HA . 16860 1 2 . 1 1 1 1 PRO HB2 H 1 2.59 0.02 . 2 . . . . 2 PRO HB2 . 16860 1 3 . 1 1 1 1 PRO HB3 H 1 2.03 0.02 . 2 . . . . 2 PRO HB3 . 16860 1 4 . 1 1 1 1 PRO HD2 H 1 3.21 0.02 . 2 . . . . 2 PRO HD2 . 16860 1 5 . 1 1 1 1 PRO HD3 H 1 3.29 0.02 . 2 . . . . 2 PRO HD3 . 16860 1 6 . 1 1 1 1 PRO HG2 H 1 1.86 0.02 . 2 . . . . 2 PRO HG2 . 16860 1 7 . 1 1 1 1 PRO HG3 H 1 1.86 0.02 . 2 . . . . 2 PRO HG3 . 16860 1 8 . 1 1 1 1 PRO CA C 13 61.6 0.2 . 1 . . . . 2 PRO CA . 16860 1 9 . 1 1 1 1 PRO CB C 13 32.7 0.2 . 1 . . . . 2 PRO CB . 16860 1 10 . 1 1 1 1 PRO CD C 13 49.5 0.2 . 1 . . . . 2 PRO CD . 16860 1 11 . 1 1 1 1 PRO CG C 13 27.1 0.2 . 1 . . . . 2 PRO CG . 16860 1 12 . 1 1 2 2 THR HA H 1 4.17 0.02 . 1 . . . . 3 THR HA . 16860 1 13 . 1 1 2 2 THR HB H 1 4.43 0.02 . 1 . . . . 3 THR HB . 16860 1 14 . 1 1 2 2 THR HG21 H 1 1.26 0.02 . 1 . . . . 3 THR HG2 . 16860 1 15 . 1 1 2 2 THR HG22 H 1 1.26 0.02 . 1 . . . . 3 THR HG2 . 16860 1 16 . 1 1 2 2 THR HG23 H 1 1.26 0.02 . 1 . . . . 3 THR HG2 . 16860 1 17 . 1 1 2 2 THR C C 13 175.3 0.2 . 1 . . . . 3 THR C . 16860 1 18 . 1 1 2 2 THR CA C 13 63.7 0.2 . 1 . . . . 3 THR CA . 16860 1 19 . 1 1 2 2 THR CB C 13 69.1 0.2 . 1 . . . . 3 THR CB . 16860 1 20 . 1 1 2 2 THR CG2 C 13 22.1 0.2 . 1 . . . . 3 THR CG2 . 16860 1 21 . 1 1 3 3 LEU H H 1 8.86 0.02 . 1 . . . . 4 LEU H . 16860 1 22 . 1 1 3 3 LEU HA H 1 3.78 0.02 . 1 . . . . 4 LEU HA . 16860 1 23 . 1 1 3 3 LEU HB2 H 1 1.67 0.02 . 2 . . . . 4 LEU HB2 . 16860 1 24 . 1 1 3 3 LEU HB3 H 1 1.31 0.02 . 2 . . . . 4 LEU HB3 . 16860 1 25 . 1 1 3 3 LEU HD11 H 1 0.66 0.02 . 1 . . . . 4 LEU HD1 . 16860 1 26 . 1 1 3 3 LEU HD12 H 1 0.66 0.02 . 1 . . . . 4 LEU HD1 . 16860 1 27 . 1 1 3 3 LEU HD13 H 1 0.66 0.02 . 1 . . . . 4 LEU HD1 . 16860 1 28 . 1 1 3 3 LEU HD21 H 1 0.52 0.02 . 1 . . . . 4 LEU HD2 . 16860 1 29 . 1 1 3 3 LEU HD22 H 1 0.52 0.02 . 1 . . . . 4 LEU HD2 . 16860 1 30 . 1 1 3 3 LEU HD23 H 1 0.52 0.02 . 1 . . . . 4 LEU HD2 . 16860 1 31 . 1 1 3 3 LEU HG H 1 1.60 0.02 . 1 . . . . 4 LEU HG . 16860 1 32 . 1 1 3 3 LEU C C 13 179.6 0.2 . 1 . . . . 4 LEU C . 16860 1 33 . 1 1 3 3 LEU CA C 13 58.5 0.2 . 1 . . . . 4 LEU CA . 16860 1 34 . 1 1 3 3 LEU CB C 13 40.8 0.2 . 1 . . . . 4 LEU CB . 16860 1 35 . 1 1 3 3 LEU CD1 C 13 25.6 0.2 . 1 . . . . 4 LEU CD1 . 16860 1 36 . 1 1 3 3 LEU CD2 C 13 23.9 0.2 . 1 . . . . 4 LEU CD2 . 16860 1 37 . 1 1 3 3 LEU CG C 13 27.0 0.2 . 1 . . . . 4 LEU CG . 16860 1 38 . 1 1 3 3 LEU N N 15 120.1 0.2 . 1 . . . . 4 LEU N . 16860 1 39 . 1 1 4 4 ASP H H 1 7.98 0.02 . 1 . . . . 5 ASP H . 16860 1 40 . 1 1 4 4 ASP HA H 1 4.30 0.02 . 1 . . . . 5 ASP HA . 16860 1 41 . 1 1 4 4 ASP HB2 H 1 2.63 0.02 . 2 . . . . 5 ASP HB2 . 16860 1 42 . 1 1 4 4 ASP HB3 H 1 2.63 0.02 . 2 . . . . 5 ASP HB3 . 16860 1 43 . 1 1 4 4 ASP C C 13 178.4 0.2 . 1 . . . . 5 ASP C . 16860 1 44 . 1 1 4 4 ASP CA C 13 57.1 0.2 . 1 . . . . 5 ASP CA . 16860 1 45 . 1 1 4 4 ASP CB C 13 40.4 0.2 . 1 . . . . 5 ASP CB . 16860 1 46 . 1 1 4 4 ASP N N 15 117.6 0.2 . 1 . . . . 5 ASP N . 16860 1 47 . 1 1 5 5 ALA H H 1 7.75 0.02 . 1 . . . . 6 ALA H . 16860 1 48 . 1 1 5 5 ALA HA H 1 4.19 0.02 . 1 . . . . 6 ALA HA . 16860 1 49 . 1 1 5 5 ALA HB1 H 1 1.57 0.02 . 1 . . . . 6 ALA HB . 16860 1 50 . 1 1 5 5 ALA HB2 H 1 1.57 0.02 . 1 . . . . 6 ALA HB . 16860 1 51 . 1 1 5 5 ALA HB3 H 1 1.57 0.02 . 1 . . . . 6 ALA HB . 16860 1 52 . 1 1 5 5 ALA C C 13 179.7 0.2 . 1 . . . . 6 ALA C . 16860 1 53 . 1 1 5 5 ALA CA C 13 54.2 0.2 . 1 . . . . 6 ALA CA . 16860 1 54 . 1 1 5 5 ALA CB C 13 18.6 0.2 . 1 . . . . 6 ALA CB . 16860 1 55 . 1 1 5 5 ALA N N 15 122.7 0.2 . 1 . . . . 6 ALA N . 16860 1 56 . 1 1 6 6 LEU H H 1 7.65 0.02 . 1 . . . . 7 LEU H . 16860 1 57 . 1 1 6 6 LEU HA H 1 4.23 0.02 . 1 . . . . 7 LEU HA . 16860 1 58 . 1 1 6 6 LEU HB2 H 1 1.76 0.02 . 2 . . . . 7 LEU HB2 . 16860 1 59 . 1 1 6 6 LEU HB3 H 1 1.36 0.02 . 2 . . . . 7 LEU HB3 . 16860 1 60 . 1 1 6 6 LEU HD11 H 1 0.74 0.02 . 1 . . . . 7 LEU HD1 . 16860 1 61 . 1 1 6 6 LEU HD12 H 1 0.74 0.02 . 1 . . . . 7 LEU HD1 . 16860 1 62 . 1 1 6 6 LEU HD13 H 1 0.74 0.02 . 1 . . . . 7 LEU HD1 . 16860 1 63 . 1 1 6 6 LEU HD21 H 1 0.96 0.02 . 1 . . . . 7 LEU HD2 . 16860 1 64 . 1 1 6 6 LEU HD22 H 1 0.96 0.02 . 1 . . . . 7 LEU HD2 . 16860 1 65 . 1 1 6 6 LEU HD23 H 1 0.96 0.02 . 1 . . . . 7 LEU HD2 . 16860 1 66 . 1 1 6 6 LEU HG H 1 1.95 0.02 . 1 . . . . 7 LEU HG . 16860 1 67 . 1 1 6 6 LEU C C 13 178.7 0.2 . 1 . . . . 7 LEU C . 16860 1 68 . 1 1 6 6 LEU CA C 13 56.1 0.2 . 1 . . . . 7 LEU CA . 16860 1 69 . 1 1 6 6 LEU CB C 13 42.3 0.2 . 1 . . . . 7 LEU CB . 16860 1 70 . 1 1 6 6 LEU CD1 C 13 25.8 0.2 . 1 . . . . 7 LEU CD1 . 16860 1 71 . 1 1 6 6 LEU CD2 C 13 23.7 0.2 . 1 . . . . 7 LEU CD2 . 16860 1 72 . 1 1 6 6 LEU CG C 13 26.5 0.2 . 1 . . . . 7 LEU CG . 16860 1 73 . 1 1 6 6 LEU N N 15 114.0 0.2 . 1 . . . . 7 LEU N . 16860 1 74 . 1 1 7 7 THR H H 1 7.80 0.02 . 1 . . . . 8 THR H . 16860 1 75 . 1 1 7 7 THR HA H 1 4.51 0.02 . 1 . . . . 8 THR HA . 16860 1 76 . 1 1 7 7 THR HB H 1 3.75 0.02 . 1 . . . . 8 THR HB . 16860 1 77 . 1 1 7 7 THR HG1 H 1 5.48 0.02 . 1 . . . . 8 THR HG1 . 16860 1 78 . 1 1 7 7 THR HG21 H 1 1.15 0.02 . 1 . . . . 8 THR HG2 . 16860 1 79 . 1 1 7 7 THR HG22 H 1 1.15 0.02 . 1 . . . . 8 THR HG2 . 16860 1 80 . 1 1 7 7 THR HG23 H 1 1.15 0.02 . 1 . . . . 8 THR HG2 . 16860 1 81 . 1 1 7 7 THR CA C 13 66.8 0.2 . 1 . . . . 8 THR CA . 16860 1 82 . 1 1 7 7 THR CB C 13 70.4 0.2 . 1 . . . . 8 THR CB . 16860 1 83 . 1 1 7 7 THR CG2 C 13 21.2 0.2 . 1 . . . . 8 THR CG2 . 16860 1 84 . 1 1 7 7 THR N N 15 116.6 0.2 . 1 . . . . 8 THR N . 16860 1 85 . 1 1 8 8 PRO HA H 1 4.18 0.02 . 1 . . . . 9 PRO HA . 16860 1 86 . 1 1 8 8 PRO HB2 H 1 2.32 0.02 . 2 . . . . 9 PRO HB2 . 16860 1 87 . 1 1 8 8 PRO HB3 H 1 1.80 0.02 . 2 . . . . 9 PRO HB3 . 16860 1 88 . 1 1 8 8 PRO HD2 H 1 3.91 0.02 . 2 . . . . 9 PRO HD2 . 16860 1 89 . 1 1 8 8 PRO HD3 H 1 3.57 0.02 . 2 . . . . 9 PRO HD3 . 16860 1 90 . 1 1 8 8 PRO HG2 H 1 1.99 0.02 . 2 . . . . 9 PRO HG2 . 16860 1 91 . 1 1 8 8 PRO HG3 H 1 1.99 0.02 . 2 . . . . 9 PRO HG3 . 16860 1 92 . 1 1 8 8 PRO C C 13 178.9 0.2 . 1 . . . . 9 PRO C . 16860 1 93 . 1 1 8 8 PRO CA C 13 66.0 0.2 . 1 . . . . 9 PRO CA . 16860 1 94 . 1 1 8 8 PRO CB C 13 31.2 0.2 . 1 . . . . 9 PRO CB . 16860 1 95 . 1 1 8 8 PRO CD C 13 50.4 0.2 . 1 . . . . 9 PRO CD . 16860 1 96 . 1 1 8 8 PRO CG C 13 28.2 0.2 . 1 . . . . 9 PRO CG . 16860 1 97 . 1 1 9 9 ILE H H 1 6.75 0.02 . 1 . . . . 10 ILE H . 16860 1 98 . 1 1 9 9 ILE HA H 1 3.66 0.02 . 1 . . . . 10 ILE HA . 16860 1 99 . 1 1 9 9 ILE HB H 1 1.93 0.02 . 1 . . . . 10 ILE HB . 16860 1 100 . 1 1 9 9 ILE HD11 H 1 0.34 0.02 . 1 . . . . 10 ILE HD1 . 16860 1 101 . 1 1 9 9 ILE HD12 H 1 0.34 0.02 . 1 . . . . 10 ILE HD1 . 16860 1 102 . 1 1 9 9 ILE HD13 H 1 0.34 0.02 . 1 . . . . 10 ILE HD1 . 16860 1 103 . 1 1 9 9 ILE HG12 H 1 1.39 0.02 . 2 . . . . 10 ILE HG12 . 16860 1 104 . 1 1 9 9 ILE HG13 H 1 0.70 0.02 . 2 . . . . 10 ILE HG13 . 16860 1 105 . 1 1 9 9 ILE HG21 H 1 0.59 0.02 . 1 . . . . 10 ILE HG2 . 16860 1 106 . 1 1 9 9 ILE HG22 H 1 0.59 0.02 . 1 . . . . 10 ILE HG2 . 16860 1 107 . 1 1 9 9 ILE HG23 H 1 0.59 0.02 . 1 . . . . 10 ILE HG2 . 16860 1 108 . 1 1 9 9 ILE C C 13 177.6 0.2 . 1 . . . . 10 ILE C . 16860 1 109 . 1 1 9 9 ILE CA C 13 64.7 0.2 . 1 . . . . 10 ILE CA . 16860 1 110 . 1 1 9 9 ILE CB C 13 38.2 0.2 . 1 . . . . 10 ILE CB . 16860 1 111 . 1 1 9 9 ILE CD1 C 13 13.0 0.2 . 1 . . . . 10 ILE CD1 . 16860 1 112 . 1 1 9 9 ILE CG1 C 13 28.4 0.2 . 1 . . . . 10 ILE CG1 . 16860 1 113 . 1 1 9 9 ILE CG2 C 13 16.3 0.2 . 1 . . . . 10 ILE CG2 . 16860 1 114 . 1 1 9 9 ILE N N 15 117.1 0.2 . 1 . . . . 10 ILE N . 16860 1 115 . 1 1 10 10 PHE H H 1 8.06 0.02 . 1 . . . . 11 PHE H . 16860 1 116 . 1 1 10 10 PHE HA H 1 3.52 0.02 . 1 . . . . 11 PHE HA . 16860 1 117 . 1 1 10 10 PHE HB2 H 1 3.34 0.02 . 2 . . . . 11 PHE HB2 . 16860 1 118 . 1 1 10 10 PHE HB3 H 1 2.66 0.02 . 2 . . . . 11 PHE HB3 . 16860 1 119 . 1 1 10 10 PHE HD1 H 1 7.09 0.02 . 3 . . . . 11 PHE HD1 . 16860 1 120 . 1 1 10 10 PHE HD2 H 1 7.09 0.02 . 3 . . . . 11 PHE HD2 . 16860 1 121 . 1 1 10 10 PHE HE1 H 1 6.73 0.02 . 3 . . . . 11 PHE HE1 . 16860 1 122 . 1 1 10 10 PHE HE2 H 1 6.73 0.02 . 3 . . . . 11 PHE HE2 . 16860 1 123 . 1 1 10 10 PHE HZ H 1 6.86 0.02 . 1 . . . . 11 PHE HZ . 16860 1 124 . 1 1 10 10 PHE C C 13 177.5 0.2 . 1 . . . . 11 PHE C . 16860 1 125 . 1 1 10 10 PHE CA C 13 62.2 0.2 . 1 . . . . 11 PHE CA . 16860 1 126 . 1 1 10 10 PHE CB C 13 40.0 0.2 . 1 . . . . 11 PHE CB . 16860 1 127 . 1 1 10 10 PHE CD1 C 13 131.6 0.2 . 3 . . . . 11 PHE CD1 . 16860 1 128 . 1 1 10 10 PHE CD2 C 13 131.6 0.2 . 3 . . . . 11 PHE CD2 . 16860 1 129 . 1 1 10 10 PHE CE1 C 13 131.3 0.2 . 3 . . . . 11 PHE CE1 . 16860 1 130 . 1 1 10 10 PHE CE2 C 13 131.3 0.2 . 3 . . . . 11 PHE CE2 . 16860 1 131 . 1 1 10 10 PHE CZ C 13 129.9 0.2 . 1 . . . . 11 PHE CZ . 16860 1 132 . 1 1 10 10 PHE N N 15 119.8 0.2 . 1 . . . . 11 PHE N . 16860 1 133 . 1 1 11 11 ARG H H 1 8.34 0.02 . 1 . . . . 12 ARG H . 16860 1 134 . 1 1 11 11 ARG HA H 1 4.13 0.02 . 1 . . . . 12 ARG HA . 16860 1 135 . 1 1 11 11 ARG HB2 H 1 1.92 0.02 . 2 . . . . 12 ARG HB2 . 16860 1 136 . 1 1 11 11 ARG HB3 H 1 1.74 0.02 . 2 . . . . 12 ARG HB3 . 16860 1 137 . 1 1 11 11 ARG HD2 H 1 2.87 0.02 . 2 . . . . 12 ARG HD2 . 16860 1 138 . 1 1 11 11 ARG HD3 H 1 3.13 0.02 . 2 . . . . 12 ARG HD3 . 16860 1 139 . 1 1 11 11 ARG HE H 1 7.25 0.02 . 1 . . . . 12 ARG HE . 16860 1 140 . 1 1 11 11 ARG HG2 H 1 1.91 0.02 . 2 . . . . 12 ARG HG2 . 16860 1 141 . 1 1 11 11 ARG HG3 H 1 2.18 0.02 . 2 . . . . 12 ARG HG3 . 16860 1 142 . 1 1 11 11 ARG C C 13 179.0 0.2 . 1 . . . . 12 ARG C . 16860 1 143 . 1 1 11 11 ARG CA C 13 59.7 0.2 . 1 . . . . 12 ARG CA . 16860 1 144 . 1 1 11 11 ARG CB C 13 30.6 0.2 . 1 . . . . 12 ARG CB . 16860 1 145 . 1 1 11 11 ARG CD C 13 43.9 0.2 . 1 . . . . 12 ARG CD . 16860 1 146 . 1 1 11 11 ARG CG C 13 28.3 0.2 . 1 . . . . 12 ARG CG . 16860 1 147 . 1 1 11 11 ARG N N 15 115.2 0.2 . 1 . . . . 12 ARG N . 16860 1 148 . 1 1 11 11 ARG NE N 15 86.4 0.2 . 1 . . . . 12 ARG NE . 16860 1 149 . 1 1 12 12 GLN H H 1 7.53 0.02 . 1 . . . . 13 GLN H . 16860 1 150 . 1 1 12 12 GLN HA H 1 4.09 0.02 . 1 . . . . 13 GLN HA . 16860 1 151 . 1 1 12 12 GLN HB2 H 1 2.10 0.02 . 2 . . . . 13 GLN HB2 . 16860 1 152 . 1 1 12 12 GLN HB3 H 1 2.10 0.02 . 2 . . . . 13 GLN HB3 . 16860 1 153 . 1 1 12 12 GLN HE21 H 1 7.36 0.02 . 1 . . . . 13 GLN HE21 . 16860 1 154 . 1 1 12 12 GLN HE22 H 1 6.69 0.02 . 1 . . . . 13 GLN HE22 . 16860 1 155 . 1 1 12 12 GLN HG2 H 1 2.40 0.02 . 2 . . . . 13 GLN HG2 . 16860 1 156 . 1 1 12 12 GLN HG3 H 1 2.23 0.02 . 2 . . . . 13 GLN HG3 . 16860 1 157 . 1 1 12 12 GLN C C 13 178.8 0.2 . 1 . . . . 13 GLN C . 16860 1 158 . 1 1 12 12 GLN CA C 13 58.6 0.2 . 1 . . . . 13 GLN CA . 16860 1 159 . 1 1 12 12 GLN CB C 13 28.8 0.2 . 1 . . . . 13 GLN CB . 16860 1 160 . 1 1 12 12 GLN CD C 13 180.0 0.2 . 1 . . . . 13 GLN CD . 16860 1 161 . 1 1 12 12 GLN CG C 13 33.7 0.2 . 1 . . . . 13 GLN CG . 16860 1 162 . 1 1 12 12 GLN N N 15 117.9 0.2 . 1 . . . . 13 GLN N . 16860 1 163 . 1 1 12 12 GLN NE2 N 15 111.4 0.2 . 1 . . . . 13 GLN NE2 . 16860 1 164 . 1 1 13 13 VAL H H 1 8.38 0.02 . 1 . . . . 14 VAL H . 16860 1 165 . 1 1 13 13 VAL HA H 1 3.31 0.02 . 1 . . . . 14 VAL HA . 16860 1 166 . 1 1 13 13 VAL HB H 1 1.09 0.02 . 1 . . . . 14 VAL HB . 16860 1 167 . 1 1 13 13 VAL HG11 H 1 -0.16 0.02 . 1 . . . . 14 VAL HG1 . 16860 1 168 . 1 1 13 13 VAL HG12 H 1 -0.16 0.02 . 1 . . . . 14 VAL HG1 . 16860 1 169 . 1 1 13 13 VAL HG13 H 1 -0.16 0.02 . 1 . . . . 14 VAL HG1 . 16860 1 170 . 1 1 13 13 VAL HG21 H 1 0.59 0.02 . 1 . . . . 14 VAL HG2 . 16860 1 171 . 1 1 13 13 VAL HG22 H 1 0.59 0.02 . 1 . . . . 14 VAL HG2 . 16860 1 172 . 1 1 13 13 VAL HG23 H 1 0.59 0.02 . 1 . . . . 14 VAL HG2 . 16860 1 173 . 1 1 13 13 VAL C C 13 177.5 0.2 . 1 . . . . 14 VAL C . 16860 1 174 . 1 1 13 13 VAL CA C 13 66.0 0.2 . 1 . . . . 14 VAL CA . 16860 1 175 . 1 1 13 13 VAL CB C 13 31.5 0.2 . 1 . . . . 14 VAL CB . 16860 1 176 . 1 1 13 13 VAL CG1 C 13 20.2 0.2 . 1 . . . . 14 VAL CG1 . 16860 1 177 . 1 1 13 13 VAL CG2 C 13 23.2 0.2 . 1 . . . . 14 VAL CG2 . 16860 1 178 . 1 1 13 13 VAL N N 15 120.6 0.2 . 1 . . . . 14 VAL N . 16860 1 179 . 1 1 14 14 PHE H H 1 7.69 0.02 . 1 . . . . 15 PHE H . 16860 1 180 . 1 1 14 14 PHE HA H 1 4.64 0.02 . 1 . . . . 15 PHE HA . 16860 1 181 . 1 1 14 14 PHE HB2 H 1 3.29 0.02 . 2 . . . . 15 PHE HB2 . 16860 1 182 . 1 1 14 14 PHE HB3 H 1 2.69 0.02 . 2 . . . . 15 PHE HB3 . 16860 1 183 . 1 1 14 14 PHE HD1 H 1 7.03 0.02 . 3 . . . . 15 PHE HD1 . 16860 1 184 . 1 1 14 14 PHE HD2 H 1 7.03 0.02 . 3 . . . . 15 PHE HD2 . 16860 1 185 . 1 1 14 14 PHE HE1 H 1 6.59 0.02 . 3 . . . . 15 PHE HE1 . 16860 1 186 . 1 1 14 14 PHE HE2 H 1 6.59 0.02 . 3 . . . . 15 PHE HE2 . 16860 1 187 . 1 1 14 14 PHE HZ H 1 5.51 0.02 . 1 . . . . 15 PHE HZ . 16860 1 188 . 1 1 14 14 PHE C C 13 173.6 0.2 . 1 . . . . 15 PHE C . 16860 1 189 . 1 1 14 14 PHE CA C 13 56.9 0.2 . 1 . . . . 15 PHE CA . 16860 1 190 . 1 1 14 14 PHE CB C 13 37.3 0.2 . 1 . . . . 15 PHE CB . 16860 1 191 . 1 1 14 14 PHE CD1 C 13 130.0 0.2 . 3 . . . . 15 PHE CD1 . 16860 1 192 . 1 1 14 14 PHE CD2 C 13 130.0 0.2 . 3 . . . . 15 PHE CD2 . 16860 1 193 . 1 1 14 14 PHE CE1 C 13 130.1 0.2 . 3 . . . . 15 PHE CE1 . 16860 1 194 . 1 1 14 14 PHE CE2 C 13 130.1 0.2 . 3 . . . . 15 PHE CE2 . 16860 1 195 . 1 1 14 14 PHE CZ C 13 129.5 0.2 . 1 . . . . 15 PHE CZ . 16860 1 196 . 1 1 14 14 PHE N N 15 114.3 0.2 . 1 . . . . 15 PHE N . 16860 1 197 . 1 1 15 15 ASP H H 1 7.42 0.02 . 1 . . . . 16 ASP H . 16860 1 198 . 1 1 15 15 ASP HA H 1 4.24 0.02 . 1 . . . . 16 ASP HA . 16860 1 199 . 1 1 15 15 ASP HB2 H 1 3.10 0.02 . 2 . . . . 16 ASP HB2 . 16860 1 200 . 1 1 15 15 ASP HB3 H 1 2.28 0.02 . 2 . . . . 16 ASP HB3 . 16860 1 201 . 1 1 15 15 ASP C C 13 174.1 0.2 . 1 . . . . 16 ASP C . 16860 1 202 . 1 1 15 15 ASP CA C 13 54.5 0.2 . 1 . . . . 16 ASP CA . 16860 1 203 . 1 1 15 15 ASP CB C 13 39.6 0.2 . 1 . . . . 16 ASP CB . 16860 1 204 . 1 1 15 15 ASP N N 15 120.1 0.2 . 1 . . . . 16 ASP N . 16860 1 205 . 1 1 16 16 ASP H H 1 7.75 0.02 . 1 . . . . 17 ASP H . 16860 1 206 . 1 1 16 16 ASP HA H 1 4.76 0.02 . 1 . . . . 17 ASP HA . 16860 1 207 . 1 1 16 16 ASP HB2 H 1 2.68 0.02 . 2 . . . . 17 ASP HB2 . 16860 1 208 . 1 1 16 16 ASP HB3 H 1 2.52 0.02 . 2 . . . . 17 ASP HB3 . 16860 1 209 . 1 1 16 16 ASP C C 13 175.7 0.2 . 1 . . . . 17 ASP C . 16860 1 210 . 1 1 16 16 ASP CA C 13 53.5 0.2 . 1 . . . . 17 ASP CA . 16860 1 211 . 1 1 16 16 ASP CB C 13 41.6 0.2 . 1 . . . . 17 ASP CB . 16860 1 212 . 1 1 16 16 ASP N N 15 114.7 0.2 . 1 . . . . 17 ASP N . 16860 1 213 . 1 1 17 17 ASP H H 1 8.66 0.02 . 1 . . . . 18 ASP H . 16860 1 214 . 1 1 17 17 ASP HA H 1 4.34 0.02 . 1 . . . . 18 ASP HA . 16860 1 215 . 1 1 17 17 ASP HB2 H 1 2.68 0.02 . 2 . . . . 18 ASP HB2 . 16860 1 216 . 1 1 17 17 ASP HB3 H 1 2.68 0.02 . 2 . . . . 18 ASP HB3 . 16860 1 217 . 1 1 17 17 ASP C C 13 175.5 0.2 . 1 . . . . 18 ASP C . 16860 1 218 . 1 1 17 17 ASP CA C 13 55.2 0.2 . 1 . . . . 18 ASP CA . 16860 1 219 . 1 1 17 17 ASP CB C 13 40.5 0.2 . 1 . . . . 18 ASP CB . 16860 1 220 . 1 1 17 17 ASP N N 15 123.9 0.2 . 1 . . . . 18 ASP N . 16860 1 221 . 1 1 18 18 SER H H 1 8.79 0.02 . 1 . . . . 19 SER H . 16860 1 222 . 1 1 18 18 SER HA H 1 4.37 0.02 . 1 . . . . 19 SER HA . 16860 1 223 . 1 1 18 18 SER HB2 H 1 4.00 0.02 . 2 . . . . 19 SER HB2 . 16860 1 224 . 1 1 18 18 SER HB3 H 1 3.83 0.02 . 2 . . . . 19 SER HB3 . 16860 1 225 . 1 1 18 18 SER C C 13 175.6 0.2 . 1 . . . . 19 SER C . 16860 1 226 . 1 1 18 18 SER CA C 13 58.8 0.2 . 1 . . . . 19 SER CA . 16860 1 227 . 1 1 18 18 SER CB C 13 65.0 0.2 . 1 . . . . 19 SER CB . 16860 1 228 . 1 1 18 18 SER N N 15 113.5 0.2 . 1 . . . . 19 SER N . 16860 1 229 . 1 1 19 19 ILE H H 1 6.73 0.02 . 1 . . . . 20 ILE H . 16860 1 230 . 1 1 19 19 ILE HA H 1 3.69 0.02 . 1 . . . . 20 ILE HA . 16860 1 231 . 1 1 19 19 ILE HB H 1 1.57 0.02 . 1 . . . . 20 ILE HB . 16860 1 232 . 1 1 19 19 ILE HD11 H 1 1.13 0.02 . 1 . . . . 20 ILE HD1 . 16860 1 233 . 1 1 19 19 ILE HD12 H 1 1.13 0.02 . 1 . . . . 20 ILE HD1 . 16860 1 234 . 1 1 19 19 ILE HD13 H 1 1.13 0.02 . 1 . . . . 20 ILE HD1 . 16860 1 235 . 1 1 19 19 ILE HG12 H 1 1.72 0.02 . 2 . . . . 20 ILE HG12 . 16860 1 236 . 1 1 19 19 ILE HG13 H 1 1.13 0.02 . 2 . . . . 20 ILE HG13 . 16860 1 237 . 1 1 19 19 ILE HG21 H 1 0.78 0.02 . 1 . . . . 20 ILE HG2 . 16860 1 238 . 1 1 19 19 ILE HG22 H 1 0.78 0.02 . 1 . . . . 20 ILE HG2 . 16860 1 239 . 1 1 19 19 ILE HG23 H 1 0.78 0.02 . 1 . . . . 20 ILE HG2 . 16860 1 240 . 1 1 19 19 ILE C C 13 175.5 0.2 . 1 . . . . 20 ILE C . 16860 1 241 . 1 1 19 19 ILE CA C 13 63.8 0.2 . 1 . . . . 20 ILE CA . 16860 1 242 . 1 1 19 19 ILE CB C 13 39.5 0.2 . 1 . . . . 20 ILE CB . 16860 1 243 . 1 1 19 19 ILE CD1 C 13 16.0 0.2 . 1 . . . . 20 ILE CD1 . 16860 1 244 . 1 1 19 19 ILE CG1 C 13 29.0 0.2 . 1 . . . . 20 ILE CG1 . 16860 1 245 . 1 1 19 19 ILE CG2 C 13 16.9 0.2 . 1 . . . . 20 ILE CG2 . 16860 1 246 . 1 1 19 19 ILE N N 15 121.7 0.2 . 1 . . . . 20 ILE N . 16860 1 247 . 1 1 20 20 VAL H H 1 8.37 0.02 . 1 . . . . 21 VAL H . 16860 1 248 . 1 1 20 20 VAL HA H 1 4.23 0.02 . 1 . . . . 21 VAL HA . 16860 1 249 . 1 1 20 20 VAL HB H 1 1.88 0.02 . 1 . . . . 21 VAL HB . 16860 1 250 . 1 1 20 20 VAL HG11 H 1 0.81 0.02 . 1 . . . . 21 VAL HG1 . 16860 1 251 . 1 1 20 20 VAL HG12 H 1 0.81 0.02 . 1 . . . . 21 VAL HG1 . 16860 1 252 . 1 1 20 20 VAL HG13 H 1 0.81 0.02 . 1 . . . . 21 VAL HG1 . 16860 1 253 . 1 1 20 20 VAL HG21 H 1 0.87 0.02 . 1 . . . . 21 VAL HG2 . 16860 1 254 . 1 1 20 20 VAL HG22 H 1 0.87 0.02 . 1 . . . . 21 VAL HG2 . 16860 1 255 . 1 1 20 20 VAL HG23 H 1 0.87 0.02 . 1 . . . . 21 VAL HG2 . 16860 1 256 . 1 1 20 20 VAL C C 13 175.4 0.2 . 1 . . . . 21 VAL C . 16860 1 257 . 1 1 20 20 VAL CA C 13 61.4 0.2 . 1 . . . . 21 VAL CA . 16860 1 258 . 1 1 20 20 VAL CB C 13 34.0 0.2 . 1 . . . . 21 VAL CB . 16860 1 259 . 1 1 20 20 VAL CG1 C 13 21.0 0.2 . 1 . . . . 21 VAL CG1 . 16860 1 260 . 1 1 20 20 VAL CG2 C 13 20.6 0.2 . 1 . . . . 21 VAL CG2 . 16860 1 261 . 1 1 20 20 VAL N N 15 128.4 0.2 . 1 . . . . 21 VAL N . 16860 1 262 . 1 1 21 21 LEU H H 1 8.58 0.02 . 1 . . . . 22 LEU H . 16860 1 263 . 1 1 21 21 LEU HA H 1 4.46 0.02 . 1 . . . . 22 LEU HA . 16860 1 264 . 1 1 21 21 LEU HB2 H 1 1.48 0.02 . 2 . . . . 22 LEU HB2 . 16860 1 265 . 1 1 21 21 LEU HB3 H 1 0.94 0.02 . 2 . . . . 22 LEU HB3 . 16860 1 266 . 1 1 21 21 LEU HD11 H 1 0.11 0.02 . 1 . . . . 22 LEU HD1 . 16860 1 267 . 1 1 21 21 LEU HD12 H 1 0.11 0.02 . 1 . . . . 22 LEU HD1 . 16860 1 268 . 1 1 21 21 LEU HD13 H 1 0.11 0.02 . 1 . . . . 22 LEU HD1 . 16860 1 269 . 1 1 21 21 LEU HD21 H 1 0.25 0.02 . 1 . . . . 22 LEU HD2 . 16860 1 270 . 1 1 21 21 LEU HD22 H 1 0.25 0.02 . 1 . . . . 22 LEU HD2 . 16860 1 271 . 1 1 21 21 LEU HD23 H 1 0.25 0.02 . 1 . . . . 22 LEU HD2 . 16860 1 272 . 1 1 21 21 LEU HG H 1 1.29 0.02 . 1 . . . . 22 LEU HG . 16860 1 273 . 1 1 21 21 LEU C C 13 176.2 0.2 . 1 . . . . 22 LEU C . 16860 1 274 . 1 1 21 21 LEU CA C 13 54.0 0.2 . 1 . . . . 22 LEU CA . 16860 1 275 . 1 1 21 21 LEU CB C 13 44.9 0.2 . 1 . . . . 22 LEU CB . 16860 1 276 . 1 1 21 21 LEU CD1 C 13 25.4 0.2 . 1 . . . . 22 LEU CD1 . 16860 1 277 . 1 1 21 21 LEU CD2 C 13 22.7 0.2 . 1 . . . . 22 LEU CD2 . 16860 1 278 . 1 1 21 21 LEU CG C 13 26.4 0.2 . 1 . . . . 22 LEU CG . 16860 1 279 . 1 1 21 21 LEU N N 15 124.3 0.2 . 1 . . . . 22 LEU N . 16860 1 280 . 1 1 22 22 THR H H 1 8.30 0.02 . 1 . . . . 23 THR H . 16860 1 281 . 1 1 22 22 THR HA H 1 4.49 0.02 . 1 . . . . 23 THR HA . 16860 1 282 . 1 1 22 22 THR HB H 1 4.50 0.02 . 1 . . . . 23 THR HB . 16860 1 283 . 1 1 22 22 THR HG21 H 1 1.11 0.02 . 1 . . . . 23 THR HG2 . 16860 1 284 . 1 1 22 22 THR HG22 H 1 1.11 0.02 . 1 . . . . 23 THR HG2 . 16860 1 285 . 1 1 22 22 THR HG23 H 1 1.11 0.02 . 1 . . . . 23 THR HG2 . 16860 1 286 . 1 1 22 22 THR C C 13 175.1 0.2 . 1 . . . . 23 THR C . 16860 1 287 . 1 1 22 22 THR CA C 13 59.9 0.2 . 1 . . . . 23 THR CA . 16860 1 288 . 1 1 22 22 THR CB C 13 72.4 0.2 . 1 . . . . 23 THR CB . 16860 1 289 . 1 1 22 22 THR CG2 C 13 21.2 0.2 . 1 . . . . 23 THR CG2 . 16860 1 290 . 1 1 22 22 THR N N 15 110.8 0.2 . 1 . . . . 23 THR N . 16860 1 291 . 1 1 23 23 ARG H H 1 9.06 0.02 . 1 . . . . 24 ARG H . 16860 1 292 . 1 1 23 23 ARG HA H 1 3.57 0.02 . 1 . . . . 24 ARG HA . 16860 1 293 . 1 1 23 23 ARG HB2 H 1 1.98 0.02 . 2 . . . . 24 ARG HB2 . 16860 1 294 . 1 1 23 23 ARG HB3 H 1 1.70 0.02 . 2 . . . . 24 ARG HB3 . 16860 1 295 . 1 1 23 23 ARG HD2 H 1 3.09 0.02 . 2 . . . . 24 ARG HD2 . 16860 1 296 . 1 1 23 23 ARG HD3 H 1 3.45 0.02 . 2 . . . . 24 ARG HD3 . 16860 1 297 . 1 1 23 23 ARG HE H 1 7.37 0.02 . 1 . . . . 24 ARG HE . 16860 1 298 . 1 1 23 23 ARG HG2 H 1 1.38 0.02 . 2 . . . . 24 ARG HG2 . 16860 1 299 . 1 1 23 23 ARG HG3 H 1 1.84 0.02 . 2 . . . . 24 ARG HG3 . 16860 1 300 . 1 1 23 23 ARG C C 13 177.1 0.2 . 1 . . . . 24 ARG C . 16860 1 301 . 1 1 23 23 ARG CA C 13 60.0 0.2 . 1 . . . . 24 ARG CA . 16860 1 302 . 1 1 23 23 ARG CB C 13 29.6 0.2 . 1 . . . . 24 ARG CB . 16860 1 303 . 1 1 23 23 ARG CD C 13 42.4 0.2 . 1 . . . . 24 ARG CD . 16860 1 304 . 1 1 23 23 ARG CG C 13 30.0 0.2 . 1 . . . . 24 ARG CG . 16860 1 305 . 1 1 23 23 ARG N N 15 118.8 0.2 . 1 . . . . 24 ARG N . 16860 1 306 . 1 1 23 23 ARG NE N 15 80.2 0.2 . 1 . . . . 24 ARG NE . 16860 1 307 . 1 1 24 24 GLU H H 1 7.88 0.02 . 1 . . . . 25 GLU H . 16860 1 308 . 1 1 24 24 GLU HA H 1 4.12 0.02 . 1 . . . . 25 GLU HA . 16860 1 309 . 1 1 24 24 GLU HB2 H 1 2.11 0.02 . 2 . . . . 25 GLU HB2 . 16860 1 310 . 1 1 24 24 GLU HB3 H 1 1.84 0.02 . 2 . . . . 25 GLU HB3 . 16860 1 311 . 1 1 24 24 GLU HG2 H 1 2.32 0.02 . 2 . . . . 25 GLU HG2 . 16860 1 312 . 1 1 24 24 GLU HG3 H 1 2.16 0.02 . 2 . . . . 25 GLU HG3 . 16860 1 313 . 1 1 24 24 GLU C C 13 176.8 0.2 . 1 . . . . 25 GLU C . 16860 1 314 . 1 1 24 24 GLU CA C 13 57.1 0.2 . 1 . . . . 25 GLU CA . 16860 1 315 . 1 1 24 24 GLU CB C 13 29.7 0.2 . 1 . . . . 25 GLU CB . 16860 1 316 . 1 1 24 24 GLU CG C 13 37.3 0.2 . 1 . . . . 25 GLU CG . 16860 1 317 . 1 1 24 24 GLU N N 15 113.0 0.2 . 1 . . . . 25 GLU N . 16860 1 318 . 1 1 25 25 THR H H 1 7.60 0.02 . 1 . . . . 26 THR H . 16860 1 319 . 1 1 25 25 THR HA H 1 4.20 0.02 . 1 . . . . 26 THR HA . 16860 1 320 . 1 1 25 25 THR HB H 1 4.10 0.02 . 1 . . . . 26 THR HB . 16860 1 321 . 1 1 25 25 THR HG1 H 1 5.99 0.02 . 1 . . . . 26 THR HG1 . 16860 1 322 . 1 1 25 25 THR HG21 H 1 1.51 0.02 . 1 . . . . 26 THR HG2 . 16860 1 323 . 1 1 25 25 THR HG22 H 1 1.51 0.02 . 1 . . . . 26 THR HG2 . 16860 1 324 . 1 1 25 25 THR HG23 H 1 1.51 0.02 . 1 . . . . 26 THR HG2 . 16860 1 325 . 1 1 25 25 THR CA C 13 65.6 0.2 . 1 . . . . 26 THR CA . 16860 1 326 . 1 1 25 25 THR CB C 13 69.4 0.2 . 1 . . . . 26 THR CB . 16860 1 327 . 1 1 25 25 THR CG2 C 13 22.5 0.2 . 1 . . . . 26 THR CG2 . 16860 1 328 . 1 1 25 25 THR N N 15 120.5 0.2 . 1 . . . . 26 THR N . 16860 1 329 . 1 1 26 26 SER H H 1 9.27 0.02 . 1 . . . . 27 SER H . 16860 1 330 . 1 1 26 26 SER HA H 1 4.53 0.02 . 1 . . . . 27 SER HA . 16860 1 331 . 1 1 26 26 SER HB2 H 1 4.04 0.02 . 2 . . . . 27 SER HB2 . 16860 1 332 . 1 1 26 26 SER HB3 H 1 3.76 0.02 . 2 . . . . 27 SER HB3 . 16860 1 333 . 1 1 26 26 SER C C 13 174.2 0.2 . 1 . . . . 27 SER C . 16860 1 334 . 1 1 26 26 SER CA C 13 57.0 0.2 . 1 . . . . 27 SER CA . 16860 1 335 . 1 1 26 26 SER CB C 13 67.6 0.2 . 1 . . . . 27 SER CB . 16860 1 336 . 1 1 26 26 SER N N 15 123.0 0.2 . 1 . . . . 27 SER N . 16860 1 337 . 1 1 27 27 ALA H H 1 8.37 0.02 . 1 . . . . 28 ALA H . 16860 1 338 . 1 1 27 27 ALA HA H 1 3.45 0.02 . 1 . . . . 28 ALA HA . 16860 1 339 . 1 1 27 27 ALA HB1 H 1 0.01 0.02 . 1 . . . . 28 ALA HB . 16860 1 340 . 1 1 27 27 ALA HB2 H 1 0.01 0.02 . 1 . . . . 28 ALA HB . 16860 1 341 . 1 1 27 27 ALA HB3 H 1 0.01 0.02 . 1 . . . . 28 ALA HB . 16860 1 342 . 1 1 27 27 ALA C C 13 179.1 0.2 . 1 . . . . 28 ALA C . 16860 1 343 . 1 1 27 27 ALA CA C 13 55.4 0.2 . 1 . . . . 28 ALA CA . 16860 1 344 . 1 1 27 27 ALA CB C 13 16.8 0.2 . 1 . . . . 28 ALA CB . 16860 1 345 . 1 1 27 27 ALA N N 15 121.9 0.2 . 1 . . . . 28 ALA N . 16860 1 346 . 1 1 28 28 ASN H H 1 7.65 0.02 . 1 . . . . 29 ASN H . 16860 1 347 . 1 1 28 28 ASN HA H 1 4.32 0.02 . 1 . . . . 29 ASN HA . 16860 1 348 . 1 1 28 28 ASN HB2 H 1 2.65 0.02 . 2 . . . . 29 ASN HB2 . 16860 1 349 . 1 1 28 28 ASN HB3 H 1 2.45 0.02 . 2 . . . . 29 ASN HB3 . 16860 1 350 . 1 1 28 28 ASN HD21 H 1 7.64 0.02 . 1 . . . . 29 ASN HD21 . 16860 1 351 . 1 1 28 28 ASN HD22 H 1 6.92 0.02 . 1 . . . . 29 ASN HD22 . 16860 1 352 . 1 1 28 28 ASN C C 13 176.4 0.2 . 1 . . . . 29 ASN C . 16860 1 353 . 1 1 28 28 ASN CA C 13 55.1 0.2 . 1 . . . . 29 ASN CA . 16860 1 354 . 1 1 28 28 ASN CB C 13 38.6 0.2 . 1 . . . . 29 ASN CB . 16860 1 355 . 1 1 28 28 ASN CG C 13 176.5 0.2 . 1 . . . . 29 ASN CG . 16860 1 356 . 1 1 28 28 ASN N N 15 113.2 0.2 . 1 . . . . 29 ASN N . 16860 1 357 . 1 1 28 28 ASN ND2 N 15 114.0 0.2 . 1 . . . . 29 ASN ND2 . 16860 1 358 . 1 1 29 29 ASP H H 1 8.01 0.02 . 1 . . . . 30 ASP H . 16860 1 359 . 1 1 29 29 ASP HA H 1 4.61 0.02 . 1 . . . . 30 ASP HA . 16860 1 360 . 1 1 29 29 ASP HB2 H 1 3.00 0.02 . 2 . . . . 30 ASP HB2 . 16860 1 361 . 1 1 29 29 ASP HB3 H 1 3.00 0.02 . 2 . . . . 30 ASP HB3 . 16860 1 362 . 1 1 29 29 ASP C C 13 175.7 0.2 . 1 . . . . 30 ASP C . 16860 1 363 . 1 1 29 29 ASP CA C 13 55.7 0.2 . 1 . . . . 30 ASP CA . 16860 1 364 . 1 1 29 29 ASP CB C 13 43.3 0.2 . 1 . . . . 30 ASP CB . 16860 1 365 . 1 1 29 29 ASP N N 15 115.9 0.2 . 1 . . . . 30 ASP N . 16860 1 366 . 1 1 30 30 ILE H H 1 7.09 0.02 . 1 . . . . 31 ILE H . 16860 1 367 . 1 1 30 30 ILE HA H 1 4.45 0.02 . 1 . . . . 31 ILE HA . 16860 1 368 . 1 1 30 30 ILE HB H 1 2.02 0.02 . 1 . . . . 31 ILE HB . 16860 1 369 . 1 1 30 30 ILE HD11 H 1 0.96 0.02 . 1 . . . . 31 ILE HD1 . 16860 1 370 . 1 1 30 30 ILE HD12 H 1 0.96 0.02 . 1 . . . . 31 ILE HD1 . 16860 1 371 . 1 1 30 30 ILE HD13 H 1 0.96 0.02 . 1 . . . . 31 ILE HD1 . 16860 1 372 . 1 1 30 30 ILE HG12 H 1 1.57 0.02 . 2 . . . . 31 ILE HG12 . 16860 1 373 . 1 1 30 30 ILE HG13 H 1 1.22 0.02 . 2 . . . . 31 ILE HG13 . 16860 1 374 . 1 1 30 30 ILE HG21 H 1 0.70 0.02 . 1 . . . . 31 ILE HG2 . 16860 1 375 . 1 1 30 30 ILE HG22 H 1 0.70 0.02 . 1 . . . . 31 ILE HG2 . 16860 1 376 . 1 1 30 30 ILE HG23 H 1 0.70 0.02 . 1 . . . . 31 ILE HG2 . 16860 1 377 . 1 1 30 30 ILE C C 13 176.5 0.2 . 1 . . . . 31 ILE C . 16860 1 378 . 1 1 30 30 ILE CA C 13 60.0 0.2 . 1 . . . . 31 ILE CA . 16860 1 379 . 1 1 30 30 ILE CB C 13 40.5 0.2 . 1 . . . . 31 ILE CB . 16860 1 380 . 1 1 30 30 ILE CD1 C 13 13.2 0.2 . 1 . . . . 31 ILE CD1 . 16860 1 381 . 1 1 30 30 ILE CG1 C 13 26.8 0.2 . 1 . . . . 31 ILE CG1 . 16860 1 382 . 1 1 30 30 ILE CG2 C 13 16.9 0.2 . 1 . . . . 31 ILE CG2 . 16860 1 383 . 1 1 30 30 ILE N N 15 118.7 0.2 . 1 . . . . 31 ILE N . 16860 1 384 . 1 1 31 31 ASP H H 1 9.24 0.02 . 1 . . . . 32 ASP H . 16860 1 385 . 1 1 31 31 ASP HA H 1 4.36 0.02 . 1 . . . . 32 ASP HA . 16860 1 386 . 1 1 31 31 ASP HB2 H 1 2.66 0.02 . 2 . . . . 32 ASP HB2 . 16860 1 387 . 1 1 31 31 ASP HB3 H 1 2.66 0.02 . 2 . . . . 32 ASP HB3 . 16860 1 388 . 1 1 31 31 ASP C C 13 177.8 0.2 . 1 . . . . 32 ASP C . 16860 1 389 . 1 1 31 31 ASP CA C 13 57.7 0.2 . 1 . . . . 32 ASP CA . 16860 1 390 . 1 1 31 31 ASP CB C 13 40.2 0.2 . 1 . . . . 32 ASP CB . 16860 1 391 . 1 1 31 31 ASP N N 15 132.3 0.2 . 1 . . . . 32 ASP N . 16860 1 392 . 1 1 32 32 ALA H H 1 8.37 0.02 . 1 . . . . 33 ALA H . 16860 1 393 . 1 1 32 32 ALA HA H 1 4.29 0.02 . 1 . . . . 33 ALA HA . 16860 1 394 . 1 1 32 32 ALA HB1 H 1 1.51 0.02 . 1 . . . . 33 ALA HB . 16860 1 395 . 1 1 32 32 ALA HB2 H 1 1.51 0.02 . 1 . . . . 33 ALA HB . 16860 1 396 . 1 1 32 32 ALA HB3 H 1 1.51 0.02 . 1 . . . . 33 ALA HB . 16860 1 397 . 1 1 32 32 ALA C C 13 176.3 0.2 . 1 . . . . 33 ALA C . 16860 1 398 . 1 1 32 32 ALA CA C 13 52.7 0.2 . 1 . . . . 33 ALA CA . 16860 1 399 . 1 1 32 32 ALA CB C 13 20.0 0.2 . 1 . . . . 33 ALA CB . 16860 1 400 . 1 1 32 32 ALA N N 15 117.9 0.2 . 1 . . . . 33 ALA N . 16860 1 401 . 1 1 33 33 TRP H H 1 7.68 0.02 . 1 . . . . 34 TRP H . 16860 1 402 . 1 1 33 33 TRP HA H 1 4.67 0.02 . 1 . . . . 34 TRP HA . 16860 1 403 . 1 1 33 33 TRP HB2 H 1 3.64 0.02 . 2 . . . . 34 TRP HB2 . 16860 1 404 . 1 1 33 33 TRP HB3 H 1 1.68 0.02 . 2 . . . . 34 TRP HB3 . 16860 1 405 . 1 1 33 33 TRP HD1 H 1 7.21 0.02 . 1 . . . . 34 TRP HD1 . 16860 1 406 . 1 1 33 33 TRP HE1 H 1 12.92 0.02 . 1 . . . . 34 TRP HE1 . 16860 1 407 . 1 1 33 33 TRP HE3 H 1 7.24 0.02 . 1 . . . . 34 TRP HE3 . 16860 1 408 . 1 1 33 33 TRP HH2 H 1 7.07 0.02 . 1 . . . . 34 TRP HH2 . 16860 1 409 . 1 1 33 33 TRP HZ2 H 1 7.62 0.02 . 1 . . . . 34 TRP HZ2 . 16860 1 410 . 1 1 33 33 TRP HZ3 H 1 6.57 0.02 . 1 . . . . 34 TRP HZ3 . 16860 1 411 . 1 1 33 33 TRP C C 13 171.9 0.2 . 1 . . . . 34 TRP C . 16860 1 412 . 1 1 33 33 TRP CA C 13 54.7 0.2 . 1 . . . . 34 TRP CA . 16860 1 413 . 1 1 33 33 TRP CB C 13 29.9 0.2 . 1 . . . . 34 TRP CB . 16860 1 414 . 1 1 33 33 TRP CD1 C 13 121.8 0.2 . 1 . . . . 34 TRP CD1 . 16860 1 415 . 1 1 33 33 TRP CE3 C 13 121.0 0.2 . 1 . . . . 34 TRP CE3 . 16860 1 416 . 1 1 33 33 TRP CH2 C 13 122.8 0.2 . 1 . . . . 34 TRP CH2 . 16860 1 417 . 1 1 33 33 TRP CZ2 C 13 114.6 0.2 . 1 . . . . 34 TRP CZ2 . 16860 1 418 . 1 1 33 33 TRP CZ3 C 13 119.6 0.2 . 1 . . . . 34 TRP CZ3 . 16860 1 419 . 1 1 33 33 TRP N N 15 122.8 0.2 . 1 . . . . 34 TRP N . 16860 1 420 . 1 1 33 33 TRP NE1 N 15 133.9 0.2 . 1 . . . . 34 TRP NE1 . 16860 1 421 . 1 1 34 34 ASP H H 1 8.64 0.02 . 1 . . . . 35 ASP H . 16860 1 422 . 1 1 34 34 ASP HA H 1 4.66 0.02 . 1 . . . . 35 ASP HA . 16860 1 423 . 1 1 34 34 ASP HB2 H 1 3.13 0.02 . 2 . . . . 35 ASP HB2 . 16860 1 424 . 1 1 34 34 ASP HB3 H 1 2.80 0.02 . 2 . . . . 35 ASP HB3 . 16860 1 425 . 1 1 34 34 ASP C C 13 176.9 0.2 . 1 . . . . 35 ASP C . 16860 1 426 . 1 1 34 34 ASP CA C 13 52.4 0.2 . 1 . . . . 35 ASP CA . 16860 1 427 . 1 1 34 34 ASP CB C 13 42.1 0.2 . 1 . . . . 35 ASP CB . 16860 1 428 . 1 1 34 34 ASP N N 15 126.8 0.2 . 1 . . . . 35 ASP N . 16860 1 429 . 1 1 35 35 SER H H 1 8.95 0.02 . 1 . . . . 36 SER H . 16860 1 430 . 1 1 35 35 SER HA H 1 4.37 0.02 . 1 . . . . 36 SER HA . 16860 1 431 . 1 1 35 35 SER HB2 H 1 4.30 0.02 . 2 . . . . 36 SER HB2 . 16860 1 432 . 1 1 35 35 SER HB3 H 1 4.12 0.02 . 2 . . . . 36 SER HB3 . 16860 1 433 . 1 1 35 35 SER C C 13 175.3 0.2 . 1 . . . . 36 SER C . 16860 1 434 . 1 1 35 35 SER CA C 13 61.8 0.2 . 1 . . . . 36 SER CA . 16860 1 435 . 1 1 35 35 SER CB C 13 66.9 0.2 . 1 . . . . 36 SER CB . 16860 1 436 . 1 1 35 35 SER N N 15 112.5 0.2 . 1 . . . . 36 SER N . 16860 1 437 . 1 1 36 36 LEU H H 1 8.30 0.02 . 1 . . . . 37 LEU H . 16860 1 438 . 1 1 36 36 LEU HA H 1 4.41 0.02 . 1 . . . . 37 LEU HA . 16860 1 439 . 1 1 36 36 LEU HB2 H 1 1.96 0.02 . 2 . . . . 37 LEU HB2 . 16860 1 440 . 1 1 36 36 LEU HB3 H 1 1.70 0.02 . 2 . . . . 37 LEU HB3 . 16860 1 441 . 1 1 36 36 LEU HD11 H 1 0.95 0.02 . 1 . . . . 37 LEU HD1 . 16860 1 442 . 1 1 36 36 LEU HD12 H 1 0.95 0.02 . 1 . . . . 37 LEU HD1 . 16860 1 443 . 1 1 36 36 LEU HD13 H 1 0.95 0.02 . 1 . . . . 37 LEU HD1 . 16860 1 444 . 1 1 36 36 LEU HD21 H 1 0.89 0.02 . 1 . . . . 37 LEU HD2 . 16860 1 445 . 1 1 36 36 LEU HD22 H 1 0.89 0.02 . 1 . . . . 37 LEU HD2 . 16860 1 446 . 1 1 36 36 LEU HD23 H 1 0.89 0.02 . 1 . . . . 37 LEU HD2 . 16860 1 447 . 1 1 36 36 LEU HG H 1 1.67 0.02 . 1 . . . . 37 LEU HG . 16860 1 448 . 1 1 36 36 LEU C C 13 179.6 0.2 . 1 . . . . 37 LEU C . 16860 1 449 . 1 1 36 36 LEU CA C 13 57.6 0.2 . 1 . . . . 37 LEU CA . 16860 1 450 . 1 1 36 36 LEU CB C 13 41.3 0.2 . 1 . . . . 37 LEU CB . 16860 1 451 . 1 1 36 36 LEU CD1 C 13 24.8 0.2 . 1 . . . . 37 LEU CD1 . 16860 1 452 . 1 1 36 36 LEU CD2 C 13 23.8 0.2 . 1 . . . . 37 LEU CD2 . 16860 1 453 . 1 1 36 36 LEU CG C 13 27.3 0.2 . 1 . . . . 37 LEU CG . 16860 1 454 . 1 1 36 36 LEU N N 15 121.4 0.2 . 1 . . . . 37 LEU N . 16860 1 455 . 1 1 37 37 SER H H 1 8.88 0.02 . 1 . . . . 38 SER H . 16860 1 456 . 1 1 37 37 SER HA H 1 4.48 0.02 . 1 . . . . 38 SER HA . 16860 1 457 . 1 1 37 37 SER HB2 H 1 4.32 0.02 . 2 . . . . 38 SER HB2 . 16860 1 458 . 1 1 37 37 SER HB3 H 1 4.23 0.02 . 2 . . . . 38 SER HB3 . 16860 1 459 . 1 1 37 37 SER C C 13 177.6 0.2 . 1 . . . . 38 SER C . 16860 1 460 . 1 1 37 37 SER CA C 13 59.9 0.2 . 1 . . . . 38 SER CA . 16860 1 461 . 1 1 37 37 SER CB C 13 63.6 0.2 . 1 . . . . 38 SER CB . 16860 1 462 . 1 1 37 37 SER N N 15 116.6 0.2 . 1 . . . . 38 SER N . 16860 1 463 . 1 1 38 38 HIS H H 1 9.14 0.02 . 1 . . . . 39 HIS H . 16860 1 464 . 1 1 38 38 HIS HA H 1 4.71 0.02 . 1 . . . . 39 HIS HA . 16860 1 465 . 1 1 38 38 HIS HB2 H 1 3.62 0.02 . 2 . . . . 39 HIS HB2 . 16860 1 466 . 1 1 38 38 HIS HB3 H 1 3.38 0.02 . 2 . . . . 39 HIS HB3 . 16860 1 467 . 1 1 38 38 HIS HD2 H 1 7.12 0.02 . 1 . . . . 39 HIS HD2 . 16860 1 468 . 1 1 38 38 HIS HE1 H 1 7.80 0.02 . 1 . . . . 39 HIS HE1 . 16860 1 469 . 1 1 38 38 HIS HE2 H 1 11.10 0.02 . 1 . . . . 39 HIS HE2 . 16860 1 470 . 1 1 38 38 HIS C C 13 177.1 0.2 . 1 . . . . 39 HIS C . 16860 1 471 . 1 1 38 38 HIS CA C 13 60.1 0.2 . 1 . . . . 39 HIS CA . 16860 1 472 . 1 1 38 38 HIS CB C 13 32.7 0.2 . 1 . . . . 39 HIS CB . 16860 1 473 . 1 1 38 38 HIS CD2 C 13 117.9 0.2 . 1 . . . . 39 HIS CD2 . 16860 1 474 . 1 1 38 38 HIS CE1 C 13 137.2 0.2 . 1 . . . . 39 HIS CE1 . 16860 1 475 . 1 1 38 38 HIS N N 15 123.5 0.2 . 1 . . . . 39 HIS N . 16860 1 476 . 1 1 38 38 HIS ND1 N 15 254.0 0.2 . 1 . . . . 39 HIS ND1 . 16860 1 477 . 1 1 38 38 HIS NE2 N 15 162.4 0.2 . 1 . . . . 39 HIS NE2 . 16860 1 478 . 1 1 39 39 MET H H 1 7.62 0.02 . 1 . . . . 40 MET H . 16860 1 479 . 1 1 39 39 MET HA H 1 4.21 0.02 . 1 . . . . 40 MET HA . 16860 1 480 . 1 1 39 39 MET HB2 H 1 2.17 0.02 . 2 . . . . 40 MET HB2 . 16860 1 481 . 1 1 39 39 MET HB3 H 1 2.17 0.02 . 2 . . . . 40 MET HB3 . 16860 1 482 . 1 1 39 39 MET HE1 H 1 2.09 0.02 . 1 . . . . 40 MET HE . 16860 1 483 . 1 1 39 39 MET HE2 H 1 2.09 0.02 . 1 . . . . 40 MET HE . 16860 1 484 . 1 1 39 39 MET HE3 H 1 2.09 0.02 . 1 . . . . 40 MET HE . 16860 1 485 . 1 1 39 39 MET HG2 H 1 2.88 0.02 . 2 . . . . 40 MET HG2 . 16860 1 486 . 1 1 39 39 MET HG3 H 1 2.71 0.02 . 2 . . . . 40 MET HG3 . 16860 1 487 . 1 1 39 39 MET C C 13 178.5 0.2 . 1 . . . . 40 MET C . 16860 1 488 . 1 1 39 39 MET CA C 13 57.5 0.2 . 1 . . . . 40 MET CA . 16860 1 489 . 1 1 39 39 MET CB C 13 31.1 0.2 . 1 . . . . 40 MET CB . 16860 1 490 . 1 1 39 39 MET CE C 13 16.6 0.2 . 1 . . . . 40 MET CE . 16860 1 491 . 1 1 39 39 MET CG C 13 32.2 0.2 . 1 . . . . 40 MET CG . 16860 1 492 . 1 1 39 39 MET N N 15 113.0 0.2 . 1 . . . . 40 MET N . 16860 1 493 . 1 1 40 40 ASN H H 1 7.26 0.02 . 1 . . . . 41 ASN H . 16860 1 494 . 1 1 40 40 ASN HA H 1 4.42 0.02 . 1 . . . . 41 ASN HA . 16860 1 495 . 1 1 40 40 ASN HB2 H 1 2.70 0.02 . 2 . . . . 41 ASN HB2 . 16860 1 496 . 1 1 40 40 ASN HB3 H 1 2.88 0.02 . 2 . . . . 41 ASN HB3 . 16860 1 497 . 1 1 40 40 ASN HD21 H 1 7.69 0.02 . 1 . . . . 41 ASN HD21 . 16860 1 498 . 1 1 40 40 ASN HD22 H 1 6.90 0.02 . 1 . . . . 41 ASN HD22 . 16860 1 499 . 1 1 40 40 ASN C C 13 178.0 0.2 . 1 . . . . 41 ASN C . 16860 1 500 . 1 1 40 40 ASN CA C 13 55.4 0.2 . 1 . . . . 41 ASN CA . 16860 1 501 . 1 1 40 40 ASN CB C 13 37.5 0.2 . 1 . . . . 41 ASN CB . 16860 1 502 . 1 1 40 40 ASN CG C 13 175.6 0.2 . 1 . . . . 41 ASN CG . 16860 1 503 . 1 1 40 40 ASN N N 15 117.3 0.2 . 1 . . . . 41 ASN N . 16860 1 504 . 1 1 40 40 ASN ND2 N 15 112.3 0.2 . 1 . . . . 41 ASN ND2 . 16860 1 505 . 1 1 41 41 LEU H H 1 7.80 0.02 . 1 . . . . 42 LEU H . 16860 1 506 . 1 1 41 41 LEU HA H 1 3.53 0.02 . 1 . . . . 42 LEU HA . 16860 1 507 . 1 1 41 41 LEU HB2 H 1 2.03 0.02 . 2 . . . . 42 LEU HB2 . 16860 1 508 . 1 1 41 41 LEU HB3 H 1 0.80 0.02 . 2 . . . . 42 LEU HB3 . 16860 1 509 . 1 1 41 41 LEU HD11 H 1 0.18 0.02 . 1 . . . . 42 LEU HD1 . 16860 1 510 . 1 1 41 41 LEU HD12 H 1 0.18 0.02 . 1 . . . . 42 LEU HD1 . 16860 1 511 . 1 1 41 41 LEU HD13 H 1 0.18 0.02 . 1 . . . . 42 LEU HD1 . 16860 1 512 . 1 1 41 41 LEU HD21 H 1 -0.34 0.02 . 1 . . . . 42 LEU HD2 . 16860 1 513 . 1 1 41 41 LEU HD22 H 1 -0.34 0.02 . 1 . . . . 42 LEU HD2 . 16860 1 514 . 1 1 41 41 LEU HD23 H 1 -0.34 0.02 . 1 . . . . 42 LEU HD2 . 16860 1 515 . 1 1 41 41 LEU HG H 1 0.85 0.02 . 1 . . . . 42 LEU HG . 16860 1 516 . 1 1 41 41 LEU C C 13 177.1 0.2 . 1 . . . . 42 LEU C . 16860 1 517 . 1 1 41 41 LEU CA C 13 58.3 0.2 . 1 . . . . 42 LEU CA . 16860 1 518 . 1 1 41 41 LEU CB C 13 40.6 0.2 . 1 . . . . 42 LEU CB . 16860 1 519 . 1 1 41 41 LEU CD1 C 13 25.6 0.2 . 1 . . . . 42 LEU CD1 . 16860 1 520 . 1 1 41 41 LEU CD2 C 13 21.0 0.2 . 1 . . . . 42 LEU CD2 . 16860 1 521 . 1 1 41 41 LEU CG C 13 27.0 0.2 . 1 . . . . 42 LEU CG . 16860 1 522 . 1 1 41 41 LEU N N 15 123.8 0.2 . 1 . . . . 42 LEU N . 16860 1 523 . 1 1 42 42 ILE H H 1 7.85 0.02 . 1 . . . . 43 ILE H . 16860 1 524 . 1 1 42 42 ILE HA H 1 3.37 0.02 . 1 . . . . 43 ILE HA . 16860 1 525 . 1 1 42 42 ILE HB H 1 1.97 0.02 . 1 . . . . 43 ILE HB . 16860 1 526 . 1 1 42 42 ILE HD11 H 1 0.10 0.02 . 1 . . . . 43 ILE HD1 . 16860 1 527 . 1 1 42 42 ILE HD12 H 1 0.10 0.02 . 1 . . . . 43 ILE HD1 . 16860 1 528 . 1 1 42 42 ILE HD13 H 1 0.10 0.02 . 1 . . . . 43 ILE HD1 . 16860 1 529 . 1 1 42 42 ILE HG12 H 1 1.02 0.02 . 2 . . . . 43 ILE HG12 . 16860 1 530 . 1 1 42 42 ILE HG13 H 1 0.80 0.02 . 2 . . . . 43 ILE HG13 . 16860 1 531 . 1 1 42 42 ILE HG21 H 1 0.76 0.02 . 1 . . . . 43 ILE HG2 . 16860 1 532 . 1 1 42 42 ILE HG22 H 1 0.76 0.02 . 1 . . . . 43 ILE HG2 . 16860 1 533 . 1 1 42 42 ILE HG23 H 1 0.76 0.02 . 1 . . . . 43 ILE HG2 . 16860 1 534 . 1 1 42 42 ILE CA C 13 63.1 0.2 . 1 . . . . 43 ILE CA . 16860 1 535 . 1 1 42 42 ILE CB C 13 35.4 0.2 . 1 . . . . 43 ILE CB . 16860 1 536 . 1 1 42 42 ILE CD1 C 13 8.9 0.2 . 1 . . . . 43 ILE CD1 . 16860 1 537 . 1 1 42 42 ILE CG1 C 13 26.1 0.2 . 1 . . . . 43 ILE CG1 . 16860 1 538 . 1 1 42 42 ILE CG2 C 13 18.0 0.2 . 1 . . . . 43 ILE CG2 . 16860 1 539 . 1 1 42 42 ILE N N 15 117.7 0.2 . 1 . . . . 43 ILE N . 16860 1 540 . 1 1 43 43 VAL H H 1 8.07 0.02 . 1 . . . . 44 VAL H . 16860 1 541 . 1 1 43 43 VAL HA H 1 3.91 0.02 . 1 . . . . 44 VAL HA . 16860 1 542 . 1 1 43 43 VAL HB H 1 2.07 0.02 . 1 . . . . 44 VAL HB . 16860 1 543 . 1 1 43 43 VAL HG11 H 1 0.98 0.02 . 1 . . . . 44 VAL HG1 . 16860 1 544 . 1 1 43 43 VAL HG12 H 1 0.98 0.02 . 1 . . . . 44 VAL HG1 . 16860 1 545 . 1 1 43 43 VAL HG13 H 1 0.98 0.02 . 1 . . . . 44 VAL HG1 . 16860 1 546 . 1 1 43 43 VAL HG21 H 1 1.08 0.02 . 1 . . . . 44 VAL HG2 . 16860 1 547 . 1 1 43 43 VAL HG22 H 1 1.08 0.02 . 1 . . . . 44 VAL HG2 . 16860 1 548 . 1 1 43 43 VAL HG23 H 1 1.08 0.02 . 1 . . . . 44 VAL HG2 . 16860 1 549 . 1 1 43 43 VAL C C 13 178.0 0.2 . 1 . . . . 44 VAL C . 16860 1 550 . 1 1 43 43 VAL CA C 13 66.5 0.2 . 1 . . . . 44 VAL CA . 16860 1 551 . 1 1 43 43 VAL CB C 13 31.9 0.2 . 1 . . . . 44 VAL CB . 16860 1 552 . 1 1 43 43 VAL CG1 C 13 21.1 0.2 . 1 . . . . 44 VAL CG1 . 16860 1 553 . 1 1 43 43 VAL CG2 C 13 23.1 0.2 . 1 . . . . 44 VAL CG2 . 16860 1 554 . 1 1 43 43 VAL N N 15 118.5 0.2 . 1 . . . . 44 VAL N . 16860 1 555 . 1 1 44 44 SER H H 1 7.73 0.02 . 1 . . . . 45 SER H . 16860 1 556 . 1 1 44 44 SER HA H 1 4.17 0.02 . 1 . . . . 45 SER HA . 16860 1 557 . 1 1 44 44 SER HB2 H 1 3.87 0.02 . 2 . . . . 45 SER HB2 . 16860 1 558 . 1 1 44 44 SER HB3 H 1 3.60 0.02 . 2 . . . . 45 SER HB3 . 16860 1 559 . 1 1 44 44 SER C C 13 178.1 0.2 . 1 . . . . 45 SER C . 16860 1 560 . 1 1 44 44 SER CA C 13 62.8 0.2 . 1 . . . . 45 SER CA . 16860 1 561 . 1 1 44 44 SER CB C 13 62.7 0.2 . 1 . . . . 45 SER CB . 16860 1 562 . 1 1 44 44 SER N N 15 114.5 0.2 . 1 . . . . 45 SER N . 16860 1 563 . 1 1 45 45 LEU H H 1 8.23 0.02 . 1 . . . . 46 LEU H . 16860 1 564 . 1 1 45 45 LEU HA H 1 4.17 0.02 . 1 . . . . 46 LEU HA . 16860 1 565 . 1 1 45 45 LEU HB2 H 1 1.45 0.02 . 2 . . . . 46 LEU HB2 . 16860 1 566 . 1 1 45 45 LEU HB3 H 1 2.47 0.02 . 2 . . . . 46 LEU HB3 . 16860 1 567 . 1 1 45 45 LEU HD11 H 1 0.80 0.02 . 1 . . . . 46 LEU HD1 . 16860 1 568 . 1 1 45 45 LEU HD12 H 1 0.80 0.02 . 1 . . . . 46 LEU HD1 . 16860 1 569 . 1 1 45 45 LEU HD13 H 1 0.80 0.02 . 1 . . . . 46 LEU HD1 . 16860 1 570 . 1 1 45 45 LEU HD21 H 1 0.99 0.02 . 1 . . . . 46 LEU HD2 . 16860 1 571 . 1 1 45 45 LEU HD22 H 1 0.99 0.02 . 1 . . . . 46 LEU HD2 . 16860 1 572 . 1 1 45 45 LEU HD23 H 1 0.99 0.02 . 1 . . . . 46 LEU HD2 . 16860 1 573 . 1 1 45 45 LEU HG H 1 1.90 0.02 . 1 . . . . 46 LEU HG . 16860 1 574 . 1 1 45 45 LEU C C 13 178.6 0.2 . 1 . . . . 46 LEU C . 16860 1 575 . 1 1 45 45 LEU CA C 13 58.5 0.2 . 1 . . . . 46 LEU CA . 16860 1 576 . 1 1 45 45 LEU CB C 13 42.8 0.2 . 1 . . . . 46 LEU CB . 16860 1 577 . 1 1 45 45 LEU CD1 C 13 27.4 0.2 . 1 . . . . 46 LEU CD1 . 16860 1 578 . 1 1 45 45 LEU CD2 C 13 24.6 0.2 . 1 . . . . 46 LEU CD2 . 16860 1 579 . 1 1 45 45 LEU CG C 13 26.7 0.2 . 1 . . . . 46 LEU CG . 16860 1 580 . 1 1 45 45 LEU N N 15 122.2 0.2 . 1 . . . . 46 LEU N . 16860 1 581 . 1 1 46 46 GLU H H 1 8.60 0.02 . 1 . . . . 47 GLU H . 16860 1 582 . 1 1 46 46 GLU HA H 1 3.86 0.02 . 1 . . . . 47 GLU HA . 16860 1 583 . 1 1 46 46 GLU HB2 H 1 2.54 0.02 . 2 . . . . 47 GLU HB2 . 16860 1 584 . 1 1 46 46 GLU HB3 H 1 2.14 0.02 . 2 . . . . 47 GLU HB3 . 16860 1 585 . 1 1 46 46 GLU HG2 H 1 3.09 0.02 . 2 . . . . 47 GLU HG2 . 16860 1 586 . 1 1 46 46 GLU HG3 H 1 2.00 0.02 . 2 . . . . 47 GLU HG3 . 16860 1 587 . 1 1 46 46 GLU C C 13 180.6 0.2 . 1 . . . . 47 GLU C . 16860 1 588 . 1 1 46 46 GLU CA C 13 60.7 0.2 . 1 . . . . 47 GLU CA . 16860 1 589 . 1 1 46 46 GLU CB C 13 29.9 0.2 . 1 . . . . 47 GLU CB . 16860 1 590 . 1 1 46 46 GLU CG C 13 39.3 0.2 . 1 . . . . 47 GLU CG . 16860 1 591 . 1 1 46 46 GLU N N 15 120.3 0.2 . 1 . . . . 47 GLU N . 16860 1 592 . 1 1 47 47 VAL H H 1 8.56 0.02 . 1 . . . . 48 VAL H . 16860 1 593 . 1 1 47 47 VAL HA H 1 3.76 0.02 . 1 . . . . 48 VAL HA . 16860 1 594 . 1 1 47 47 VAL HB H 1 2.09 0.02 . 1 . . . . 48 VAL HB . 16860 1 595 . 1 1 47 47 VAL HG11 H 1 0.90 0.02 . 1 . . . . 48 VAL HG1 . 16860 1 596 . 1 1 47 47 VAL HG12 H 1 0.90 0.02 . 1 . . . . 48 VAL HG1 . 16860 1 597 . 1 1 47 47 VAL HG13 H 1 0.90 0.02 . 1 . . . . 48 VAL HG1 . 16860 1 598 . 1 1 47 47 VAL HG21 H 1 1.09 0.02 . 1 . . . . 48 VAL HG2 . 16860 1 599 . 1 1 47 47 VAL HG22 H 1 1.09 0.02 . 1 . . . . 48 VAL HG2 . 16860 1 600 . 1 1 47 47 VAL HG23 H 1 1.09 0.02 . 1 . . . . 48 VAL HG2 . 16860 1 601 . 1 1 47 47 VAL C C 13 178.7 0.2 . 1 . . . . 48 VAL C . 16860 1 602 . 1 1 47 47 VAL CA C 13 65.7 0.2 . 1 . . . . 48 VAL CA . 16860 1 603 . 1 1 47 47 VAL CB C 13 32.4 0.2 . 1 . . . . 48 VAL CB . 16860 1 604 . 1 1 47 47 VAL CG1 C 13 21.1 0.2 . 1 . . . . 48 VAL CG1 . 16860 1 605 . 1 1 47 47 VAL CG2 C 13 22.7 0.2 . 1 . . . . 48 VAL CG2 . 16860 1 606 . 1 1 47 47 VAL N N 15 117.6 0.2 . 1 . . . . 48 VAL N . 16860 1 607 . 1 1 48 48 HIS H H 1 8.21 0.02 . 1 . . . . 49 HIS H . 16860 1 608 . 1 1 48 48 HIS HA H 1 4.02 0.02 . 1 . . . . 49 HIS HA . 16860 1 609 . 1 1 48 48 HIS HB2 H 1 3.05 0.02 . 2 . . . . 49 HIS HB2 . 16860 1 610 . 1 1 48 48 HIS HB3 H 1 2.68 0.02 . 2 . . . . 49 HIS HB3 . 16860 1 611 . 1 1 48 48 HIS HD2 H 1 5.12 0.02 . 1 . . . . 49 HIS HD2 . 16860 1 612 . 1 1 48 48 HIS C C 13 177.2 0.2 . 1 . . . . 49 HIS C . 16860 1 613 . 1 1 48 48 HIS CA C 13 60.3 0.2 . 1 . . . . 49 HIS CA . 16860 1 614 . 1 1 48 48 HIS CB C 13 30.7 0.2 . 1 . . . . 49 HIS CB . 16860 1 615 . 1 1 48 48 HIS CD2 C 13 119.8 0.2 . 1 . . . . 49 HIS CD2 . 16860 1 616 . 1 1 48 48 HIS N N 15 118.5 0.2 . 1 . . . . 49 HIS N . 16860 1 617 . 1 1 49 49 TYR H H 1 8.27 0.02 . 1 . . . . 50 TYR H . 16860 1 618 . 1 1 49 49 TYR HA H 1 4.33 0.02 . 1 . . . . 50 TYR HA . 16860 1 619 . 1 1 49 49 TYR HB2 H 1 3.14 0.02 . 2 . . . . 50 TYR HB2 . 16860 1 620 . 1 1 49 49 TYR HB3 H 1 2.70 0.02 . 2 . . . . 50 TYR HB3 . 16860 1 621 . 1 1 49 49 TYR HD1 H 1 7.28 0.02 . 3 . . . . 50 TYR HD1 . 16860 1 622 . 1 1 49 49 TYR HD2 H 1 7.28 0.02 . 3 . . . . 50 TYR HD2 . 16860 1 623 . 1 1 49 49 TYR HE1 H 1 6.75 0.02 . 3 . . . . 50 TYR HE1 . 16860 1 624 . 1 1 49 49 TYR HE2 H 1 6.75 0.02 . 3 . . . . 50 TYR HE2 . 16860 1 625 . 1 1 49 49 TYR C C 13 174.4 0.2 . 1 . . . . 50 TYR C . 16860 1 626 . 1 1 49 49 TYR CA C 13 59.8 0.2 . 1 . . . . 50 TYR CA . 16860 1 627 . 1 1 49 49 TYR CB C 13 39.3 0.2 . 1 . . . . 50 TYR CB . 16860 1 628 . 1 1 49 49 TYR CD1 C 13 133.0 0.2 . 3 . . . . 50 TYR CD1 . 16860 1 629 . 1 1 49 49 TYR CD2 C 13 133.0 0.2 . 3 . . . . 50 TYR CD2 . 16860 1 630 . 1 1 49 49 TYR CE1 C 13 118.4 0.2 . 3 . . . . 50 TYR CE1 . 16860 1 631 . 1 1 49 49 TYR CE2 C 13 118.4 0.2 . 3 . . . . 50 TYR CE2 . 16860 1 632 . 1 1 49 49 TYR N N 15 112.3 0.2 . 1 . . . . 50 TYR N . 16860 1 633 . 1 1 50 50 LYS H H 1 7.90 0.02 . 1 . . . . 51 LYS H . 16860 1 634 . 1 1 50 50 LYS HA H 1 4.01 0.02 . 1 . . . . 51 LYS HA . 16860 1 635 . 1 1 50 50 LYS HB2 H 1 1.98 0.02 . 2 . . . . 51 LYS HB2 . 16860 1 636 . 1 1 50 50 LYS HB3 H 1 1.75 0.02 . 2 . . . . 51 LYS HB3 . 16860 1 637 . 1 1 50 50 LYS HD2 H 1 1.65 0.02 . 2 . . . . 51 LYS HD2 . 16860 1 638 . 1 1 50 50 LYS HD3 H 1 1.58 0.02 . 2 . . . . 51 LYS HD3 . 16860 1 639 . 1 1 50 50 LYS HE2 H 1 2.95 0.02 . 2 . . . . 51 LYS HE2 . 16860 1 640 . 1 1 50 50 LYS HE3 H 1 2.95 0.02 . 2 . . . . 51 LYS HE3 . 16860 1 641 . 1 1 50 50 LYS HG2 H 1 1.30 0.02 . 2 . . . . 51 LYS HG2 . 16860 1 642 . 1 1 50 50 LYS HG3 H 1 1.30 0.02 . 2 . . . . 51 LYS HG3 . 16860 1 643 . 1 1 50 50 LYS C C 13 175.8 0.2 . 1 . . . . 51 LYS C . 16860 1 644 . 1 1 50 50 LYS CA C 13 57.1 0.2 . 1 . . . . 51 LYS CA . 16860 1 645 . 1 1 50 50 LYS CB C 13 28.4 0.2 . 1 . . . . 51 LYS CB . 16860 1 646 . 1 1 50 50 LYS CD C 13 29.2 0.2 . 1 . . . . 51 LYS CD . 16860 1 647 . 1 1 50 50 LYS CE C 13 42.5 0.2 . 1 . . . . 51 LYS CE . 16860 1 648 . 1 1 50 50 LYS CG C 13 24.9 0.2 . 1 . . . . 51 LYS CG . 16860 1 649 . 1 1 50 50 LYS N N 15 119.5 0.2 . 1 . . . . 51 LYS N . 16860 1 650 . 1 1 51 51 ILE H H 1 7.64 0.02 . 1 . . . . 52 ILE H . 16860 1 651 . 1 1 51 51 ILE HA H 1 4.62 0.02 . 1 . . . . 52 ILE HA . 16860 1 652 . 1 1 51 51 ILE HB H 1 1.48 0.02 . 1 . . . . 52 ILE HB . 16860 1 653 . 1 1 51 51 ILE HD11 H 1 0.40 0.02 . 1 . . . . 52 ILE HD1 . 16860 1 654 . 1 1 51 51 ILE HD12 H 1 0.40 0.02 . 1 . . . . 52 ILE HD1 . 16860 1 655 . 1 1 51 51 ILE HD13 H 1 0.40 0.02 . 1 . . . . 52 ILE HD1 . 16860 1 656 . 1 1 51 51 ILE HG12 H 1 0.91 0.02 . 2 . . . . 52 ILE HG12 . 16860 1 657 . 1 1 51 51 ILE HG13 H 1 0.72 0.02 . 2 . . . . 52 ILE HG13 . 16860 1 658 . 1 1 51 51 ILE HG21 H 1 0.67 0.02 . 1 . . . . 52 ILE HG2 . 16860 1 659 . 1 1 51 51 ILE HG22 H 1 0.67 0.02 . 1 . . . . 52 ILE HG2 . 16860 1 660 . 1 1 51 51 ILE HG23 H 1 0.67 0.02 . 1 . . . . 52 ILE HG2 . 16860 1 661 . 1 1 51 51 ILE CA C 13 58.9 0.2 . 1 . . . . 52 ILE CA . 16860 1 662 . 1 1 51 51 ILE CB C 13 42.6 0.2 . 1 . . . . 52 ILE CB . 16860 1 663 . 1 1 51 51 ILE CD1 C 13 15.1 0.2 . 1 . . . . 52 ILE CD1 . 16860 1 664 . 1 1 51 51 ILE CG1 C 13 24.2 0.2 . 1 . . . . 52 ILE CG1 . 16860 1 665 . 1 1 51 51 ILE CG2 C 13 17.3 0.2 . 1 . . . . 52 ILE CG2 . 16860 1 666 . 1 1 51 51 ILE N N 15 111.0 0.2 . 1 . . . . 52 ILE N . 16860 1 667 . 1 1 52 52 LYS H H 1 8.08 0.02 . 1 . . . . 53 LYS H . 16860 1 668 . 1 1 52 52 LYS HA H 1 4.61 0.02 . 1 . . . . 53 LYS HA . 16860 1 669 . 1 1 52 52 LYS HB2 H 1 1.65 0.02 . 2 . . . . 53 LYS HB2 . 16860 1 670 . 1 1 52 52 LYS HB3 H 1 1.42 0.02 . 2 . . . . 53 LYS HB3 . 16860 1 671 . 1 1 52 52 LYS HD2 H 1 1.68 0.02 . 2 . . . . 53 LYS HD2 . 16860 1 672 . 1 1 52 52 LYS HD3 H 1 1.64 0.02 . 2 . . . . 53 LYS HD3 . 16860 1 673 . 1 1 52 52 LYS HE2 H 1 2.96 0.02 . 2 . . . . 53 LYS HE2 . 16860 1 674 . 1 1 52 52 LYS HE3 H 1 2.96 0.02 . 2 . . . . 53 LYS HE3 . 16860 1 675 . 1 1 52 52 LYS HG2 H 1 1.29 0.02 . 2 . . . . 53 LYS HG2 . 16860 1 676 . 1 1 52 52 LYS HG3 H 1 1.21 0.02 . 2 . . . . 53 LYS HG3 . 16860 1 677 . 1 1 52 52 LYS C C 13 176.3 0.2 . 1 . . . . 53 LYS C . 16860 1 678 . 1 1 52 52 LYS CA C 13 53.7 0.2 . 1 . . . . 53 LYS CA . 16860 1 679 . 1 1 52 52 LYS CB C 13 35.3 0.2 . 1 . . . . 53 LYS CB . 16860 1 680 . 1 1 52 52 LYS CD C 13 28.0 0.2 . 1 . . . . 53 LYS CD . 16860 1 681 . 1 1 52 52 LYS CE C 13 42.2 0.2 . 1 . . . . 53 LYS CE . 16860 1 682 . 1 1 52 52 LYS CG C 13 24.0 0.2 . 1 . . . . 53 LYS CG . 16860 1 683 . 1 1 52 52 LYS N N 15 118.5 0.2 . 1 . . . . 53 LYS N . 16860 1 684 . 1 1 53 53 PHE H H 1 9.61 0.02 . 1 . . . . 54 PHE H . 16860 1 685 . 1 1 53 53 PHE HA H 1 4.61 0.02 . 1 . . . . 54 PHE HA . 16860 1 686 . 1 1 53 53 PHE HB2 H 1 2.94 0.02 . 2 . . . . 54 PHE HB2 . 16860 1 687 . 1 1 53 53 PHE HB3 H 1 2.86 0.02 . 2 . . . . 54 PHE HB3 . 16860 1 688 . 1 1 53 53 PHE HD1 H 1 7.37 0.02 . 3 . . . . 54 PHE HD1 . 16860 1 689 . 1 1 53 53 PHE HD2 H 1 7.37 0.02 . 3 . . . . 54 PHE HD2 . 16860 1 690 . 1 1 53 53 PHE HE1 H 1 7.05 0.02 . 3 . . . . 54 PHE HE1 . 16860 1 691 . 1 1 53 53 PHE HE2 H 1 7.05 0.02 . 3 . . . . 54 PHE HE2 . 16860 1 692 . 1 1 53 53 PHE HZ H 1 6.90 0.02 . 1 . . . . 54 PHE HZ . 16860 1 693 . 1 1 53 53 PHE C C 13 175.5 0.2 . 1 . . . . 54 PHE C . 16860 1 694 . 1 1 53 53 PHE CA C 13 57.5 0.2 . 1 . . . . 54 PHE CA . 16860 1 695 . 1 1 53 53 PHE CB C 13 40.4 0.2 . 1 . . . . 54 PHE CB . 16860 1 696 . 1 1 53 53 PHE CD1 C 13 133.1 0.2 . 3 . . . . 54 PHE CD1 . 16860 1 697 . 1 1 53 53 PHE CD2 C 13 133.1 0.2 . 3 . . . . 54 PHE CD2 . 16860 1 698 . 1 1 53 53 PHE CE1 C 13 129.8 0.2 . 3 . . . . 54 PHE CE1 . 16860 1 699 . 1 1 53 53 PHE CE2 C 13 129.8 0.2 . 3 . . . . 54 PHE CE2 . 16860 1 700 . 1 1 53 53 PHE CZ C 13 129.0 0.2 . 1 . . . . 54 PHE CZ . 16860 1 701 . 1 1 53 53 PHE N N 15 124.0 0.2 . 1 . . . . 54 PHE N . 16860 1 702 . 1 1 54 54 ALA H H 1 9.18 0.02 . 1 . . . . 55 ALA H . 16860 1 703 . 1 1 54 54 ALA HA H 1 4.68 0.02 . 1 . . . . 55 ALA HA . 16860 1 704 . 1 1 54 54 ALA HB1 H 1 1.45 0.02 . 1 . . . . 55 ALA HB . 16860 1 705 . 1 1 54 54 ALA HB2 H 1 1.45 0.02 . 1 . . . . 55 ALA HB . 16860 1 706 . 1 1 54 54 ALA HB3 H 1 1.45 0.02 . 1 . . . . 55 ALA HB . 16860 1 707 . 1 1 54 54 ALA C C 13 178.7 0.2 . 1 . . . . 55 ALA C . 16860 1 708 . 1 1 54 54 ALA CA C 13 50.4 0.2 . 1 . . . . 55 ALA CA . 16860 1 709 . 1 1 54 54 ALA CB C 13 20.3 0.2 . 1 . . . . 55 ALA CB . 16860 1 710 . 1 1 54 54 ALA N N 15 126.6 0.2 . 1 . . . . 55 ALA N . 16860 1 711 . 1 1 55 55 LEU H H 1 8.92 0.02 . 1 . . . . 56 LEU H . 16860 1 712 . 1 1 55 55 LEU HA H 1 4.03 0.02 . 1 . . . . 56 LEU HA . 16860 1 713 . 1 1 55 55 LEU HB2 H 1 1.72 0.02 . 2 . . . . 56 LEU HB2 . 16860 1 714 . 1 1 55 55 LEU HB3 H 1 1.65 0.02 . 2 . . . . 56 LEU HB3 . 16860 1 715 . 1 1 55 55 LEU HD11 H 1 0.97 0.02 . 1 . . . . 56 LEU HD1 . 16860 1 716 . 1 1 55 55 LEU HD12 H 1 0.97 0.02 . 1 . . . . 56 LEU HD1 . 16860 1 717 . 1 1 55 55 LEU HD13 H 1 0.97 0.02 . 1 . . . . 56 LEU HD1 . 16860 1 718 . 1 1 55 55 LEU HD21 H 1 0.90 0.02 . 1 . . . . 56 LEU HD2 . 16860 1 719 . 1 1 55 55 LEU HD22 H 1 0.90 0.02 . 1 . . . . 56 LEU HD2 . 16860 1 720 . 1 1 55 55 LEU HD23 H 1 0.90 0.02 . 1 . . . . 56 LEU HD2 . 16860 1 721 . 1 1 55 55 LEU HG H 1 1.65 0.02 . 1 . . . . 56 LEU HG . 16860 1 722 . 1 1 55 55 LEU C C 13 179.7 0.2 . 1 . . . . 56 LEU C . 16860 1 723 . 1 1 55 55 LEU CA C 13 58.9 0.2 . 1 . . . . 56 LEU CA . 16860 1 724 . 1 1 55 55 LEU CB C 13 41.5 0.2 . 1 . . . . 56 LEU CB . 16860 1 725 . 1 1 55 55 LEU CD1 C 13 24.4 0.2 . 1 . . . . 56 LEU CD1 . 16860 1 726 . 1 1 55 55 LEU CD2 C 13 24.6 0.2 . 1 . . . . 56 LEU CD2 . 16860 1 727 . 1 1 55 55 LEU CG C 13 27.1 0.2 . 1 . . . . 56 LEU CG . 16860 1 728 . 1 1 55 55 LEU N N 15 124.3 0.2 . 1 . . . . 56 LEU N . 16860 1 729 . 1 1 56 56 GLY H H 1 8.94 0.02 . 1 . . . . 57 GLY H . 16860 1 730 . 1 1 56 56 GLY HA2 H 1 3.85 0.02 . 2 . . . . 57 GLY HA2 . 16860 1 731 . 1 1 56 56 GLY HA3 H 1 3.85 0.02 . 2 . . . . 57 GLY HA3 . 16860 1 732 . 1 1 56 56 GLY C C 13 176.8 0.2 . 1 . . . . 57 GLY C . 16860 1 733 . 1 1 56 56 GLY CA C 13 46.8 0.2 . 1 . . . . 57 GLY CA . 16860 1 734 . 1 1 56 56 GLY N N 15 105.2 0.2 . 1 . . . . 57 GLY N . 16860 1 735 . 1 1 57 57 GLU H H 1 7.24 0.02 . 1 . . . . 58 GLU H . 16860 1 736 . 1 1 57 57 GLU HA H 1 4.14 0.02 . 1 . . . . 58 GLU HA . 16860 1 737 . 1 1 57 57 GLU HB2 H 1 2.63 0.02 . 2 . . . . 58 GLU HB2 . 16860 1 738 . 1 1 57 57 GLU HB3 H 1 2.09 0.02 . 2 . . . . 58 GLU HB3 . 16860 1 739 . 1 1 57 57 GLU HG2 H 1 2.50 0.02 . 2 . . . . 58 GLU HG2 . 16860 1 740 . 1 1 57 57 GLU HG3 H 1 2.40 0.02 . 2 . . . . 58 GLU HG3 . 16860 1 741 . 1 1 57 57 GLU C C 13 179.4 0.2 . 1 . . . . 58 GLU C . 16860 1 742 . 1 1 57 57 GLU CA C 13 58.0 0.2 . 1 . . . . 58 GLU CA . 16860 1 743 . 1 1 57 57 GLU CB C 13 29.7 0.2 . 1 . . . . 58 GLU CB . 16860 1 744 . 1 1 57 57 GLU CG C 13 36.4 0.2 . 1 . . . . 58 GLU CG . 16860 1 745 . 1 1 57 57 GLU N N 15 117.5 0.2 . 1 . . . . 58 GLU N . 16860 1 746 . 1 1 58 58 LEU H H 1 7.74 0.02 . 1 . . . . 59 LEU H . 16860 1 747 . 1 1 58 58 LEU HA H 1 3.99 0.02 . 1 . . . . 59 LEU HA . 16860 1 748 . 1 1 58 58 LEU HB2 H 1 2.07 0.02 . 2 . . . . 59 LEU HB2 . 16860 1 749 . 1 1 58 58 LEU HB3 H 1 1.57 0.02 . 2 . . . . 59 LEU HB3 . 16860 1 750 . 1 1 58 58 LEU HD11 H 1 0.80 0.02 . 1 . . . . 59 LEU HD1 . 16860 1 751 . 1 1 58 58 LEU HD12 H 1 0.80 0.02 . 1 . . . . 59 LEU HD1 . 16860 1 752 . 1 1 58 58 LEU HD13 H 1 0.80 0.02 . 1 . . . . 59 LEU HD1 . 16860 1 753 . 1 1 58 58 LEU HD21 H 1 0.36 0.02 . 1 . . . . 59 LEU HD2 . 16860 1 754 . 1 1 58 58 LEU HD22 H 1 0.36 0.02 . 1 . . . . 59 LEU HD2 . 16860 1 755 . 1 1 58 58 LEU HD23 H 1 0.36 0.02 . 1 . . . . 59 LEU HD2 . 16860 1 756 . 1 1 58 58 LEU HG H 1 1.76 0.02 . 1 . . . . 59 LEU HG . 16860 1 757 . 1 1 58 58 LEU C C 13 180.4 0.2 . 1 . . . . 59 LEU C . 16860 1 758 . 1 1 58 58 LEU CA C 13 57.1 0.2 . 1 . . . . 59 LEU CA . 16860 1 759 . 1 1 58 58 LEU CB C 13 42.1 0.2 . 1 . . . . 59 LEU CB . 16860 1 760 . 1 1 58 58 LEU CD1 C 13 26.0 0.2 . 1 . . . . 59 LEU CD1 . 16860 1 761 . 1 1 58 58 LEU CD2 C 13 23.1 0.2 . 1 . . . . 59 LEU CD2 . 16860 1 762 . 1 1 58 58 LEU CG C 13 26.8 0.2 . 1 . . . . 59 LEU CG . 16860 1 763 . 1 1 58 58 LEU N N 15 117.9 0.2 . 1 . . . . 59 LEU N . 16860 1 764 . 1 1 59 59 GLN H H 1 7.98 0.02 . 1 . . . . 60 GLN H . 16860 1 765 . 1 1 59 59 GLN HA H 1 4.07 0.02 . 1 . . . . 60 GLN HA . 16860 1 766 . 1 1 59 59 GLN HB2 H 1 2.10 0.02 . 2 . . . . 60 GLN HB2 . 16860 1 767 . 1 1 59 59 GLN HB3 H 1 2.10 0.02 . 2 . . . . 60 GLN HB3 . 16860 1 768 . 1 1 59 59 GLN HE21 H 1 7.48 0.02 . 1 . . . . 60 GLN HE21 . 16860 1 769 . 1 1 59 59 GLN HE22 H 1 6.86 0.02 . 1 . . . . 60 GLN HE22 . 16860 1 770 . 1 1 59 59 GLN HG2 H 1 2.54 0.02 . 2 . . . . 60 GLN HG2 . 16860 1 771 . 1 1 59 59 GLN HG3 H 1 2.46 0.02 . 2 . . . . 60 GLN HG3 . 16860 1 772 . 1 1 59 59 GLN C C 13 176.8 0.2 . 1 . . . . 60 GLN C . 16860 1 773 . 1 1 59 59 GLN CA C 13 58.4 0.2 . 1 . . . . 60 GLN CA . 16860 1 774 . 1 1 59 59 GLN CB C 13 28.7 0.2 . 1 . . . . 60 GLN CB . 16860 1 775 . 1 1 59 59 GLN CD C 13 179.8 0.2 . 1 . . . . 60 GLN CD . 16860 1 776 . 1 1 59 59 GLN CG C 13 34.1 0.2 . 1 . . . . 60 GLN CG . 16860 1 777 . 1 1 59 59 GLN N N 15 116.5 0.2 . 1 . . . . 60 GLN N . 16860 1 778 . 1 1 59 59 GLN NE2 N 15 111.5 0.2 . 1 . . . . 60 GLN NE2 . 16860 1 779 . 1 1 60 60 LYS H H 1 7.04 0.02 . 1 . . . . 61 LYS H . 16860 1 780 . 1 1 60 60 LYS HA H 1 4.28 0.02 . 1 . . . . 61 LYS HA . 16860 1 781 . 1 1 60 60 LYS HB2 H 1 2.02 0.02 . 2 . . . . 61 LYS HB2 . 16860 1 782 . 1 1 60 60 LYS HB3 H 1 1.78 0.02 . 2 . . . . 61 LYS HB3 . 16860 1 783 . 1 1 60 60 LYS HD2 H 1 1.68 0.02 . 2 . . . . 61 LYS HD2 . 16860 1 784 . 1 1 60 60 LYS HD3 H 1 1.68 0.02 . 2 . . . . 61 LYS HD3 . 16860 1 785 . 1 1 60 60 LYS HE2 H 1 2.97 0.02 . 2 . . . . 61 LYS HE2 . 16860 1 786 . 1 1 60 60 LYS HE3 H 1 2.97 0.02 . 2 . . . . 61 LYS HE3 . 16860 1 787 . 1 1 60 60 LYS HG2 H 1 1.44 0.02 . 2 . . . . 61 LYS HG2 . 16860 1 788 . 1 1 60 60 LYS HG3 H 1 1.58 0.02 . 2 . . . . 61 LYS HG3 . 16860 1 789 . 1 1 60 60 LYS C C 13 176.8 0.2 . 1 . . . . 61 LYS C . 16860 1 790 . 1 1 60 60 LYS CA C 13 56.1 0.2 . 1 . . . . 61 LYS CA . 16860 1 791 . 1 1 60 60 LYS CB C 13 33.2 0.2 . 1 . . . . 61 LYS CB . 16860 1 792 . 1 1 60 60 LYS CD C 13 29.1 0.2 . 1 . . . . 61 LYS CD . 16860 1 793 . 1 1 60 60 LYS CE C 13 42.1 0.2 . 1 . . . . 61 LYS CE . 16860 1 794 . 1 1 60 60 LYS CG C 13 25.0 0.2 . 1 . . . . 61 LYS CG . 16860 1 795 . 1 1 60 60 LYS N N 15 114.3 0.2 . 1 . . . . 61 LYS N . 16860 1 796 . 1 1 61 61 LEU H H 1 7.21 0.02 . 1 . . . . 62 LEU H . 16860 1 797 . 1 1 61 61 LEU HA H 1 4.23 0.02 . 1 . . . . 62 LEU HA . 16860 1 798 . 1 1 61 61 LEU HB2 H 1 2.14 0.02 . 2 . . . . 62 LEU HB2 . 16860 1 799 . 1 1 61 61 LEU HB3 H 1 1.32 0.02 . 2 . . . . 62 LEU HB3 . 16860 1 800 . 1 1 61 61 LEU HD11 H 1 0.97 0.02 . 1 . . . . 62 LEU HD1 . 16860 1 801 . 1 1 61 61 LEU HD12 H 1 0.97 0.02 . 1 . . . . 62 LEU HD1 . 16860 1 802 . 1 1 61 61 LEU HD13 H 1 0.97 0.02 . 1 . . . . 62 LEU HD1 . 16860 1 803 . 1 1 61 61 LEU HD21 H 1 0.81 0.02 . 1 . . . . 62 LEU HD2 . 16860 1 804 . 1 1 61 61 LEU HD22 H 1 0.81 0.02 . 1 . . . . 62 LEU HD2 . 16860 1 805 . 1 1 61 61 LEU HD23 H 1 0.81 0.02 . 1 . . . . 62 LEU HD2 . 16860 1 806 . 1 1 61 61 LEU HG H 1 2.28 0.02 . 1 . . . . 62 LEU HG . 16860 1 807 . 1 1 61 61 LEU C C 13 177.7 0.2 . 1 . . . . 62 LEU C . 16860 1 808 . 1 1 61 61 LEU CA C 13 55.7 0.2 . 1 . . . . 62 LEU CA . 16860 1 809 . 1 1 61 61 LEU CB C 13 42.6 0.2 . 1 . . . . 62 LEU CB . 16860 1 810 . 1 1 61 61 LEU CD1 C 13 27.9 0.2 . 1 . . . . 62 LEU CD1 . 16860 1 811 . 1 1 61 61 LEU CD2 C 13 23.1 0.2 . 1 . . . . 62 LEU CD2 . 16860 1 812 . 1 1 61 61 LEU CG C 13 25.7 0.2 . 1 . . . . 62 LEU CG . 16860 1 813 . 1 1 61 61 LEU N N 15 117.4 0.2 . 1 . . . . 62 LEU N . 16860 1 814 . 1 1 62 62 LYS H H 1 10.08 0.02 . 1 . . . . 63 LYS H . 16860 1 815 . 1 1 62 62 LYS HA H 1 4.36 0.02 . 1 . . . . 63 LYS HA . 16860 1 816 . 1 1 62 62 LYS HB2 H 1 1.85 0.02 . 2 . . . . 63 LYS HB2 . 16860 1 817 . 1 1 62 62 LYS HB3 H 1 1.78 0.02 . 2 . . . . 63 LYS HB3 . 16860 1 818 . 1 1 62 62 LYS HD2 H 1 1.67 0.02 . 2 . . . . 63 LYS HD2 . 16860 1 819 . 1 1 62 62 LYS HD3 H 1 1.67 0.02 . 2 . . . . 63 LYS HD3 . 16860 1 820 . 1 1 62 62 LYS HE2 H 1 2.96 0.02 . 2 . . . . 63 LYS HE2 . 16860 1 821 . 1 1 62 62 LYS HE3 H 1 2.96 0.02 . 2 . . . . 63 LYS HE3 . 16860 1 822 . 1 1 62 62 LYS HG2 H 1 1.54 0.02 . 2 . . . . 63 LYS HG2 . 16860 1 823 . 1 1 62 62 LYS HG3 H 1 1.39 0.02 . 2 . . . . 63 LYS HG3 . 16860 1 824 . 1 1 62 62 LYS C C 13 175.7 0.2 . 1 . . . . 63 LYS C . 16860 1 825 . 1 1 62 62 LYS CA C 13 56.8 0.2 . 1 . . . . 63 LYS CA . 16860 1 826 . 1 1 62 62 LYS CB C 13 33.7 0.2 . 1 . . . . 63 LYS CB . 16860 1 827 . 1 1 62 62 LYS CD C 13 28.5 0.2 . 1 . . . . 63 LYS CD . 16860 1 828 . 1 1 62 62 LYS CG C 13 24.5 0.2 . 1 . . . . 63 LYS CG . 16860 1 829 . 1 1 62 62 LYS N N 15 123.9 0.2 . 1 . . . . 63 LYS N . 16860 1 830 . 1 1 63 63 ASN H H 1 7.36 0.02 . 1 . . . . 64 ASN H . 16860 1 831 . 1 1 63 63 ASN HA H 1 4.51 0.02 . 1 . . . . 64 ASN HA . 16860 1 832 . 1 1 63 63 ASN HB2 H 1 3.09 0.02 . 2 . . . . 64 ASN HB2 . 16860 1 833 . 1 1 63 63 ASN HB3 H 1 2.96 0.02 . 2 . . . . 64 ASN HB3 . 16860 1 834 . 1 1 63 63 ASN HD21 H 1 7.51 0.02 . 1 . . . . 64 ASN HD21 . 16860 1 835 . 1 1 63 63 ASN HD22 H 1 6.65 0.02 . 1 . . . . 64 ASN HD22 . 16860 1 836 . 1 1 63 63 ASN C C 13 175.2 0.2 . 1 . . . . 64 ASN C . 16860 1 837 . 1 1 63 63 ASN CA C 13 51.8 0.2 . 1 . . . . 64 ASN CA . 16860 1 838 . 1 1 63 63 ASN CB C 13 40.3 0.2 . 1 . . . . 64 ASN CB . 16860 1 839 . 1 1 63 63 ASN N N 15 110.8 0.2 . 1 . . . . 64 ASN N . 16860 1 840 . 1 1 63 63 ASN ND2 N 15 113.9 0.2 . 1 . . . . 64 ASN ND2 . 16860 1 841 . 1 1 64 64 VAL H H 1 9.13 0.02 . 1 . . . . 65 VAL H . 16860 1 842 . 1 1 64 64 VAL HA H 1 3.80 0.02 . 1 . . . . 65 VAL HA . 16860 1 843 . 1 1 64 64 VAL HB H 1 2.29 0.02 . 1 . . . . 65 VAL HB . 16860 1 844 . 1 1 64 64 VAL HG11 H 1 0.74 0.02 . 1 . . . . 65 VAL HG1 . 16860 1 845 . 1 1 64 64 VAL HG12 H 1 0.74 0.02 . 1 . . . . 65 VAL HG1 . 16860 1 846 . 1 1 64 64 VAL HG13 H 1 0.74 0.02 . 1 . . . . 65 VAL HG1 . 16860 1 847 . 1 1 64 64 VAL HG21 H 1 1.18 0.02 . 1 . . . . 65 VAL HG2 . 16860 1 848 . 1 1 64 64 VAL HG22 H 1 1.18 0.02 . 1 . . . . 65 VAL HG2 . 16860 1 849 . 1 1 64 64 VAL HG23 H 1 1.18 0.02 . 1 . . . . 65 VAL HG2 . 16860 1 850 . 1 1 64 64 VAL C C 13 176.9 0.2 . 1 . . . . 65 VAL C . 16860 1 851 . 1 1 64 64 VAL CA C 13 66.7 0.2 . 1 . . . . 65 VAL CA . 16860 1 852 . 1 1 64 64 VAL CB C 13 31.7 0.2 . 1 . . . . 65 VAL CB . 16860 1 853 . 1 1 64 64 VAL CG1 C 13 22.8 0.2 . 1 . . . . 65 VAL CG1 . 16860 1 854 . 1 1 64 64 VAL CG2 C 13 26.0 0.2 . 1 . . . . 65 VAL CG2 . 16860 1 855 . 1 1 64 64 VAL N N 15 118.4 0.2 . 1 . . . . 65 VAL N . 16860 1 856 . 1 1 65 65 GLY H H 1 9.43 0.02 . 1 . . . . 66 GLY H . 16860 1 857 . 1 1 65 65 GLY HA2 H 1 3.83 0.02 . 2 . . . . 66 GLY HA2 . 16860 1 858 . 1 1 65 65 GLY HA3 H 1 3.62 0.02 . 2 . . . . 66 GLY HA3 . 16860 1 859 . 1 1 65 65 GLY C C 13 174.9 0.2 . 1 . . . . 66 GLY C . 16860 1 860 . 1 1 65 65 GLY CA C 13 47.0 0.2 . 1 . . . . 66 GLY CA . 16860 1 861 . 1 1 65 65 GLY N N 15 112.0 0.2 . 1 . . . . 66 GLY N . 16860 1 862 . 1 1 66 66 ASP H H 1 8.36 0.02 . 1 . . . . 67 ASP H . 16860 1 863 . 1 1 66 66 ASP HA H 1 4.39 0.02 . 1 . . . . 67 ASP HA . 16860 1 864 . 1 1 66 66 ASP HB2 H 1 2.92 0.02 . 2 . . . . 67 ASP HB2 . 16860 1 865 . 1 1 66 66 ASP HB3 H 1 2.92 0.02 . 2 . . . . 67 ASP HB3 . 16860 1 866 . 1 1 66 66 ASP C C 13 179.6 0.2 . 1 . . . . 67 ASP C . 16860 1 867 . 1 1 66 66 ASP CA C 13 57.3 0.2 . 1 . . . . 67 ASP CA . 16860 1 868 . 1 1 66 66 ASP CB C 13 41.9 0.2 . 1 . . . . 67 ASP CB . 16860 1 869 . 1 1 66 66 ASP N N 15 120.1 0.2 . 1 . . . . 67 ASP N . 16860 1 870 . 1 1 67 67 LEU H H 1 7.65 0.02 . 1 . . . . 68 LEU H . 16860 1 871 . 1 1 67 67 LEU HA H 1 4.11 0.02 . 1 . . . . 68 LEU HA . 16860 1 872 . 1 1 67 67 LEU HB2 H 1 1.76 0.02 . 2 . . . . 68 LEU HB2 . 16860 1 873 . 1 1 67 67 LEU HB3 H 1 2.38 0.02 . 2 . . . . 68 LEU HB3 . 16860 1 874 . 1 1 67 67 LEU HD11 H 1 0.72 0.02 . 1 . . . . 68 LEU HD1 . 16860 1 875 . 1 1 67 67 LEU HD12 H 1 0.72 0.02 . 1 . . . . 68 LEU HD1 . 16860 1 876 . 1 1 67 67 LEU HD13 H 1 0.72 0.02 . 1 . . . . 68 LEU HD1 . 16860 1 877 . 1 1 67 67 LEU HD21 H 1 1.03 0.02 . 1 . . . . 68 LEU HD2 . 16860 1 878 . 1 1 67 67 LEU HD22 H 1 1.03 0.02 . 1 . . . . 68 LEU HD2 . 16860 1 879 . 1 1 67 67 LEU HD23 H 1 1.03 0.02 . 1 . . . . 68 LEU HD2 . 16860 1 880 . 1 1 67 67 LEU HG H 1 1.51 0.02 . 1 . . . . 68 LEU HG . 16860 1 881 . 1 1 67 67 LEU CA C 13 58.4 0.2 . 1 . . . . 68 LEU CA . 16860 1 882 . 1 1 67 67 LEU CB C 13 42.2 0.2 . 1 . . . . 68 LEU CB . 16860 1 883 . 1 1 67 67 LEU CD1 C 13 22.4 0.2 . 1 . . . . 68 LEU CD1 . 16860 1 884 . 1 1 67 67 LEU CD2 C 13 26.0 0.2 . 1 . . . . 68 LEU CD2 . 16860 1 885 . 1 1 67 67 LEU CG C 13 27.3 0.2 . 1 . . . . 68 LEU CG . 16860 1 886 . 1 1 67 67 LEU N N 15 122.3 0.2 . 1 . . . . 68 LEU N . 16860 1 887 . 1 1 68 68 ALA H H 1 9.27 0.02 . 1 . . . . 69 ALA H . 16860 1 888 . 1 1 68 68 ALA HA H 1 3.69 0.02 . 1 . . . . 69 ALA HA . 16860 1 889 . 1 1 68 68 ALA HB1 H 1 1.44 0.02 . 1 . . . . 69 ALA HB . 16860 1 890 . 1 1 68 68 ALA HB2 H 1 1.44 0.02 . 1 . . . . 69 ALA HB . 16860 1 891 . 1 1 68 68 ALA HB3 H 1 1.44 0.02 . 1 . . . . 69 ALA HB . 16860 1 892 . 1 1 68 68 ALA C C 13 178.9 0.2 . 1 . . . . 69 ALA C . 16860 1 893 . 1 1 68 68 ALA CA C 13 55.8 0.2 . 1 . . . . 69 ALA CA . 16860 1 894 . 1 1 68 68 ALA CB C 13 17.8 0.2 . 1 . . . . 69 ALA CB . 16860 1 895 . 1 1 68 68 ALA N N 15 122.9 0.2 . 1 . . . . 69 ALA N . 16860 1 896 . 1 1 69 69 ASP H H 1 8.46 0.02 . 1 . . . . 70 ASP H . 16860 1 897 . 1 1 69 69 ASP HA H 1 4.24 0.02 . 1 . . . . 70 ASP HA . 16860 1 898 . 1 1 69 69 ASP HB2 H 1 2.86 0.02 . 2 . . . . 70 ASP HB2 . 16860 1 899 . 1 1 69 69 ASP HB3 H 1 2.73 0.02 . 2 . . . . 70 ASP HB3 . 16860 1 900 . 1 1 69 69 ASP C C 13 178.8 0.2 . 1 . . . . 70 ASP C . 16860 1 901 . 1 1 69 69 ASP CA C 13 57.0 0.2 . 1 . . . . 70 ASP CA . 16860 1 902 . 1 1 69 69 ASP CB C 13 39.8 0.2 . 1 . . . . 70 ASP CB . 16860 1 903 . 1 1 69 69 ASP N N 15 117.2 0.2 . 1 . . . . 70 ASP N . 16860 1 904 . 1 1 70 70 LEU H H 1 8.02 0.02 . 1 . . . . 71 LEU H . 16860 1 905 . 1 1 70 70 LEU HA H 1 4.33 0.02 . 1 . . . . 71 LEU HA . 16860 1 906 . 1 1 70 70 LEU HB2 H 1 2.20 0.02 . 2 . . . . 71 LEU HB2 . 16860 1 907 . 1 1 70 70 LEU HB3 H 1 1.69 0.02 . 2 . . . . 71 LEU HB3 . 16860 1 908 . 1 1 70 70 LEU HD11 H 1 1.10 0.02 . 1 . . . . 71 LEU HD1 . 16860 1 909 . 1 1 70 70 LEU HD12 H 1 1.10 0.02 . 1 . . . . 71 LEU HD1 . 16860 1 910 . 1 1 70 70 LEU HD13 H 1 1.10 0.02 . 1 . . . . 71 LEU HD1 . 16860 1 911 . 1 1 70 70 LEU HD21 H 1 1.08 0.02 . 1 . . . . 71 LEU HD2 . 16860 1 912 . 1 1 70 70 LEU HD22 H 1 1.08 0.02 . 1 . . . . 71 LEU HD2 . 16860 1 913 . 1 1 70 70 LEU HD23 H 1 1.08 0.02 . 1 . . . . 71 LEU HD2 . 16860 1 914 . 1 1 70 70 LEU HG H 1 1.58 0.02 . 1 . . . . 71 LEU HG . 16860 1 915 . 1 1 70 70 LEU C C 13 178.6 0.2 . 1 . . . . 71 LEU C . 16860 1 916 . 1 1 70 70 LEU CA C 13 58.0 0.2 . 1 . . . . 71 LEU CA . 16860 1 917 . 1 1 70 70 LEU CB C 13 41.5 0.2 . 1 . . . . 71 LEU CB . 16860 1 918 . 1 1 70 70 LEU CD1 C 13 22.8 0.2 . 1 . . . . 71 LEU CD1 . 16860 1 919 . 1 1 70 70 LEU CD2 C 13 27.9 0.2 . 1 . . . . 71 LEU CD2 . 16860 1 920 . 1 1 70 70 LEU CG C 13 27.8 0.2 . 1 . . . . 71 LEU CG . 16860 1 921 . 1 1 70 70 LEU N N 15 123.1 0.2 . 1 . . . . 71 LEU N . 16860 1 922 . 1 1 71 71 VAL H H 1 8.62 0.02 . 1 . . . . 72 VAL H . 16860 1 923 . 1 1 71 71 VAL HA H 1 3.19 0.02 . 1 . . . . 72 VAL HA . 16860 1 924 . 1 1 71 71 VAL HB H 1 2.13 0.02 . 1 . . . . 72 VAL HB . 16860 1 925 . 1 1 71 71 VAL HG11 H 1 0.21 0.02 . 1 . . . . 72 VAL HG1 . 16860 1 926 . 1 1 71 71 VAL HG12 H 1 0.21 0.02 . 1 . . . . 72 VAL HG1 . 16860 1 927 . 1 1 71 71 VAL HG13 H 1 0.21 0.02 . 1 . . . . 72 VAL HG1 . 16860 1 928 . 1 1 71 71 VAL HG21 H 1 1.03 0.02 . 1 . . . . 72 VAL HG2 . 16860 1 929 . 1 1 71 71 VAL HG22 H 1 1.03 0.02 . 1 . . . . 72 VAL HG2 . 16860 1 930 . 1 1 71 71 VAL HG23 H 1 1.03 0.02 . 1 . . . . 72 VAL HG2 . 16860 1 931 . 1 1 71 71 VAL C C 13 177.4 0.2 . 1 . . . . 72 VAL C . 16860 1 932 . 1 1 71 71 VAL CA C 13 68.0 0.2 . 1 . . . . 72 VAL CA . 16860 1 933 . 1 1 71 71 VAL CB C 13 31.1 0.2 . 1 . . . . 72 VAL CB . 16860 1 934 . 1 1 71 71 VAL CG1 C 13 20.7 0.2 . 1 . . . . 72 VAL CG1 . 16860 1 935 . 1 1 71 71 VAL CG2 C 13 23.4 0.2 . 1 . . . . 72 VAL CG2 . 16860 1 936 . 1 1 71 71 VAL N N 15 120.0 0.2 . 1 . . . . 72 VAL N . 16860 1 937 . 1 1 72 72 ASP H H 1 8.07 0.02 . 1 . . . . 73 ASP H . 16860 1 938 . 1 1 72 72 ASP HA H 1 4.31 0.02 . 1 . . . . 73 ASP HA . 16860 1 939 . 1 1 72 72 ASP HB2 H 1 2.88 0.02 . 2 . . . . 73 ASP HB2 . 16860 1 940 . 1 1 72 72 ASP HB3 H 1 2.63 0.02 . 2 . . . . 73 ASP HB3 . 16860 1 941 . 1 1 72 72 ASP C C 13 179.4 0.2 . 1 . . . . 73 ASP C . 16860 1 942 . 1 1 72 72 ASP CA C 13 58.2 0.2 . 1 . . . . 73 ASP CA . 16860 1 943 . 1 1 72 72 ASP CB C 13 39.8 0.2 . 1 . . . . 73 ASP CB . 16860 1 944 . 1 1 72 72 ASP N N 15 118.0 0.2 . 1 . . . . 73 ASP N . 16860 1 945 . 1 1 73 73 LYS H H 1 8.00 0.02 . 1 . . . . 74 LYS H . 16860 1 946 . 1 1 73 73 LYS HA H 1 4.07 0.02 . 1 . . . . 74 LYS HA . 16860 1 947 . 1 1 73 73 LYS HB2 H 1 2.03 0.02 . 2 . . . . 74 LYS HB2 . 16860 1 948 . 1 1 73 73 LYS HB3 H 1 2.03 0.02 . 2 . . . . 74 LYS HB3 . 16860 1 949 . 1 1 73 73 LYS HD2 H 1 1.69 0.02 . 2 . . . . 74 LYS HD2 . 16860 1 950 . 1 1 73 73 LYS HD3 H 1 1.69 0.02 . 2 . . . . 74 LYS HD3 . 16860 1 951 . 1 1 73 73 LYS HE2 H 1 2.95 0.02 . 2 . . . . 74 LYS HE2 . 16860 1 952 . 1 1 73 73 LYS HE3 H 1 2.95 0.02 . 2 . . . . 74 LYS HE3 . 16860 1 953 . 1 1 73 73 LYS HG2 H 1 1.65 0.02 . 2 . . . . 74 LYS HG2 . 16860 1 954 . 1 1 73 73 LYS HG3 H 1 1.45 0.02 . 2 . . . . 74 LYS HG3 . 16860 1 955 . 1 1 73 73 LYS C C 13 179.6 0.2 . 1 . . . . 74 LYS C . 16860 1 956 . 1 1 73 73 LYS CA C 13 59.7 0.2 . 1 . . . . 74 LYS CA . 16860 1 957 . 1 1 73 73 LYS CB C 13 32.5 0.2 . 1 . . . . 74 LYS CB . 16860 1 958 . 1 1 73 73 LYS CD C 13 29.3 0.2 . 1 . . . . 74 LYS CD . 16860 1 959 . 1 1 73 73 LYS CE C 13 42.1 0.2 . 1 . . . . 74 LYS CE . 16860 1 960 . 1 1 73 73 LYS CG C 13 25.1 0.2 . 1 . . . . 74 LYS CG . 16860 1 961 . 1 1 73 73 LYS N N 15 121.8 0.2 . 1 . . . . 74 LYS N . 16860 1 962 . 1 1 74 74 LYS H H 1 8.41 0.02 . 1 . . . . 75 LYS H . 16860 1 963 . 1 1 74 74 LYS HA H 1 3.98 0.02 . 1 . . . . 75 LYS HA . 16860 1 964 . 1 1 74 74 LYS HB2 H 1 1.86 0.02 . 2 . . . . 75 LYS HB2 . 16860 1 965 . 1 1 74 74 LYS HB3 H 1 1.64 0.02 . 2 . . . . 75 LYS HB3 . 16860 1 966 . 1 1 74 74 LYS HD2 H 1 1.39 0.02 . 2 . . . . 75 LYS HD2 . 16860 1 967 . 1 1 74 74 LYS HD3 H 1 1.39 0.02 . 2 . . . . 75 LYS HD3 . 16860 1 968 . 1 1 74 74 LYS HE2 H 1 2.47 0.02 . 2 . . . . 75 LYS HE2 . 16860 1 969 . 1 1 74 74 LYS HE3 H 1 2.66 0.02 . 2 . . . . 75 LYS HE3 . 16860 1 970 . 1 1 74 74 LYS HG2 H 1 1.63 0.02 . 2 . . . . 75 LYS HG2 . 16860 1 971 . 1 1 74 74 LYS HG3 H 1 1.51 0.02 . 2 . . . . 75 LYS HG3 . 16860 1 972 . 1 1 74 74 LYS C C 13 180.3 0.2 . 1 . . . . 75 LYS C . 16860 1 973 . 1 1 74 74 LYS CA C 13 58.9 0.2 . 1 . . . . 75 LYS CA . 16860 1 974 . 1 1 74 74 LYS CB C 13 32.2 0.2 . 1 . . . . 75 LYS CB . 16860 1 975 . 1 1 74 74 LYS CD C 13 28.4 0.2 . 1 . . . . 75 LYS CD . 16860 1 976 . 1 1 74 74 LYS CE C 13 41.6 0.2 . 1 . . . . 75 LYS CE . 16860 1 977 . 1 1 74 74 LYS CG C 13 25.0 0.2 . 1 . . . . 75 LYS CG . 16860 1 978 . 1 1 74 74 LYS N N 15 119.5 0.2 . 1 . . . . 75 LYS N . 16860 1 979 . 1 1 75 75 LEU H H 1 8.63 0.02 . 1 . . . . 76 LEU H . 16860 1 980 . 1 1 75 75 LEU HA H 1 3.99 0.02 . 1 . . . . 76 LEU HA . 16860 1 981 . 1 1 75 75 LEU HB2 H 1 1.88 0.02 . 2 . . . . 76 LEU HB2 . 16860 1 982 . 1 1 75 75 LEU HB3 H 1 1.44 0.02 . 2 . . . . 76 LEU HB3 . 16860 1 983 . 1 1 75 75 LEU HD11 H 1 0.74 0.02 . 1 . . . . 76 LEU HD1 . 16860 1 984 . 1 1 75 75 LEU HD12 H 1 0.74 0.02 . 1 . . . . 76 LEU HD1 . 16860 1 985 . 1 1 75 75 LEU HD13 H 1 0.74 0.02 . 1 . . . . 76 LEU HD1 . 16860 1 986 . 1 1 75 75 LEU HD21 H 1 0.91 0.02 . 1 . . . . 76 LEU HD2 . 16860 1 987 . 1 1 75 75 LEU HD22 H 1 0.91 0.02 . 1 . . . . 76 LEU HD2 . 16860 1 988 . 1 1 75 75 LEU HD23 H 1 0.91 0.02 . 1 . . . . 76 LEU HD2 . 16860 1 989 . 1 1 75 75 LEU HG H 1 1.74 0.02 . 1 . . . . 76 LEU HG . 16860 1 990 . 1 1 75 75 LEU C C 13 179.3 0.2 . 1 . . . . 76 LEU C . 16860 1 991 . 1 1 75 75 LEU CA C 13 57.4 0.2 . 1 . . . . 76 LEU CA . 16860 1 992 . 1 1 75 75 LEU CB C 13 41.7 0.2 . 1 . . . . 76 LEU CB . 16860 1 993 . 1 1 75 75 LEU CD1 C 13 25.7 0.2 . 1 . . . . 76 LEU CD1 . 16860 1 994 . 1 1 75 75 LEU CD2 C 13 22.9 0.2 . 1 . . . . 76 LEU CD2 . 16860 1 995 . 1 1 75 75 LEU CG C 13 26.8 0.2 . 1 . . . . 76 LEU CG . 16860 1 996 . 1 1 75 75 LEU N N 15 120.5 0.2 . 1 . . . . 76 LEU N . 16860 1 997 . 1 1 76 76 ALA H H 1 7.89 0.02 . 1 . . . . 77 ALA H . 16860 1 998 . 1 1 76 76 ALA HA H 1 4.14 0.02 . 1 . . . . 77 ALA HA . 16860 1 999 . 1 1 76 76 ALA HB1 H 1 1.48 0.02 . 1 . . . . 77 ALA HB . 16860 1 1000 . 1 1 76 76 ALA HB2 H 1 1.48 0.02 . 1 . . . . 77 ALA HB . 16860 1 1001 . 1 1 76 76 ALA HB3 H 1 1.48 0.02 . 1 . . . . 77 ALA HB . 16860 1 1002 . 1 1 76 76 ALA C C 13 180.0 0.2 . 1 . . . . 77 ALA C . 16860 1 1003 . 1 1 76 76 ALA CA C 13 54.6 0.2 . 1 . . . . 77 ALA CA . 16860 1 1004 . 1 1 76 76 ALA CB C 13 18.0 0.2 . 1 . . . . 77 ALA CB . 16860 1 1005 . 1 1 76 76 ALA N N 15 122.0 0.2 . 1 . . . . 77 ALA N . 16860 1 1006 . 1 1 77 77 ARG H H 1 7.70 0.02 . 1 . . . . 78 ARG H . 16860 1 1007 . 1 1 77 77 ARG HA H 1 4.16 0.02 . 1 . . . . 78 ARG HA . 16860 1 1008 . 1 1 77 77 ARG HB2 H 1 1.86 0.02 . 2 . . . . 78 ARG HB2 . 16860 1 1009 . 1 1 77 77 ARG HB3 H 1 1.93 0.02 . 2 . . . . 78 ARG HB3 . 16860 1 1010 . 1 1 77 77 ARG HD2 H 1 3.19 0.02 . 2 . . . . 78 ARG HD2 . 16860 1 1011 . 1 1 77 77 ARG HD3 H 1 3.19 0.02 . 2 . . . . 78 ARG HD3 . 16860 1 1012 . 1 1 77 77 ARG HG2 H 1 1.75 0.02 . 2 . . . . 78 ARG HG2 . 16860 1 1013 . 1 1 77 77 ARG HG3 H 1 1.75 0.02 . 2 . . . . 78 ARG HG3 . 16860 1 1014 . 1 1 77 77 ARG C C 13 177.8 0.2 . 1 . . . . 78 ARG C . 16860 1 1015 . 1 1 77 77 ARG CA C 13 57.6 0.2 . 1 . . . . 78 ARG CA . 16860 1 1016 . 1 1 77 77 ARG CB C 13 30.2 0.2 . 1 . . . . 78 ARG CB . 16860 1 1017 . 1 1 77 77 ARG CD C 13 43.4 0.2 . 1 . . . . 78 ARG CD . 16860 1 1018 . 1 1 77 77 ARG CG C 13 27.0 0.2 . 1 . . . . 78 ARG CG . 16860 1 1019 . 1 1 77 77 ARG N N 15 117.3 0.2 . 1 . . . . 78 ARG N . 16860 1 1020 . 1 1 78 78 LYS H H 1 7.63 0.02 . 1 . . . . 79 LYS H . 16860 1 1021 . 1 1 78 78 LYS HA H 1 4.15 0.02 . 1 . . . . 79 LYS HA . 16860 1 1022 . 1 1 78 78 LYS HB2 H 1 1.92 0.02 . 2 . . . . 79 LYS HB2 . 16860 1 1023 . 1 1 78 78 LYS HB3 H 1 1.87 0.02 . 2 . . . . 79 LYS HB3 . 16860 1 1024 . 1 1 78 78 LYS HD2 H 1 1.69 0.02 . 2 . . . . 79 LYS HD2 . 16860 1 1025 . 1 1 78 78 LYS HD3 H 1 1.69 0.02 . 2 . . . . 79 LYS HD3 . 16860 1 1026 . 1 1 78 78 LYS HE2 H 1 3.01 0.02 . 2 . . . . 79 LYS HE2 . 16860 1 1027 . 1 1 78 78 LYS HE3 H 1 3.01 0.02 . 2 . . . . 79 LYS HE3 . 16860 1 1028 . 1 1 78 78 LYS HG2 H 1 1.45 0.02 . 2 . . . . 79 LYS HG2 . 16860 1 1029 . 1 1 78 78 LYS HG3 H 1 1.65 0.02 . 2 . . . . 79 LYS HG3 . 16860 1 1030 . 1 1 78 78 LYS C C 13 177.6 0.2 . 1 . . . . 79 LYS C . 16860 1 1031 . 1 1 78 78 LYS CA C 13 58.1 0.2 . 1 . . . . 79 LYS CA . 16860 1 1032 . 1 1 78 78 LYS CB C 13 32.6 0.2 . 1 . . . . 79 LYS CB . 16860 1 1033 . 1 1 78 78 LYS CD C 13 29.4 0.2 . 1 . . . . 79 LYS CD . 16860 1 1034 . 1 1 78 78 LYS CE C 13 42.1 0.2 . 1 . . . . 79 LYS CE . 16860 1 1035 . 1 1 78 78 LYS CG C 13 24.8 0.2 . 1 . . . . 79 LYS CG . 16860 1 1036 . 1 1 78 78 LYS N N 15 119.0 0.2 . 1 . . . . 79 LYS N . 16860 1 1037 . 1 1 79 79 LEU H H 1 7.75 0.02 . 1 . . . . 80 LEU H . 16860 1 1038 . 1 1 79 79 LEU HA H 1 4.24 0.02 . 1 . . . . 80 LEU HA . 16860 1 1039 . 1 1 79 79 LEU HB2 H 1 1.70 0.02 . 2 . . . . 80 LEU HB2 . 16860 1 1040 . 1 1 79 79 LEU HB3 H 1 1.58 0.02 . 2 . . . . 80 LEU HB3 . 16860 1 1041 . 1 1 79 79 LEU HD11 H 1 0.89 0.02 . 1 . . . . 80 LEU HD1 . 16860 1 1042 . 1 1 79 79 LEU HD12 H 1 0.89 0.02 . 1 . . . . 80 LEU HD1 . 16860 1 1043 . 1 1 79 79 LEU HD13 H 1 0.89 0.02 . 1 . . . . 80 LEU HD1 . 16860 1 1044 . 1 1 79 79 LEU HD21 H 1 0.83 0.02 . 1 . . . . 80 LEU HD2 . 16860 1 1045 . 1 1 79 79 LEU HD22 H 1 0.83 0.02 . 1 . . . . 80 LEU HD2 . 16860 1 1046 . 1 1 79 79 LEU HD23 H 1 0.83 0.02 . 1 . . . . 80 LEU HD2 . 16860 1 1047 . 1 1 79 79 LEU HG H 1 1.66 0.02 . 1 . . . . 80 LEU HG . 16860 1 1048 . 1 1 79 79 LEU C C 13 177.8 0.2 . 1 . . . . 80 LEU C . 16860 1 1049 . 1 1 79 79 LEU CA C 13 55.7 0.2 . 1 . . . . 80 LEU CA . 16860 1 1050 . 1 1 79 79 LEU CB C 13 42.1 0.2 . 1 . . . . 80 LEU CB . 16860 1 1051 . 1 1 79 79 LEU CD1 C 13 25.0 0.2 . 1 . . . . 80 LEU CD1 . 16860 1 1052 . 1 1 79 79 LEU CD2 C 13 23.1 0.2 . 1 . . . . 80 LEU CD2 . 16860 1 1053 . 1 1 79 79 LEU CG C 13 27.0 0.2 . 1 . . . . 80 LEU CG . 16860 1 1054 . 1 1 79 79 LEU N N 15 119.7 0.2 . 1 . . . . 80 LEU N . 16860 1 1055 . 1 1 80 80 GLU H H 1 7.88 0.02 . 1 . . . . 81 GLU H . 16860 1 1056 . 1 1 80 80 GLU HA H 1 4.12 0.02 . 1 . . . . 81 GLU HA . 16860 1 1057 . 1 1 80 80 GLU HB2 H 1 1.94 0.02 . 2 . . . . 81 GLU HB2 . 16860 1 1058 . 1 1 80 80 GLU HB3 H 1 1.94 0.02 . 2 . . . . 81 GLU HB3 . 16860 1 1059 . 1 1 80 80 GLU HG2 H 1 2.27 0.02 . 2 . . . . 81 GLU HG2 . 16860 1 1060 . 1 1 80 80 GLU HG3 H 1 2.15 0.02 . 2 . . . . 81 GLU HG3 . 16860 1 1061 . 1 1 80 80 GLU C C 13 176.6 0.2 . 1 . . . . 81 GLU C . 16860 1 1062 . 1 1 80 80 GLU CA C 13 57.1 0.2 . 1 . . . . 81 GLU CA . 16860 1 1063 . 1 1 80 80 GLU CB C 13 30.2 0.2 . 1 . . . . 81 GLU CB . 16860 1 1064 . 1 1 80 80 GLU CG C 13 36.0 0.2 . 1 . . . . 81 GLU CG . 16860 1 1065 . 1 1 80 80 GLU N N 15 119.7 0.2 . 1 . . . . 81 GLU N . 16860 1 1066 . 1 1 81 81 HIS H H 1 8.13 0.02 . 1 . . . . 82 HIS H . 16860 1 1067 . 1 1 81 81 HIS HA H 1 4.51 0.02 . 1 . . . . 82 HIS HA . 16860 1 1068 . 1 1 81 81 HIS HB2 H 1 3.02 0.02 . 2 . . . . 82 HIS HB2 . 16860 1 1069 . 1 1 81 81 HIS HB3 H 1 3.02 0.02 . 2 . . . . 82 HIS HB3 . 16860 1 1070 . 1 1 81 81 HIS CA C 13 56.3 0.2 . 1 . . . . 82 HIS CA . 16860 1 1071 . 1 1 81 81 HIS CB C 13 30.5 0.2 . 1 . . . . 82 HIS CB . 16860 1 1072 . 1 1 81 81 HIS N N 15 119.0 0.2 . 1 . . . . 82 HIS N . 16860 1 1073 . 2 2 1 1 PNS C28 C 13 73.7 0.2 . 1 . . . . 1 PNS C28 . 16860 1 1074 . 2 2 1 1 PNS C30 C 13 17.7 0.2 . 1 . . . . 1 PNS C30 . 16860 1 1075 . 2 2 1 1 PNS C31 C 13 23.2 0.2 . 1 . . . . 1 PNS C31 . 16860 1 1076 . 2 2 1 1 PNS C32 C 13 75.4 0.2 . 1 . . . . 1 PNS C32 . 16860 1 1077 . 2 2 1 1 PNS C34 C 13 177.2 0.2 . 1 . . . . 1 PNS C34 . 16860 1 1078 . 2 2 1 1 PNS N36 N 15 117.8 0.2 . 1 . . . . 1 PNS N36 . 16860 1 1079 . 2 2 1 1 PNS C37 C 13 38.3 0.2 . 1 . . . . 1 PNS C37 . 16860 1 1080 . 2 2 1 1 PNS C38 C 13 38.0 0.2 . 1 . . . . 1 PNS C38 . 16860 1 1081 . 2 2 1 1 PNS C39 C 13 174.4 0.2 . 1 . . . . 1 PNS C39 . 16860 1 1082 . 2 2 1 1 PNS N41 N 15 124.1 0.2 . 1 . . . . 1 PNS N41 . 16860 1 1083 . 2 2 1 1 PNS C42 C 13 45.3 0.2 . 1 . . . . 1 PNS C42 . 16860 1 1084 . 2 2 1 1 PNS C43 C 13 25.4 0.2 . 1 . . . . 1 PNS C43 . 16860 1 1085 . 2 2 1 1 PNS H282 H 1 3.71 0.02 . 2 . . . . 1 PNS H282 . 16860 1 1086 . 2 2 1 1 PNS H281 H 1 2.80 0.02 . 2 . . . . 1 PNS H281 . 16860 1 1087 . 2 2 1 1 PNS H303 H 1 -0.41 0.02 . 2 . . . . 1 PNS H303 . 16860 1 1088 . 2 2 1 1 PNS H302 H 1 -0.41 0.02 . 2 . . . . 1 PNS H302 . 16860 1 1089 . 2 2 1 1 PNS H301 H 1 -0.41 0.02 . 2 . . . . 1 PNS H301 . 16860 1 1090 . 2 2 1 1 PNS H313 H 1 0.26 0.02 . 2 . . . . 1 PNS H313 . 16860 1 1091 . 2 2 1 1 PNS H312 H 1 0.26 0.02 . 2 . . . . 1 PNS H312 . 16860 1 1092 . 2 2 1 1 PNS H311 H 1 0.26 0.02 . 2 . . . . 1 PNS H311 . 16860 1 1093 . 2 2 1 1 PNS H32 H 1 3.80 0.02 . 1 . . . . 1 PNS H32 . 16860 1 1094 . 2 2 1 1 PNS H36 H 1 7.37 0.02 . 1 . . . . 1 PNS H36 . 16860 1 1095 . 2 2 1 1 PNS H372 H 1 2.40 0.02 . 2 . . . . 1 PNS H372 . 16860 1 1096 . 2 2 1 1 PNS H371 H 1 2.40 0.02 . 2 . . . . 1 PNS H371 . 16860 1 1097 . 2 2 1 1 PNS H382 H 1 3.62 0.02 . 2 . . . . 1 PNS H382 . 16860 1 1098 . 2 2 1 1 PNS H381 H 1 2.94 0.02 . 2 . . . . 1 PNS H381 . 16860 1 1099 . 2 2 1 1 PNS H41 H 1 7.26 0.02 . 1 . . . . 1 PNS H41 . 16860 1 1100 . 2 2 1 1 PNS H422 H 1 3.02 0.02 . 2 . . . . 1 PNS H422 . 16860 1 1101 . 2 2 1 1 PNS H421 H 1 2.80 0.02 . 2 . . . . 1 PNS H421 . 16860 1 1102 . 2 2 1 1 PNS H431 H 1 2.45 0.02 . 2 . . . . 1 PNS H431 . 16860 1 1103 . 2 2 1 1 PNS H432 H 1 2.20 0.02 . 2 . . . . 1 PNS H432 . 16860 1 stop_ save_