################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5796 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HSQC . . . 5796 1 2 HNCA . . . 5796 1 3 HNCACB . . . 5796 1 4 CBCA(CO)NH . . . 5796 1 5 HBHA(CO)NH . . . 5796 1 6 HNHA . . . 5796 1 7 '15-N NOESY' . . . 5796 1 8 'HCCH TOCSY' . . . 5796 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 7 7 LYS N N 15 123.1 0.1 . 1 . . . . . . . . 5796 1 2 . 1 1 7 7 LYS H H 1 8.25 0.03 . 1 . . . . . . . . 5796 1 3 . 1 1 7 7 LYS CA C 13 59.8 0.1 . 1 . . . . . . . . 5796 1 4 . 1 1 7 7 LYS HA H 1 3.92 0.03 . 1 . . . . . . . . 5796 1 5 . 1 1 7 7 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5796 1 6 . 1 1 7 7 LYS HB2 H 1 1.83 0.03 . 2 . . . . . . . . 5796 1 7 . 1 1 8 8 GLU N N 15 118.3 0.1 . 1 . . . . . . . . 5796 1 8 . 1 1 8 8 GLU H H 1 8.49 0.03 . 1 . . . . . . . . 5796 1 9 . 1 1 8 8 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5796 1 10 . 1 1 8 8 GLU HA H 1 4.18 0.03 . 1 . . . . . . . . 5796 1 11 . 1 1 8 8 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 5796 1 12 . 1 1 8 8 GLU HB2 H 1 1.84 0.03 . 2 . . . . . . . . 5796 1 13 . 1 1 8 8 GLU HB3 H 1 2.07 0.03 . 2 . . . . . . . . 5796 1 14 . 1 1 8 8 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5796 1 15 . 1 1 8 8 GLU HG2 H 1 2.30 0.03 . 2 . . . . . . . . 5796 1 16 . 1 1 8 8 GLU HG3 H 1 2.40 0.03 . 2 . . . . . . . . 5796 1 17 . 1 1 9 9 ARG N N 15 119.3 0.1 . 1 . . . . . . . . 5796 1 18 . 1 1 9 9 ARG H H 1 7.56 0.03 . 1 . . . . . . . . 5796 1 19 . 1 1 9 9 ARG CA C 13 58.6 0.1 . 1 . . . . . . . . 5796 1 20 . 1 1 9 9 ARG HA H 1 4.15 0.03 . 1 . . . . . . . . 5796 1 21 . 1 1 9 9 ARG CB C 13 30.0 0.1 . 1 . . . . . . . . 5796 1 22 . 1 1 9 9 ARG HB2 H 1 1.89 0.03 . 2 . . . . . . . . 5796 1 23 . 1 1 9 9 ARG HB3 H 1 2.00 0.03 . 2 . . . . . . . . 5796 1 24 . 1 1 9 9 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5796 1 25 . 1 1 9 9 ARG HG2 H 1 1.66 0.03 . 2 . . . . . . . . 5796 1 26 . 1 1 9 9 ARG HG3 H 1 1.76 0.03 . 2 . . . . . . . . 5796 1 27 . 1 1 9 9 ARG CD C 13 43.0 0.1 . 1 . . . . . . . . 5796 1 28 . 1 1 9 9 ARG HD2 H 1 3.16 0.03 . 2 . . . . . . . . 5796 1 29 . 1 1 9 9 ARG HD3 H 1 3.23 0.03 . 2 . . . . . . . . 5796 1 30 . 1 1 10 10 LEU N N 15 120.9 0.1 . 1 . . . . . . . . 5796 1 31 . 1 1 10 10 LEU H H 1 7.75 0.03 . 1 . . . . . . . . 5796 1 32 . 1 1 10 10 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 5796 1 33 . 1 1 10 10 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 5796 1 34 . 1 1 10 10 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5796 1 35 . 1 1 10 10 LEU HB2 H 1 1.59 0.03 . 2 . . . . . . . . 5796 1 36 . 1 1 10 10 LEU HB3 H 1 1.79 0.03 . 2 . . . . . . . . 5796 1 37 . 1 1 10 10 LEU CG C 13 27.7 0.1 . 1 . . . . . . . . 5796 1 38 . 1 1 10 10 LEU HG H 1 1.66 0.03 . 1 . . . . . . . . 5796 1 39 . 1 1 10 10 LEU CD1 C 13 25.1 0.1 . 2 . . . . . . . . 5796 1 40 . 1 1 10 10 LEU HD11 H 1 0.93 0.03 . 2 . . . . . . . . 5796 1 41 . 1 1 10 10 LEU HD12 H 1 0.93 0.03 . 2 . . . . . . . . 5796 1 42 . 1 1 10 10 LEU HD13 H 1 0.93 0.03 . 2 . . . . . . . . 5796 1 43 . 1 1 11 11 GLU N N 15 118.2 0.1 . 1 . . . . . . . . 5796 1 44 . 1 1 11 11 GLU H H 1 8.55 0.03 . 1 . . . . . . . . 5796 1 45 . 1 1 11 11 GLU CA C 13 60.9 0.1 . 1 . . . . . . . . 5796 1 46 . 1 1 11 11 GLU HA H 1 3.58 0.03 . 1 . . . . . . . . 5796 1 47 . 1 1 11 11 GLU CB C 13 29.7 0.1 . 1 . . . . . . . . 5796 1 48 . 1 1 11 11 GLU HB2 H 1 2.30 0.03 . 2 . . . . . . . . 5796 1 49 . 1 1 11 11 GLU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 5796 1 50 . 1 1 11 11 GLU CG C 13 38.2 0.1 . 1 . . . . . . . . 5796 1 51 . 1 1 11 11 GLU HG3 H 1 2.59 0.03 . 2 . . . . . . . . 5796 1 52 . 1 1 12 12 ASN N N 15 116.1 0.1 . 1 . . . . . . . . 5796 1 53 . 1 1 12 12 ASN H H 1 7.76 0.03 . 1 . . . . . . . . 5796 1 54 . 1 1 12 12 ASN CA C 13 56.4 0.1 . 1 . . . . . . . . 5796 1 55 . 1 1 12 12 ASN HA H 1 4.50 0.03 . 1 . . . . . . . . 5796 1 56 . 1 1 12 12 ASN CB C 13 38.6 0.1 . 1 . . . . . . . . 5796 1 57 . 1 1 12 12 ASN HB2 H 1 2.81 0.03 . 2 . . . . . . . . 5796 1 58 . 1 1 12 12 ASN HB3 H 1 3.03 0.03 . 2 . . . . . . . . 5796 1 59 . 1 1 13 13 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 5796 1 60 . 1 1 13 13 ASP H H 1 8.50 0.03 . 1 . . . . . . . . 5796 1 61 . 1 1 13 13 ASP CA C 13 57.5 0.1 . 1 . . . . . . . . 5796 1 62 . 1 1 13 13 ASP HA H 1 4.48 0.03 . 1 . . . . . . . . 5796 1 63 . 1 1 13 13 ASP CB C 13 40.2 0.1 . 1 . . . . . . . . 5796 1 64 . 1 1 13 13 ASP HB2 H 1 2.54 0.03 . 2 . . . . . . . . 5796 1 65 . 1 1 13 13 ASP HB3 H 1 2.98 0.03 . 2 . . . . . . . . 5796 1 66 . 1 1 14 14 ILE N N 15 121.2 0.1 . 1 . . . . . . . . 5796 1 67 . 1 1 14 14 ILE H H 1 8.54 0.03 . 1 . . . . . . . . 5796 1 68 . 1 1 14 14 ILE CA C 13 66.8 0.1 . 1 . . . . . . . . 5796 1 69 . 1 1 14 14 ILE HA H 1 3.51 0.03 . 1 . . . . . . . . 5796 1 70 . 1 1 14 14 ILE CB C 13 37.4 0.1 . 1 . . . . . . . . 5796 1 71 . 1 1 14 14 ILE HB H 1 2.06 0.03 . 1 . . . . . . . . 5796 1 72 . 1 1 14 14 ILE CG1 C 13 27.4 0.1 . 1 . . . . . . . . 5796 1 73 . 1 1 14 14 ILE HG12 H 1 1.38 0.03 . 2 . . . . . . . . 5796 1 74 . 1 1 14 14 ILE HG13 H 1 1.49 0.03 . 2 . . . . . . . . 5796 1 75 . 1 1 14 14 ILE CD1 C 13 13.9 0.1 . 1 . . . . . . . . 5796 1 76 . 1 1 14 14 ILE HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 77 . 1 1 14 14 ILE HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 78 . 1 1 14 14 ILE HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 79 . 1 1 14 14 ILE CG2 C 13 18.1 0.1 . 1 . . . . . . . . 5796 1 80 . 1 1 14 14 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 81 . 1 1 14 14 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 82 . 1 1 14 14 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 83 . 1 1 15 15 ILE N N 15 120.2 0.1 . 1 . . . . . . . . 5796 1 84 . 1 1 15 15 ILE H H 1 7.93 0.03 . 1 . . . . . . . . 5796 1 85 . 1 1 15 15 ILE CA C 13 67.2 0.1 . 1 . . . . . . . . 5796 1 86 . 1 1 15 15 ILE HA H 1 3.28 0.03 . 1 . . . . . . . . 5796 1 87 . 1 1 15 15 ILE CB C 13 38.5 0.1 . 1 . . . . . . . . 5796 1 88 . 1 1 15 15 ILE HB H 1 1.97 0.03 . 1 . . . . . . . . 5796 1 89 . 1 1 15 15 ILE HG12 H 1 1.88 0.03 . 2 . . . . . . . . 5796 1 90 . 1 1 15 15 ILE HG13 H 1 1.93 0.03 . 2 . . . . . . . . 5796 1 91 . 1 1 15 15 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 5796 1 92 . 1 1 15 15 ILE HD11 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 93 . 1 1 15 15 ILE HD12 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 94 . 1 1 15 15 ILE HD13 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 95 . 1 1 15 15 ILE CG2 C 13 16.6 0.1 . 1 . . . . . . . . 5796 1 96 . 1 1 15 15 ILE HG21 H 1 0.86 0.03 . 1 . . . . . . . . 5796 1 97 . 1 1 15 15 ILE HG22 H 1 0.86 0.03 . 1 . . . . . . . . 5796 1 98 . 1 1 15 15 ILE HG23 H 1 0.86 0.03 . 1 . . . . . . . . 5796 1 99 . 1 1 16 16 ARG N N 15 117.5 0.1 . 1 . . . . . . . . 5796 1 100 . 1 1 16 16 ARG H H 1 7.63 0.03 . 1 . . . . . . . . 5796 1 101 . 1 1 16 16 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 5796 1 102 . 1 1 16 16 ARG HA H 1 4.12 0.03 . 1 . . . . . . . . 5796 1 103 . 1 1 16 16 ARG CB C 13 30.4 0.1 . 1 . . . . . . . . 5796 1 104 . 1 1 16 16 ARG HB2 H 1 1.97 0.03 . 2 . . . . . . . . 5796 1 105 . 1 1 16 16 ARG HB3 H 1 2.03 0.03 . 2 . . . . . . . . 5796 1 106 . 1 1 16 16 ARG CG C 13 27.7 0.1 . 1 . . . . . . . . 5796 1 107 . 1 1 16 16 ARG HG2 H 1 1.57 0.03 . 2 . . . . . . . . 5796 1 108 . 1 1 16 16 ARG HG3 H 1 1.80 0.03 . 2 . . . . . . . . 5796 1 109 . 1 1 16 16 ARG CD C 13 42.3 0.1 . 1 . . . . . . . . 5796 1 110 . 1 1 16 16 ARG HD2 H 1 3.15 0.03 . 2 . . . . . . . . 5796 1 111 . 1 1 16 16 ARG HD3 H 1 3.31 0.03 . 2 . . . . . . . . 5796 1 112 . 1 1 17 17 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 5796 1 113 . 1 1 17 17 LEU H H 1 8.37 0.03 . 1 . . . . . . . . 5796 1 114 . 1 1 17 17 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 5796 1 115 . 1 1 17 17 LEU HA H 1 4.15 0.03 . 1 . . . . . . . . 5796 1 116 . 1 1 17 17 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 5796 1 117 . 1 1 17 17 LEU HB2 H 1 1.42 0.03 . 2 . . . . . . . . 5796 1 118 . 1 1 17 17 LEU HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5796 1 119 . 1 1 17 17 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 5796 1 120 . 1 1 17 17 LEU HG H 1 1.73 0.03 . 1 . . . . . . . . 5796 1 121 . 1 1 17 17 LEU CD1 C 13 23.7 0.1 . 2 . . . . . . . . 5796 1 122 . 1 1 17 17 LEU HD11 H 1 0.81 0.03 . 2 . . . . . . . . 5796 1 123 . 1 1 17 17 LEU HD12 H 1 0.81 0.03 . 2 . . . . . . . . 5796 1 124 . 1 1 17 17 LEU HD13 H 1 0.81 0.03 . 2 . . . . . . . . 5796 1 125 . 1 1 18 18 ILE N N 15 123.6 0.1 . 1 . . . . . . . . 5796 1 126 . 1 1 18 18 ILE H H 1 9.05 0.03 . 1 . . . . . . . . 5796 1 127 . 1 1 18 18 ILE CA C 13 66.8 0.1 . 1 . . . . . . . . 5796 1 128 . 1 1 18 18 ILE HA H 1 3.82 0.03 . 1 . . . . . . . . 5796 1 129 . 1 1 18 18 ILE CB C 13 37.0 0.1 . 1 . . . . . . . . 5796 1 130 . 1 1 18 18 ILE HB H 1 1.98 0.03 . 1 . . . . . . . . 5796 1 131 . 1 1 18 18 ILE CG1 C 13 29.6 0.1 . 1 . . . . . . . . 5796 1 132 . 1 1 18 18 ILE HG12 H 1 1.03 0.03 . 2 . . . . . . . . 5796 1 133 . 1 1 18 18 ILE HG13 H 1 1.92 0.03 . 2 . . . . . . . . 5796 1 134 . 1 1 18 18 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 5796 1 135 . 1 1 18 18 ILE HD11 H 1 0.83 0.03 . 1 . . . . . . . . 5796 1 136 . 1 1 18 18 ILE HD12 H 1 0.83 0.03 . 1 . . . . . . . . 5796 1 137 . 1 1 18 18 ILE HD13 H 1 0.83 0.03 . 1 . . . . . . . . 5796 1 138 . 1 1 18 18 ILE CG2 C 13 16.6 0.1 . 1 . . . . . . . . 5796 1 139 . 1 1 18 18 ILE HG21 H 1 0.75 0.03 . 1 . . . . . . . . 5796 1 140 . 1 1 18 18 ILE HG22 H 1 0.75 0.03 . 1 . . . . . . . . 5796 1 141 . 1 1 18 18 ILE HG23 H 1 0.75 0.03 . 1 . . . . . . . . 5796 1 142 . 1 1 19 19 ASN N N 15 118.4 0.1 . 1 . . . . . . . . 5796 1 143 . 1 1 19 19 ASN H H 1 8.36 0.03 . 1 . . . . . . . . 5796 1 144 . 1 1 19 19 ASN CA C 13 56.4 0.1 . 1 . . . . . . . . 5796 1 145 . 1 1 19 19 ASN HA H 1 4.62 0.03 . 1 . . . . . . . . 5796 1 146 . 1 1 19 19 ASN CB C 13 37.4 0.1 . 1 . . . . . . . . 5796 1 147 . 1 1 19 19 ASN HB3 H 1 2.88 0.03 . 2 . . . . . . . . 5796 1 148 . 1 1 20 20 ARG N N 15 119.1 0.1 . 1 . . . . . . . . 5796 1 149 . 1 1 20 20 ARG H H 1 8.36 0.03 . 1 . . . . . . . . 5796 1 150 . 1 1 20 20 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 5796 1 151 . 1 1 20 20 ARG HA H 1 4.21 0.03 . 1 . . . . . . . . 5796 1 152 . 1 1 20 20 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 5796 1 153 . 1 1 20 20 ARG HB2 H 1 1.98 0.03 . 2 . . . . . . . . 5796 1 154 . 1 1 20 20 ARG HB3 H 1 2.10 0.03 . 2 . . . . . . . . 5796 1 155 . 1 1 20 20 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5796 1 156 . 1 1 20 20 ARG HG3 H 1 1.87 0.03 . 2 . . . . . . . . 5796 1 157 . 1 1 20 20 ARG CD C 13 43.7 0.1 . 1 . . . . . . . . 5796 1 158 . 1 1 20 20 ARG HD2 H 1 3.09 0.03 . 2 . . . . . . . . 5796 1 159 . 1 1 20 20 ARG HD3 H 1 3.17 0.03 . 2 . . . . . . . . 5796 1 160 . 1 1 21 21 THR N N 15 118.0 0.1 . 1 . . . . . . . . 5796 1 161 . 1 1 21 21 THR H H 1 8.04 0.03 . 1 . . . . . . . . 5796 1 162 . 1 1 21 21 THR CA C 13 66.8 0.1 . 1 . . . . . . . . 5796 1 163 . 1 1 21 21 THR HA H 1 3.98 0.03 . 1 . . . . . . . . 5796 1 164 . 1 1 21 21 THR CB C 13 68.7 0.1 . 1 . . . . . . . . 5796 1 165 . 1 1 21 21 THR HB H 1 4.12 0.03 . 1 . . . . . . . . 5796 1 166 . 1 1 21 21 THR CG2 C 13 22.9 0.1 . 1 . . . . . . . . 5796 1 167 . 1 1 21 21 THR HG21 H 1 1.09 0.03 . 1 . . . . . . . . 5796 1 168 . 1 1 21 21 THR HG22 H 1 1.09 0.03 . 1 . . . . . . . . 5796 1 169 . 1 1 21 21 THR HG23 H 1 1.09 0.03 . 1 . . . . . . . . 5796 1 170 . 1 1 22 22 VAL N N 15 121.8 0.1 . 1 . . . . . . . . 5796 1 171 . 1 1 22 22 VAL H H 1 8.26 0.03 . 1 . . . . . . . . 5796 1 172 . 1 1 22 22 VAL CA C 13 67.2 0.1 . 1 . . . . . . . . 5796 1 173 . 1 1 22 22 VAL HA H 1 3.32 0.03 . 1 . . . . . . . . 5796 1 174 . 1 1 22 22 VAL CB C 13 32.5 0.1 . 1 . . . . . . . . 5796 1 175 . 1 1 22 22 VAL HB H 1 2.43 0.03 . 1 . . . . . . . . 5796 1 176 . 1 1 22 22 VAL CG2 C 13 23.7 0.1 . 1 . . . . . . . . 5796 1 177 . 1 1 22 22 VAL HG21 H 1 1.22 0.03 . 1 . . . . . . . . 5796 1 178 . 1 1 22 22 VAL HG22 H 1 1.22 0.03 . 1 . . . . . . . . 5796 1 179 . 1 1 22 22 VAL HG23 H 1 1.22 0.03 . 1 . . . . . . . . 5796 1 180 . 1 1 22 22 VAL CG1 C 13 22.5 0.1 . 1 . . . . . . . . 5796 1 181 . 1 1 22 22 VAL HG11 H 1 0.93 0.03 . 1 . . . . . . . . 5796 1 182 . 1 1 22 22 VAL HG12 H 1 0.93 0.03 . 1 . . . . . . . . 5796 1 183 . 1 1 22 22 VAL HG13 H 1 0.93 0.03 . 1 . . . . . . . . 5796 1 184 . 1 1 23 23 ILE N N 15 114.7 0.1 . 1 . . . . . . . . 5796 1 185 . 1 1 23 23 ILE H H 1 7.21 0.03 . 1 . . . . . . . . 5796 1 186 . 1 1 23 23 ILE CA C 13 64.2 0.1 . 1 . . . . . . . . 5796 1 187 . 1 1 23 23 ILE HA H 1 3.62 0.03 . 1 . . . . . . . . 5796 1 188 . 1 1 23 23 ILE CB C 13 38.9 0.1 . 1 . . . . . . . . 5796 1 189 . 1 1 23 23 ILE HB H 1 1.68 0.03 . 1 . . . . . . . . 5796 1 190 . 1 1 23 23 ILE CG1 C 13 28.5 0.1 . 1 . . . . . . . . 5796 1 191 . 1 1 23 23 ILE HG12 H 1 1.20 0.03 . 2 . . . . . . . . 5796 1 192 . 1 1 23 23 ILE HG13 H 1 1.61 0.03 . 2 . . . . . . . . 5796 1 193 . 1 1 23 23 ILE CD1 C 13 12.5 0.1 . 1 . . . . . . . . 5796 1 194 . 1 1 23 23 ILE HD11 H 1 0.82 0.03 . 1 . . . . . . . . 5796 1 195 . 1 1 23 23 ILE HD12 H 1 0.82 0.03 . 1 . . . . . . . . 5796 1 196 . 1 1 23 23 ILE HD13 H 1 0.82 0.03 . 1 . . . . . . . . 5796 1 197 . 1 1 23 23 ILE CG2 C 13 16.6 0.1 . 1 . . . . . . . . 5796 1 198 . 1 1 23 23 ILE HG21 H 1 0.39 0.03 . 1 . . . . . . . . 5796 1 199 . 1 1 23 23 ILE HG22 H 1 0.39 0.03 . 1 . . . . . . . . 5796 1 200 . 1 1 23 23 ILE HG23 H 1 0.39 0.03 . 1 . . . . . . . . 5796 1 201 . 1 1 24 24 HIS N N 15 114.1 0.1 . 1 . . . . . . . . 5796 1 202 . 1 1 24 24 HIS H H 1 7.96 0.03 . 1 . . . . . . . . 5796 1 203 . 1 1 24 24 HIS CA C 13 58.2 0.1 . 1 . . . . . . . . 5796 1 204 . 1 1 24 24 HIS HA H 1 4.54 0.03 . 1 . . . . . . . . 5796 1 205 . 1 1 24 24 HIS CB C 13 32.6 0.1 . 1 . . . . . . . . 5796 1 206 . 1 1 24 24 HIS HB3 H 1 3.07 0.03 . 2 . . . . . . . . 5796 1 207 . 1 1 25 25 GLU N N 15 116.1 0.1 . 1 . . . . . . . . 5796 1 208 . 1 1 25 25 GLU H H 1 8.27 0.03 . 1 . . . . . . . . 5796 1 209 . 1 1 25 25 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 5796 1 210 . 1 1 25 25 GLU HA H 1 4.60 0.03 . 1 . . . . . . . . 5796 1 211 . 1 1 25 25 GLU CB C 13 32.3 0.1 . 1 . . . . . . . . 5796 1 212 . 1 1 25 25 GLU HB2 H 1 2.10 0.03 . 2 . . . . . . . . 5796 1 213 . 1 1 25 25 GLU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5796 1 214 . 1 1 25 25 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5796 1 215 . 1 1 25 25 GLU HG3 H 1 2.16 0.03 . 2 . . . . . . . . 5796 1 216 . 1 1 26 26 ILE N N 15 118.4 0.1 . 1 . . . . . . . . 5796 1 217 . 1 1 26 26 ILE H H 1 6.87 0.03 . 1 . . . . . . . . 5796 1 218 . 1 1 26 26 ILE CA C 13 59.4 0.1 . 1 . . . . . . . . 5796 1 219 . 1 1 26 26 ILE HA H 1 4.04 0.03 . 1 . . . . . . . . 5796 1 220 . 1 1 26 26 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . 5796 1 221 . 1 1 26 26 ILE HB H 1 2.00 0.03 . 1 . . . . . . . . 5796 1 222 . 1 1 26 26 ILE CG1 C 13 27.7 0.1 . 1 . . . . . . . . 5796 1 223 . 1 1 26 26 ILE HG12 H 1 1.01 0.03 . 2 . . . . . . . . 5796 1 224 . 1 1 26 26 ILE HG13 H 1 1.07 0.03 . 2 . . . . . . . . 5796 1 225 . 1 1 26 26 ILE CD1 C 13 12.1 0.1 . 1 . . . . . . . . 5796 1 226 . 1 1 26 26 ILE HD11 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 227 . 1 1 26 26 ILE HD12 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 228 . 1 1 26 26 ILE HD13 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 229 . 1 1 26 26 ILE CG2 C 13 17.7 0.1 . 1 . . . . . . . . 5796 1 230 . 1 1 26 26 ILE HG21 H 1 0.76 0.03 . 1 . . . . . . . . 5796 1 231 . 1 1 26 26 ILE HG22 H 1 0.76 0.03 . 1 . . . . . . . . 5796 1 232 . 1 1 26 26 ILE HG23 H 1 0.76 0.03 . 1 . . . . . . . . 5796 1 233 . 1 1 27 27 TYR N N 15 125.0 0.1 . 1 . . . . . . . . 5796 1 234 . 1 1 27 27 TYR H H 1 8.31 0.03 . 1 . . . . . . . . 5796 1 235 . 1 1 27 27 TYR CA C 13 57.6 0.1 . 1 . . . . . . . . 5796 1 236 . 1 1 28 28 ASN N N 15 122.9 0.1 . 1 . . . . . . . . 5796 1 237 . 1 1 28 28 ASN H H 1 8.69 0.03 . 1 . . . . . . . . 5796 1 238 . 1 1 28 28 ASN CA C 13 54.2 0.1 . 1 . . . . . . . . 5796 1 239 . 1 1 28 28 ASN HA H 1 4.54 0.03 . 1 . . . . . . . . 5796 1 240 . 1 1 28 28 ASN CB C 13 39.6 0.1 . 1 . . . . . . . . 5796 1 241 . 1 1 29 29 GLU N N 15 124.7 0.1 . 1 . . . . . . . . 5796 1 242 . 1 1 29 29 GLU H H 1 8.97 0.03 . 1 . . . . . . . . 5796 1 243 . 1 1 29 29 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5796 1 244 . 1 1 29 29 GLU HA H 1 3.85 0.03 . 1 . . . . . . . . 5796 1 245 . 1 1 29 29 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5796 1 246 . 1 1 29 29 GLU HB2 H 1 1.97 0.03 . 2 . . . . . . . . 5796 1 247 . 1 1 29 29 GLU HB3 H 1 2.08 0.03 . 2 . . . . . . . . 5796 1 248 . 1 1 29 29 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5796 1 249 . 1 1 29 29 GLU HG2 H 1 2.28 0.03 . 2 . . . . . . . . 5796 1 250 . 1 1 29 29 GLU HG3 H 1 2.35 0.03 . 2 . . . . . . . . 5796 1 251 . 1 1 30 30 THR N N 15 117.0 0.1 . 1 . . . . . . . . 5796 1 252 . 1 1 30 30 THR H H 1 7.99 0.03 . 1 . . . . . . . . 5796 1 253 . 1 1 30 30 THR CA C 13 66.4 0.1 . 1 . . . . . . . . 5796 1 254 . 1 1 30 30 THR HA H 1 3.97 0.03 . 1 . . . . . . . . 5796 1 255 . 1 1 30 30 THR CB C 13 67.9 0.1 . 1 . . . . . . . . 5796 1 256 . 1 1 30 30 THR HB H 1 4.12 0.03 . 1 . . . . . . . . 5796 1 257 . 1 1 30 30 THR CG2 C 13 22.9 0.1 . 1 . . . . . . . . 5796 1 258 . 1 1 30 30 THR HG21 H 1 1.09 0.03 . 1 . . . . . . . . 5796 1 259 . 1 1 30 30 THR HG22 H 1 1.09 0.03 . 1 . . . . . . . . 5796 1 260 . 1 1 30 30 THR HG23 H 1 1.09 0.03 . 1 . . . . . . . . 5796 1 261 . 1 1 31 31 VAL N N 15 121.8 0.1 . 1 . . . . . . . . 5796 1 262 . 1 1 31 31 VAL H H 1 7.83 0.03 . 1 . . . . . . . . 5796 1 263 . 1 1 31 31 VAL CA C 13 65.3 0.1 . 1 . . . . . . . . 5796 1 264 . 1 1 31 31 VAL HA H 1 3.41 0.03 . 1 . . . . . . . . 5796 1 265 . 1 1 31 31 VAL CB C 13 31.1 0.1 . 1 . . . . . . . . 5796 1 266 . 1 1 31 31 VAL HB H 1 1.73 0.03 . 1 . . . . . . . . 5796 1 267 . 1 1 31 31 VAL CG2 C 13 22.5 0.1 . 1 . . . . . . . . 5796 1 268 . 1 1 31 31 VAL HG21 H 1 0.49 0.03 . 1 . . . . . . . . 5796 1 269 . 1 1 31 31 VAL HG22 H 1 0.49 0.03 . 1 . . . . . . . . 5796 1 270 . 1 1 31 31 VAL HG23 H 1 0.49 0.03 . 1 . . . . . . . . 5796 1 271 . 1 1 31 31 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . 5796 1 272 . 1 1 31 31 VAL HG11 H 1 0.09 0.03 . 1 . . . . . . . . 5796 1 273 . 1 1 31 31 VAL HG12 H 1 0.09 0.03 . 1 . . . . . . . . 5796 1 274 . 1 1 31 31 VAL HG13 H 1 0.09 0.03 . 1 . . . . . . . . 5796 1 275 . 1 1 32 32 LYS N N 15 113.7 0.1 . 1 . . . . . . . . 5796 1 276 . 1 1 32 32 LYS H H 1 7.00 0.03 . 1 . . . . . . . . 5796 1 277 . 1 1 32 32 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 5796 1 278 . 1 1 32 32 LYS HA H 1 3.88 0.03 . 1 . . . . . . . . 5796 1 279 . 1 1 32 32 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 5796 1 280 . 1 1 32 32 LYS HB3 H 1 1.82 0.03 . 2 . . . . . . . . 5796 1 281 . 1 1 33 33 THR N N 15 108.0 0.1 . 1 . . . . . . . . 5796 1 282 . 1 1 33 33 THR H H 1 7.36 0.03 . 1 . . . . . . . . 5796 1 283 . 1 1 33 33 THR CA C 13 61.9 0.1 . 1 . . . . . . . . 5796 1 284 . 1 1 33 33 THR HA H 1 4.45 0.03 . 1 . . . . . . . . 5796 1 285 . 1 1 33 33 THR CB C 13 69.8 0.1 . 1 . . . . . . . . 5796 1 286 . 1 1 33 33 THR CG2 C 13 21.4 0.1 . 1 . . . . . . . . 5796 1 287 . 1 1 33 33 THR HG21 H 1 1.39 0.03 . 1 . . . . . . . . 5796 1 288 . 1 1 33 33 THR HG22 H 1 1.39 0.03 . 1 . . . . . . . . 5796 1 289 . 1 1 33 33 THR HG23 H 1 1.39 0.03 . 1 . . . . . . . . 5796 1 290 . 1 1 34 34 GLY N N 15 109.2 0.1 . 1 . . . . . . . . 5796 1 291 . 1 1 34 34 GLY H H 1 8.17 0.03 . 1 . . . . . . . . 5796 1 292 . 1 1 34 34 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 5796 1 293 . 1 1 34 34 GLY HA3 H 1 3.50 0.03 . 2 . . . . . . . . 5796 1 294 . 1 1 34 34 GLY HA2 H 1 4.80 0.03 . 2 . . . . . . . . 5796 1 295 . 1 1 35 35 HIS N N 15 116.5 0.1 . 1 . . . . . . . . 5796 1 296 . 1 1 35 35 HIS H H 1 8.43 0.03 . 1 . . . . . . . . 5796 1 297 . 1 1 35 35 HIS CA C 13 54.7 0.1 . 1 . . . . . . . . 5796 1 298 . 1 1 35 35 HIS HA H 1 4.82 0.03 . 1 . . . . . . . . 5796 1 299 . 1 1 35 35 HIS CB C 13 32.3 0.1 . 1 . . . . . . . . 5796 1 300 . 1 1 35 35 HIS HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5796 1 301 . 1 1 35 35 HIS HB3 H 1 2.92 0.03 . 2 . . . . . . . . 5796 1 302 . 1 1 36 36 VAL N N 15 123.9 0.1 . 1 . . . . . . . . 5796 1 303 . 1 1 36 36 VAL H H 1 9.13 0.03 . 1 . . . . . . . . 5796 1 304 . 1 1 36 36 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . 5796 1 305 . 1 1 36 36 VAL HA H 1 4.33 0.03 . 1 . . . . . . . . 5796 1 306 . 1 1 36 36 VAL CB C 13 32.4 0.1 . 1 . . . . . . . . 5796 1 307 . 1 1 36 36 VAL HB H 1 2.02 0.03 . 1 . . . . . . . . 5796 1 308 . 1 1 36 36 VAL CG2 C 13 22.2 0.1 . 1 . . . . . . . . 5796 1 309 . 1 1 36 36 VAL HG21 H 1 0.76 0.03 . 1 . . . . . . . . 5796 1 310 . 1 1 36 36 VAL HG22 H 1 0.76 0.03 . 1 . . . . . . . . 5796 1 311 . 1 1 36 36 VAL HG23 H 1 0.76 0.03 . 1 . . . . . . . . 5796 1 312 . 1 1 36 36 VAL CG1 C 13 23.7 0.1 . 1 . . . . . . . . 5796 1 313 . 1 1 36 36 VAL HG11 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 314 . 1 1 36 36 VAL HG12 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 315 . 1 1 36 36 VAL HG13 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 316 . 1 1 37 37 THR N N 15 118.6 0.1 . 1 . . . . . . . . 5796 1 317 . 1 1 37 37 THR H H 1 8.91 0.03 . 1 . . . . . . . . 5796 1 318 . 1 1 37 37 THR CA C 13 61.6 0.1 . 1 . . . . . . . . 5796 1 319 . 1 1 37 37 THR HA H 1 4.37 0.03 . 1 . . . . . . . . 5796 1 320 . 1 1 37 37 THR CB C 13 67.7 0.1 . 1 . . . . . . . . 5796 1 321 . 1 1 37 37 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 5796 1 322 . 1 1 37 37 THR CG2 C 13 24.0 0.1 . 1 . . . . . . . . 5796 1 323 . 1 1 37 37 THR HG21 H 1 1.12 0.03 . 1 . . . . . . . . 5796 1 324 . 1 1 37 37 THR HG22 H 1 1.12 0.03 . 1 . . . . . . . . 5796 1 325 . 1 1 37 37 THR HG23 H 1 1.12 0.03 . 1 . . . . . . . . 5796 1 326 . 1 1 38 38 HIS N N 15 116.5 0.1 . 1 . . . . . . . . 5796 1 327 . 1 1 38 38 HIS H H 1 7.55 0.03 . 1 . . . . . . . . 5796 1 328 . 1 1 38 38 HIS CA C 13 55.3 0.1 . 1 . . . . . . . . 5796 1 329 . 1 1 38 38 HIS HA H 1 4.67 0.03 . 1 . . . . . . . . 5796 1 330 . 1 1 38 38 HIS CB C 13 31.3 0.1 . 1 . . . . . . . . 5796 1 331 . 1 1 38 38 HIS HB2 H 1 3.17 0.03 . 2 . . . . . . . . 5796 1 332 . 1 1 38 38 HIS HB3 H 1 3.36 0.03 . 2 . . . . . . . . 5796 1 333 . 1 1 39 39 VAL N N 15 116.9 0.1 . 1 . . . . . . . . 5796 1 334 . 1 1 39 39 VAL H H 1 8.64 0.03 . 1 . . . . . . . . 5796 1 335 . 1 1 39 39 VAL CA C 13 59.7 0.1 . 1 . . . . . . . . 5796 1 336 . 1 1 39 39 VAL HA H 1 5.17 0.03 . 1 . . . . . . . . 5796 1 337 . 1 1 39 39 VAL CB C 13 35.9 0.1 . 1 . . . . . . . . 5796 1 338 . 1 1 39 39 VAL HB H 1 1.87 0.03 . 1 . . . . . . . . 5796 1 339 . 1 1 39 39 VAL CG1 C 13 22.9 0.1 . 2 . . . . . . . . 5796 1 340 . 1 1 39 39 VAL HG11 H 1 0.79 0.03 . 2 . . . . . . . . 5796 1 341 . 1 1 39 39 VAL HG12 H 1 0.79 0.03 . 2 . . . . . . . . 5796 1 342 . 1 1 39 39 VAL HG13 H 1 0.79 0.03 . 2 . . . . . . . . 5796 1 343 . 1 1 40 40 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 5796 1 344 . 1 1 40 40 LYS H H 1 8.99 0.03 . 1 . . . . . . . . 5796 1 345 . 1 1 40 40 LYS CA C 13 54.5 0.1 . 1 . . . . . . . . 5796 1 346 . 1 1 40 40 LYS HA H 1 4.86 0.03 . 1 . . . . . . . . 5796 1 347 . 1 1 40 40 LYS CB C 13 36.2 0.1 . 1 . . . . . . . . 5796 1 348 . 1 1 40 40 LYS HB3 H 1 1.79 0.03 . 2 . . . . . . . . 5796 1 349 . 1 1 40 40 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5796 1 350 . 1 1 40 40 LYS HG2 H 1 1.33 0.03 . 2 . . . . . . . . 5796 1 351 . 1 1 40 40 LYS HG3 H 1 1.46 0.03 . 2 . . . . . . . . 5796 1 352 . 1 1 40 40 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5796 1 353 . 1 1 40 40 LYS HD3 H 1 1.80 0.03 . 2 . . . . . . . . 5796 1 354 . 1 1 40 40 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 5796 1 355 . 1 1 40 40 LYS HE3 H 1 2.98 0.03 . 2 . . . . . . . . 5796 1 356 . 1 1 41 41 LEU N N 15 130.4 0.1 . 1 . . . . . . . . 5796 1 357 . 1 1 41 41 LEU H H 1 9.93 0.03 . 1 . . . . . . . . 5796 1 358 . 1 1 41 41 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5796 1 359 . 1 1 41 41 LEU HA H 1 5.08 0.03 . 1 . . . . . . . . 5796 1 360 . 1 1 41 41 LEU CB C 13 44.9 0.1 . 1 . . . . . . . . 5796 1 361 . 1 1 41 41 LEU HB2 H 1 1.53 0.03 . 2 . . . . . . . . 5796 1 362 . 1 1 41 41 LEU HB3 H 1 1.82 0.03 . 2 . . . . . . . . 5796 1 363 . 1 1 41 41 LEU CG C 13 27.7 0.1 . 1 . . . . . . . . 5796 1 364 . 1 1 41 41 LEU HG H 1 1.73 0.03 . 1 . . . . . . . . 5796 1 365 . 1 1 41 41 LEU CD1 C 13 25.5 0.1 . 1 . . . . . . . . 5796 1 366 . 1 1 41 41 LEU HD11 H 1 0.88 0.03 . 1 . . . . . . . . 5796 1 367 . 1 1 41 41 LEU HD12 H 1 0.88 0.03 . 1 . . . . . . . . 5796 1 368 . 1 1 41 41 LEU HD13 H 1 0.88 0.03 . 1 . . . . . . . . 5796 1 369 . 1 1 41 41 LEU CD2 C 13 26.3 0.1 . 1 . . . . . . . . 5796 1 370 . 1 1 41 41 LEU HD21 H 1 0.84 0.03 . 1 . . . . . . . . 5796 1 371 . 1 1 41 41 LEU HD22 H 1 0.84 0.03 . 1 . . . . . . . . 5796 1 372 . 1 1 41 41 LEU HD23 H 1 0.84 0.03 . 1 . . . . . . . . 5796 1 373 . 1 1 42 42 SER N N 15 119.3 0.1 . 1 . . . . . . . . 5796 1 374 . 1 1 42 42 SER H H 1 8.76 0.03 . 1 . . . . . . . . 5796 1 375 . 1 1 42 42 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 5796 1 376 . 1 1 42 42 SER HA H 1 4.42 0.03 . 1 . . . . . . . . 5796 1 377 . 1 1 42 42 SER CB C 13 63.7 0.1 . 1 . . . . . . . . 5796 1 378 . 1 1 42 42 SER HB2 H 1 4.02 0.03 . 2 . . . . . . . . 5796 1 379 . 1 1 43 43 ASP N N 15 121.6 0.1 . 1 . . . . . . . . 5796 1 380 . 1 1 43 43 ASP H H 1 8.82 0.03 . 1 . . . . . . . . 5796 1 381 . 1 1 43 43 ASP CA C 13 57.4 0.1 . 1 . . . . . . . . 5796 1 382 . 1 1 43 43 ASP HA H 1 4.78 0.03 . 1 . . . . . . . . 5796 1 383 . 1 1 43 43 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5796 1 384 . 1 1 43 43 ASP HB2 H 1 2.66 0.03 . 2 . . . . . . . . 5796 1 385 . 1 1 44 44 ASP N N 15 115.0 0.1 . 1 . . . . . . . . 5796 1 386 . 1 1 44 44 ASP H H 1 7.85 0.03 . 1 . . . . . . . . 5796 1 387 . 1 1 44 44 ASP CA C 13 52.3 0.1 . 1 . . . . . . . . 5796 1 388 . 1 1 44 44 ASP HA H 1 4.33 0.03 . 1 . . . . . . . . 5796 1 389 . 1 1 44 44 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . 5796 1 390 . 1 1 44 44 ASP HB2 H 1 2.59 0.03 . 2 . . . . . . . . 5796 1 391 . 1 1 44 44 ASP HB3 H 1 3.00 0.03 . 2 . . . . . . . . 5796 1 392 . 1 1 45 45 LEU N N 15 113.8 0.1 . 1 . . . . . . . . 5796 1 393 . 1 1 45 45 LEU H H 1 7.99 0.03 . 1 . . . . . . . . 5796 1 394 . 1 1 45 45 LEU CA C 13 56.4 0.1 . 1 . . . . . . . . 5796 1 395 . 1 1 45 45 LEU HA H 1 3.69 0.03 . 1 . . . . . . . . 5796 1 396 . 1 1 45 45 LEU CB C 13 38.9 0.1 . 1 . . . . . . . . 5796 1 397 . 1 1 45 45 LEU HB2 H 1 1.61 0.03 . 2 . . . . . . . . 5796 1 398 . 1 1 45 45 LEU HB3 H 1 2.10 0.03 . 2 . . . . . . . . 5796 1 399 . 1 1 45 45 LEU CG C 13 27.4 0.1 . 1 . . . . . . . . 5796 1 400 . 1 1 45 45 LEU HG H 1 1.50 0.03 . 1 . . . . . . . . 5796 1 401 . 1 1 45 45 LEU CD1 C 13 26.2 0.1 . 2 . . . . . . . . 5796 1 402 . 1 1 45 45 LEU HD11 H 1 0.86 0.03 . 2 . . . . . . . . 5796 1 403 . 1 1 45 45 LEU HD12 H 1 0.86 0.03 . 2 . . . . . . . . 5796 1 404 . 1 1 45 45 LEU HD13 H 1 0.86 0.03 . 2 . . . . . . . . 5796 1 405 . 1 1 46 46 LEU N N 15 114.5 0.1 . 1 . . . . . . . . 5796 1 406 . 1 1 46 46 LEU H H 1 7.51 0.03 . 1 . . . . . . . . 5796 1 407 . 1 1 46 46 LEU CA C 13 54.9 0.1 . 1 . . . . . . . . 5796 1 408 . 1 1 46 46 LEU HA H 1 4.30 0.03 . 1 . . . . . . . . 5796 1 409 . 1 1 46 46 LEU CB C 13 43.0 0.1 . 1 . . . . . . . . 5796 1 410 . 1 1 46 46 LEU HB2 H 1 1.26 0.03 . 2 . . . . . . . . 5796 1 411 . 1 1 46 46 LEU HB3 H 1 1.54 0.03 . 2 . . . . . . . . 5796 1 412 . 1 1 46 46 LEU HG H 1 1.90 0.03 . 1 . . . . . . . . 5796 1 413 . 1 1 46 46 LEU CD1 C 13 25.1 0.1 . 1 . . . . . . . . 5796 1 414 . 1 1 46 46 LEU HD11 H 1 0.78 0.03 . 1 . . . . . . . . 5796 1 415 . 1 1 46 46 LEU HD12 H 1 0.78 0.03 . 1 . . . . . . . . 5796 1 416 . 1 1 46 46 LEU HD13 H 1 0.78 0.03 . 1 . . . . . . . . 5796 1 417 . 1 1 46 46 LEU CD2 C 13 22.9 0.1 . 1 . . . . . . . . 5796 1 418 . 1 1 46 46 LEU HD21 H 1 0.68 0.03 . 1 . . . . . . . . 5796 1 419 . 1 1 46 46 LEU HD22 H 1 0.68 0.03 . 1 . . . . . . . . 5796 1 420 . 1 1 46 46 LEU HD23 H 1 0.68 0.03 . 1 . . . . . . . . 5796 1 421 . 1 1 47 47 HIS N N 15 118.7 0.1 . 1 . . . . . . . . 5796 1 422 . 1 1 47 47 HIS H H 1 7.98 0.03 . 1 . . . . . . . . 5796 1 423 . 1 1 47 47 HIS CA C 13 55.3 0.1 . 1 . . . . . . . . 5796 1 424 . 1 1 47 47 HIS HA H 1 5.14 0.03 . 1 . . . . . . . . 5796 1 425 . 1 1 47 47 HIS CB C 13 33.6 0.1 . 1 . . . . . . . . 5796 1 426 . 1 1 47 47 HIS HB2 H 1 2.93 0.03 . 2 . . . . . . . . 5796 1 427 . 1 1 47 47 HIS CD2 C 13 119.7 0.1 . 1 . . . . . . . . 5796 1 428 . 1 1 47 47 HIS HD2 H 1 7.09 0.03 . 1 . . . . . . . . 5796 1 429 . 1 1 48 48 VAL N N 15 123.6 0.1 . 1 . . . . . . . . 5796 1 430 . 1 1 48 48 VAL H H 1 8.84 0.03 . 1 . . . . . . . . 5796 1 431 . 1 1 48 48 VAL CA C 13 60.1 0.1 . 1 . . . . . . . . 5796 1 432 . 1 1 48 48 VAL HA H 1 4.68 0.03 . 1 . . . . . . . . 5796 1 433 . 1 1 48 48 VAL CB C 13 34.6 0.1 . 1 . . . . . . . . 5796 1 434 . 1 1 48 48 VAL HB H 1 1.77 0.03 . 1 . . . . . . . . 5796 1 435 . 1 1 48 48 VAL CG1 C 13 21.1 0.1 . 2 . . . . . . . . 5796 1 436 . 1 1 48 48 VAL HG11 H 1 0.62 0.03 . 2 . . . . . . . . 5796 1 437 . 1 1 48 48 VAL HG12 H 1 0.62 0.03 . 2 . . . . . . . . 5796 1 438 . 1 1 48 48 VAL HG13 H 1 0.62 0.03 . 2 . . . . . . . . 5796 1 439 . 1 1 49 49 THR N N 15 126.1 0.1 . 1 . . . . . . . . 5796 1 440 . 1 1 49 49 THR H H 1 8.95 0.03 . 1 . . . . . . . . 5796 1 441 . 1 1 49 49 THR CA C 13 62.1 0.1 . 1 . . . . . . . . 5796 1 442 . 1 1 49 49 THR HA H 1 4.71 0.03 . 1 . . . . . . . . 5796 1 443 . 1 1 49 49 THR CB C 13 68.7 0.1 . 1 . . . . . . . . 5796 1 444 . 1 1 49 49 THR HB H 1 3.85 0.03 . 1 . . . . . . . . 5796 1 445 . 1 1 49 49 THR HG21 H 1 0.54 0.03 . 1 . . . . . . . . 5796 1 446 . 1 1 49 49 THR HG22 H 1 0.54 0.03 . 1 . . . . . . . . 5796 1 447 . 1 1 49 49 THR HG23 H 1 0.54 0.03 . 1 . . . . . . . . 5796 1 448 . 1 1 50 50 VAL N N 15 128.3 0.1 . 1 . . . . . . . . 5796 1 449 . 1 1 50 50 VAL H H 1 8.71 0.03 . 1 . . . . . . . . 5796 1 450 . 1 1 50 50 VAL CA C 13 60.9 0.1 . 1 . . . . . . . . 5796 1 451 . 1 1 50 50 VAL HA H 1 4.04 0.03 . 1 . . . . . . . . 5796 1 452 . 1 1 50 50 VAL CB C 13 32.8 0.1 . 1 . . . . . . . . 5796 1 453 . 1 1 50 50 VAL HB H 1 1.56 0.03 . 1 . . . . . . . . 5796 1 454 . 1 1 50 50 VAL CG2 C 13 23.3 0.1 . 1 . . . . . . . . 5796 1 455 . 1 1 50 50 VAL HG21 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 456 . 1 1 50 50 VAL HG22 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 457 . 1 1 50 50 VAL HG23 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 458 . 1 1 50 50 VAL CG1 C 13 20.7 0.1 . 1 . . . . . . . . 5796 1 459 . 1 1 50 50 VAL HG11 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 460 . 1 1 50 50 VAL HG12 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 461 . 1 1 50 50 VAL HG13 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 462 . 1 1 51 51 TYR N N 15 126.1 0.1 . 1 . . . . . . . . 5796 1 463 . 1 1 51 51 TYR H H 1 8.18 0.03 . 1 . . . . . . . . 5796 1 464 . 1 1 51 51 TYR CA C 13 57.1 0.1 . 1 . . . . . . . . 5796 1 465 . 1 1 51 51 TYR HA H 1 4.87 0.03 . 1 . . . . . . . . 5796 1 466 . 1 1 51 51 TYR CB C 13 39.1 0.1 . 1 . . . . . . . . 5796 1 467 . 1 1 51 51 TYR HB2 H 1 2.74 0.03 . 2 . . . . . . . . 5796 1 468 . 1 1 51 51 TYR CD1 C 13 133.4 0.1 . 3 . . . . . . . . 5796 1 469 . 1 1 51 51 TYR HD1 H 1 6.61 0.03 . 3 . . . . . . . . 5796 1 470 . 1 1 51 51 TYR CE1 C 13 117.8 0.1 . 3 . . . . . . . . 5796 1 471 . 1 1 51 51 TYR HE1 H 1 6.44 0.03 . 3 . . . . . . . . 5796 1 472 . 1 1 52 52 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5796 1 473 . 1 1 52 52 LEU H H 1 8.39 0.03 . 1 . . . . . . . . 5796 1 474 . 1 1 52 52 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5796 1 475 . 1 1 52 52 LEU HA H 1 5.15 0.03 . 1 . . . . . . . . 5796 1 476 . 1 1 52 52 LEU CB C 13 46.7 0.1 . 1 . . . . . . . . 5796 1 477 . 1 1 52 52 LEU HB2 H 1 0.80 0.03 . 2 . . . . . . . . 5796 1 478 . 1 1 52 52 LEU HB3 H 1 1.33 0.03 . 2 . . . . . . . . 5796 1 479 . 1 1 52 52 LEU CG C 13 25.5 0.1 . 1 . . . . . . . . 5796 1 480 . 1 1 52 52 LEU HG H 1 1.33 0.03 . 1 . . . . . . . . 5796 1 481 . 1 1 52 52 LEU CD1 C 13 26.6 0.1 . 1 . . . . . . . . 5796 1 482 . 1 1 52 52 LEU HD11 H 1 -0.05 0.03 . 1 . . . . . . . . 5796 1 483 . 1 1 52 52 LEU HD12 H 1 -0.05 0.03 . 1 . . . . . . . . 5796 1 484 . 1 1 52 52 LEU HD13 H 1 -0.05 0.03 . 1 . . . . . . . . 5796 1 485 . 1 1 52 52 LEU CD2 C 13 23.3 0.1 . 1 . . . . . . . . 5796 1 486 . 1 1 52 52 LEU HD21 H 1 -0.10 0.03 . 1 . . . . . . . . 5796 1 487 . 1 1 52 52 LEU HD22 H 1 -0.10 0.03 . 1 . . . . . . . . 5796 1 488 . 1 1 52 52 LEU HD23 H 1 -0.10 0.03 . 1 . . . . . . . . 5796 1 489 . 1 1 53 53 ASP N N 15 119.3 0.1 . 1 . . . . . . . . 5796 1 490 . 1 1 53 53 ASP H H 1 8.59 0.03 . 1 . . . . . . . . 5796 1 491 . 1 1 53 53 ASP CA C 13 51.2 0.1 . 1 . . . . . . . . 5796 1 492 . 1 1 53 53 ASP HA H 1 4.84 0.03 . 1 . . . . . . . . 5796 1 493 . 1 1 53 53 ASP CB C 13 45.1 0.1 . 1 . . . . . . . . 5796 1 494 . 1 1 53 53 ASP HB2 H 1 2.14 0.03 . 2 . . . . . . . . 5796 1 495 . 1 1 53 53 ASP HB3 H 1 2.39 0.03 . 2 . . . . . . . . 5796 1 496 . 1 1 54 54 CYS N N 15 115.0 0.1 . 1 . . . . . . . . 5796 1 497 . 1 1 54 54 CYS H H 1 9.21 0.03 . 1 . . . . . . . . 5796 1 498 . 1 1 54 54 CYS CA C 13 57.0 0.1 . 1 . . . . . . . . 5796 1 499 . 1 1 54 54 CYS HA H 1 5.06 0.03 . 1 . . . . . . . . 5796 1 500 . 1 1 54 54 CYS CB C 13 30.4 0.1 . 1 . . . . . . . . 5796 1 501 . 1 1 54 54 CYS HB2 H 1 2.96 0.03 . 2 . . . . . . . . 5796 1 502 . 1 1 54 54 CYS HB3 H 1 2.60 0.03 . 2 . . . . . . . . 5796 1 503 . 1 1 55 55 TYR N N 15 118.7 0.1 . 1 . . . . . . . . 5796 1 504 . 1 1 55 55 TYR H H 1 7.96 0.03 . 1 . . . . . . . . 5796 1 505 . 1 1 55 55 TYR CA C 13 60.4 0.1 . 1 . . . . . . . . 5796 1 506 . 1 1 55 55 TYR HA H 1 4.33 0.03 . 1 . . . . . . . . 5796 1 507 . 1 1 55 55 TYR CB C 13 38.2 0.1 . 1 . . . . . . . . 5796 1 508 . 1 1 55 55 TYR HB3 H 1 3.04 0.03 . 2 . . . . . . . . 5796 1 509 . 1 1 55 55 TYR CD1 C 13 133.3 0.1 . 3 . . . . . . . . 5796 1 510 . 1 1 55 55 TYR HD1 H 1 7.09 0.03 . 3 . . . . . . . . 5796 1 511 . 1 1 55 55 TYR CE1 C 13 118.4 0.1 . 3 . . . . . . . . 5796 1 512 . 1 1 55 55 TYR HE1 H 1 6.80 0.03 . 3 . . . . . . . . 5796 1 513 . 1 1 56 56 ASN N N 15 116.1 0.1 . 1 . . . . . . . . 5796 1 514 . 1 1 56 56 ASN H H 1 8.34 0.03 . 1 . . . . . . . . 5796 1 515 . 1 1 56 56 ASN CA C 13 51.4 0.1 . 1 . . . . . . . . 5796 1 516 . 1 1 56 56 ASN HA H 1 4.80 0.03 . 1 . . . . . . . . 5796 1 517 . 1 1 56 56 ASN CB C 13 37.4 0.1 . 1 . . . . . . . . 5796 1 518 . 1 1 56 56 ASN HB2 H 1 2.64 0.03 . 2 . . . . . . . . 5796 1 519 . 1 1 56 56 ASN HB3 H 1 2.95 0.03 . 2 . . . . . . . . 5796 1 520 . 1 1 57 57 ARG N N 15 123.8 0.1 . 1 . . . . . . . . 5796 1 521 . 1 1 57 57 ARG H H 1 8.78 0.03 . 1 . . . . . . . . 5796 1 522 . 1 1 57 57 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 5796 1 523 . 1 1 57 57 ARG HA H 1 3.85 0.03 . 1 . . . . . . . . 5796 1 524 . 1 1 57 57 ARG CB C 13 30.0 0.1 . 1 . . . . . . . . 5796 1 525 . 1 1 57 57 ARG HB2 H 1 1.85 0.03 . 2 . . . . . . . . 5796 1 526 . 1 1 57 57 ARG HB3 H 1 1.97 0.03 . 2 . . . . . . . . 5796 1 527 . 1 1 57 57 ARG CG C 13 28.5 0.1 . 1 . . . . . . . . 5796 1 528 . 1 1 57 57 ARG HG2 H 1 1.85 0.03 . 2 . . . . . . . . 5796 1 529 . 1 1 57 57 ARG HG3 H 1 2.00 0.03 . 2 . . . . . . . . 5796 1 530 . 1 1 57 57 ARG CD C 13 43.7 0.1 . 1 . . . . . . . . 5796 1 531 . 1 1 57 57 ARG HD2 H 1 3.21 0.03 . 2 . . . . . . . . 5796 1 532 . 1 1 57 57 ARG HD3 H 1 3.33 0.03 . 2 . . . . . . . . 5796 1 533 . 1 1 58 58 GLU N N 15 120.2 0.1 . 1 . . . . . . . . 5796 1 534 . 1 1 58 58 GLU H H 1 8.59 0.03 . 1 . . . . . . . . 5796 1 535 . 1 1 58 58 GLU CA C 13 58.6 0.1 . 1 . . . . . . . . 5796 1 536 . 1 1 58 58 GLU HA H 1 4.19 0.03 . 1 . . . . . . . . 5796 1 537 . 1 1 58 58 GLU CB C 13 28.5 0.1 . 1 . . . . . . . . 5796 1 538 . 1 1 58 58 GLU HB3 H 1 2.08 0.03 . 2 . . . . . . . . 5796 1 539 . 1 1 58 58 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5796 1 540 . 1 1 58 58 GLU HG2 H 1 2.28 0.03 . 2 . . . . . . . . 5796 1 541 . 1 1 58 58 GLU HG3 H 1 2.40 0.03 . 2 . . . . . . . . 5796 1 542 . 1 1 59 59 GLN N N 15 115.9 0.1 . 1 . . . . . . . . 5796 1 543 . 1 1 59 59 GLN H H 1 8.08 0.03 . 1 . . . . . . . . 5796 1 544 . 1 1 59 59 GLN CA C 13 54.5 0.1 . 1 . . . . . . . . 5796 1 545 . 1 1 59 59 GLN HA H 1 4.62 0.03 . 1 . . . . . . . . 5796 1 546 . 1 1 59 59 GLN CB C 13 28.7 0.1 . 1 . . . . . . . . 5796 1 547 . 1 1 59 59 GLN HB2 H 1 2.07 0.03 . 2 . . . . . . . . 5796 1 548 . 1 1 59 59 GLN HB3 H 1 2.42 0.03 . 2 . . . . . . . . 5796 1 549 . 1 1 59 59 GLN CG C 13 33.3 0.1 . 1 . . . . . . . . 5796 1 550 . 1 1 59 59 GLN HG3 H 1 2.33 0.03 . 2 . . . . . . . . 5796 1 551 . 1 1 60 60 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 5796 1 552 . 1 1 60 60 ILE H H 1 7.37 0.03 . 1 . . . . . . . . 5796 1 553 . 1 1 60 60 ILE CA C 13 62.3 0.1 . 1 . . . . . . . . 5796 1 554 . 1 1 60 60 ILE HA H 1 4.25 0.03 . 1 . . . . . . . . 5796 1 555 . 1 1 60 60 ILE CB C 13 37.9 0.1 . 1 . . . . . . . . 5796 1 556 . 1 1 60 60 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 5796 1 557 . 1 1 60 60 ILE CG1 C 13 27.7 0.1 . 1 . . . . . . . . 5796 1 558 . 1 1 60 60 ILE HG13 H 1 1.50 0.03 . 2 . . . . . . . . 5796 1 559 . 1 1 60 60 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 5796 1 560 . 1 1 60 60 ILE HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 561 . 1 1 60 60 ILE HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 562 . 1 1 60 60 ILE HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 563 . 1 1 60 60 ILE CG2 C 13 19.2 0.1 . 1 . . . . . . . . 5796 1 564 . 1 1 60 60 ILE HG21 H 1 1.08 0.03 . 1 . . . . . . . . 5796 1 565 . 1 1 60 60 ILE HG22 H 1 1.08 0.03 . 1 . . . . . . . . 5796 1 566 . 1 1 60 60 ILE HG23 H 1 1.08 0.03 . 1 . . . . . . . . 5796 1 567 . 1 1 61 61 ASP N N 15 122.1 0.1 . 1 . . . . . . . . 5796 1 568 . 1 1 61 61 ASP H H 1 8.46 0.03 . 1 . . . . . . . . 5796 1 569 . 1 1 61 61 ASP CA C 13 58.4 0.1 . 1 . . . . . . . . 5796 1 570 . 1 1 61 61 ASP HA H 1 4.45 0.03 . 1 . . . . . . . . 5796 1 571 . 1 1 61 61 ASP CB C 13 38.6 0.1 . 1 . . . . . . . . 5796 1 572 . 1 1 61 61 ASP HB3 H 1 2.57 0.03 . 2 . . . . . . . . 5796 1 573 . 1 1 62 62 ARG N N 15 122.0 0.1 . 1 . . . . . . . . 5796 1 574 . 1 1 62 62 ARG H H 1 7.69 0.03 . 1 . . . . . . . . 5796 1 575 . 1 1 62 62 ARG CA C 13 58.6 0.1 . 1 . . . . . . . . 5796 1 576 . 1 1 62 62 ARG HA H 1 4.15 0.03 . 1 . . . . . . . . 5796 1 577 . 1 1 62 62 ARG CB C 13 30.4 0.1 . 1 . . . . . . . . 5796 1 578 . 1 1 62 62 ARG HB3 H 1 1.97 0.03 . 2 . . . . . . . . 5796 1 579 . 1 1 62 62 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5796 1 580 . 1 1 62 62 ARG HG2 H 1 1.66 0.03 . 2 . . . . . . . . 5796 1 581 . 1 1 62 62 ARG HG3 H 1 1.77 0.03 . 2 . . . . . . . . 5796 1 582 . 1 1 62 62 ARG CD C 13 43.0 0.1 . 1 . . . . . . . . 5796 1 583 . 1 1 62 62 ARG HD2 H 1 3.16 0.03 . 2 . . . . . . . . 5796 1 584 . 1 1 62 62 ARG HD3 H 1 3.24 0.03 . 2 . . . . . . . . 5796 1 585 . 1 1 63 63 VAL N N 15 122.9 0.1 . 1 . . . . . . . . 5796 1 586 . 1 1 63 63 VAL H H 1 7.99 0.03 . 1 . . . . . . . . 5796 1 587 . 1 1 63 63 VAL CA C 13 67.2 0.1 . 1 . . . . . . . . 5796 1 588 . 1 1 63 63 VAL HA H 1 3.46 0.03 . 1 . . . . . . . . 5796 1 589 . 1 1 63 63 VAL CB C 13 32.3 0.1 . 1 . . . . . . . . 5796 1 590 . 1 1 63 63 VAL HB H 1 2.19 0.03 . 1 . . . . . . . . 5796 1 591 . 1 1 63 63 VAL CG2 C 13 21.4 0.1 . 1 . . . . . . . . 5796 1 592 . 1 1 63 63 VAL HG21 H 1 0.89 0.03 . 2 . . . . . . . . 5796 1 593 . 1 1 63 63 VAL HG22 H 1 0.89 0.03 . 2 . . . . . . . . 5796 1 594 . 1 1 63 63 VAL HG23 H 1 0.89 0.03 . 2 . . . . . . . . 5796 1 595 . 1 1 63 63 VAL CG1 C 13 22.9 0.1 . 1 . . . . . . . . 5796 1 596 . 1 1 63 63 VAL HG11 H 1 0.99 0.03 . 2 . . . . . . . . 5796 1 597 . 1 1 63 63 VAL HG12 H 1 0.99 0.03 . 2 . . . . . . . . 5796 1 598 . 1 1 63 63 VAL HG13 H 1 0.99 0.03 . 2 . . . . . . . . 5796 1 599 . 1 1 64 64 VAL N N 15 120.4 0.1 . 1 . . . . . . . . 5796 1 600 . 1 1 64 64 VAL H H 1 8.76 0.03 . 1 . . . . . . . . 5796 1 601 . 1 1 64 64 VAL CA C 13 67.2 0.1 . 1 . . . . . . . . 5796 1 602 . 1 1 64 64 VAL HA H 1 3.24 0.03 . 1 . . . . . . . . 5796 1 603 . 1 1 64 64 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 5796 1 604 . 1 1 64 64 VAL HB H 1 2.09 0.03 . 1 . . . . . . . . 5796 1 605 . 1 1 64 64 VAL CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5796 1 606 . 1 1 64 64 VAL HG21 H 1 0.78 0.03 . 1 . . . . . . . . 5796 1 607 . 1 1 64 64 VAL HG22 H 1 0.78 0.03 . 1 . . . . . . . . 5796 1 608 . 1 1 64 64 VAL HG23 H 1 0.78 0.03 . 1 . . . . . . . . 5796 1 609 . 1 1 64 64 VAL CG1 C 13 22.9 0.1 . 1 . . . . . . . . 5796 1 610 . 1 1 64 64 VAL HG11 H 1 0.84 0.03 . 1 . . . . . . . . 5796 1 611 . 1 1 64 64 VAL HG12 H 1 0.84 0.03 . 1 . . . . . . . . 5796 1 612 . 1 1 64 64 VAL HG13 H 1 0.84 0.03 . 1 . . . . . . . . 5796 1 613 . 1 1 65 65 GLY N N 15 105.0 0.1 . 1 . . . . . . . . 5796 1 614 . 1 1 65 65 GLY H H 1 7.90 0.03 . 1 . . . . . . . . 5796 1 615 . 1 1 65 65 GLY CA C 13 47.2 0.1 . 1 . . . . . . . . 5796 1 616 . 1 1 65 65 GLY HA2 H 1 3.93 0.03 . 2 . . . . . . . . 5796 1 617 . 1 1 66 66 ALA N N 15 125.6 0.1 . 1 . . . . . . . . 5796 1 618 . 1 1 66 66 ALA H H 1 8.00 0.03 . 1 . . . . . . . . 5796 1 619 . 1 1 66 66 ALA CA C 13 55.0 0.1 . 1 . . . . . . . . 5796 1 620 . 1 1 66 66 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . 5796 1 621 . 1 1 66 66 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 5796 1 622 . 1 1 66 66 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 5796 1 623 . 1 1 66 66 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 5796 1 624 . 1 1 66 66 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 5796 1 625 . 1 1 67 67 PHE N N 15 120.4 0.1 . 1 . . . . . . . . 5796 1 626 . 1 1 67 67 PHE H H 1 8.30 0.03 . 1 . . . . . . . . 5796 1 627 . 1 1 67 67 PHE CA C 13 62.9 0.1 . 1 . . . . . . . . 5796 1 628 . 1 1 67 67 PHE HA H 1 3.57 0.03 . 1 . . . . . . . . 5796 1 629 . 1 1 67 67 PHE CB C 13 37.0 0.1 . 1 . . . . . . . . 5796 1 630 . 1 1 67 67 PHE HB3 H 1 2.34 0.03 . 2 . . . . . . . . 5796 1 631 . 1 1 67 67 PHE CD1 C 13 132.2 0.1 . 3 . . . . . . . . 5796 1 632 . 1 1 67 67 PHE HD1 H 1 6.64 0.03 . 3 . . . . . . . . 5796 1 633 . 1 1 67 67 PHE CE1 C 13 130.6 0.1 . 3 . . . . . . . . 5796 1 634 . 1 1 67 67 PHE HE1 H 1 6.82 0.03 . 3 . . . . . . . . 5796 1 635 . 1 1 67 67 PHE CZ C 13 130.3 0.1 . 1 . . . . . . . . 5796 1 636 . 1 1 67 67 PHE HZ H 1 7.09 0.03 . 1 . . . . . . . . 5796 1 637 . 1 1 68 68 ASN N N 15 114.9 0.1 . 1 . . . . . . . . 5796 1 638 . 1 1 68 68 ASN H H 1 8.17 0.03 . 1 . . . . . . . . 5796 1 639 . 1 1 68 68 ASN CA C 13 56.8 0.1 . 1 . . . . . . . . 5796 1 640 . 1 1 68 68 ASN HA H 1 4.79 0.03 . 1 . . . . . . . . 5796 1 641 . 1 1 68 68 ASN CB C 13 38.3 0.1 . 1 . . . . . . . . 5796 1 642 . 1 1 68 68 ASN HB2 H 1 3.01 0.03 . 2 . . . . . . . . 5796 1 643 . 1 1 68 68 ASN HB3 H 1 2.93 0.03 . 2 . . . . . . . . 5796 1 644 . 1 1 69 69 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 5796 1 645 . 1 1 69 69 GLN H H 1 8.17 0.03 . 1 . . . . . . . . 5796 1 646 . 1 1 69 69 GLN CA C 13 58.6 0.1 . 1 . . . . . . . . 5796 1 647 . 1 1 69 69 GLN HA H 1 4.20 0.03 . 1 . . . . . . . . 5796 1 648 . 1 1 69 69 GLN CB C 13 28.5 0.1 . 1 . . . . . . . . 5796 1 649 . 1 1 69 69 GLN HB3 H 1 2.22 0.03 . 2 . . . . . . . . 5796 1 650 . 1 1 69 69 GLN CG C 13 34.4 0.1 . 1 . . . . . . . . 5796 1 651 . 1 1 69 69 GLN HG2 H 1 2.50 0.03 . 2 . . . . . . . . 5796 1 652 . 1 1 69 69 GLN HG3 H 1 2.59 0.03 . 2 . . . . . . . . 5796 1 653 . 1 1 70 70 ALA N N 15 121.4 0.1 . 1 . . . . . . . . 5796 1 654 . 1 1 70 70 ALA H H 1 7.36 0.03 . 1 . . . . . . . . 5796 1 655 . 1 1 70 70 ALA CA C 13 51.3 0.1 . 1 . . . . . . . . 5796 1 656 . 1 1 70 70 ALA HA H 1 4.71 0.03 . 1 . . . . . . . . 5796 1 657 . 1 1 70 70 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 5796 1 658 . 1 1 70 70 ALA HB1 H 1 1.30 0.03 . 1 . . . . . . . . 5796 1 659 . 1 1 70 70 ALA HB2 H 1 1.30 0.03 . 1 . . . . . . . . 5796 1 660 . 1 1 70 70 ALA HB3 H 1 1.30 0.03 . 1 . . . . . . . . 5796 1 661 . 1 1 71 71 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 5796 1 662 . 1 1 71 71 LYS H H 1 7.57 0.03 . 1 . . . . . . . . 5796 1 663 . 1 1 71 71 LYS CA C 13 61.1 0.1 . 1 . . . . . . . . 5796 1 664 . 1 1 71 71 LYS HA H 1 4.31 0.03 . 1 . . . . . . . . 5796 1 665 . 1 1 71 71 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 5796 1 666 . 1 1 71 71 LYS HB3 H 1 2.25 0.03 . 2 . . . . . . . . 5796 1 667 . 1 1 72 72 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 5796 1 668 . 1 1 72 72 GLY H H 1 9.10 0.03 . 1 . . . . . . . . 5796 1 669 . 1 1 72 72 GLY CA C 13 46.8 0.1 . 1 . . . . . . . . 5796 1 670 . 1 1 72 72 GLY HA2 H 1 3.92 0.03 . 2 . . . . . . . . 5796 1 671 . 1 1 73 73 VAL N N 15 122.6 0.1 . 1 . . . . . . . . 5796 1 672 . 1 1 73 73 VAL H H 1 7.61 0.03 . 1 . . . . . . . . 5796 1 673 . 1 1 73 73 VAL CA C 13 66.1 0.1 . 1 . . . . . . . . 5796 1 674 . 1 1 73 73 VAL HA H 1 3.64 0.03 . 1 . . . . . . . . 5796 1 675 . 1 1 73 73 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 5796 1 676 . 1 1 73 73 VAL HB H 1 1.76 0.03 . 1 . . . . . . . . 5796 1 677 . 1 1 73 73 VAL CG2 C 13 21.4 0.1 . 1 . . . . . . . . 5796 1 678 . 1 1 73 73 VAL HG21 H 1 0.88 0.03 . 2 . . . . . . . . 5796 1 679 . 1 1 73 73 VAL HG22 H 1 0.88 0.03 . 2 . . . . . . . . 5796 1 680 . 1 1 73 73 VAL HG23 H 1 0.88 0.03 . 2 . . . . . . . . 5796 1 681 . 1 1 73 73 VAL CG1 C 13 20.3 0.1 . 1 . . . . . . . . 5796 1 682 . 1 1 73 73 VAL HG11 H 1 0.50 0.03 . 2 . . . . . . . . 5796 1 683 . 1 1 73 73 VAL HG12 H 1 0.50 0.03 . 2 . . . . . . . . 5796 1 684 . 1 1 73 73 VAL HG13 H 1 0.50 0.03 . 2 . . . . . . . . 5796 1 685 . 1 1 74 74 PHE N N 15 115.6 0.1 . 1 . . . . . . . . 5796 1 686 . 1 1 74 74 PHE H H 1 7.13 0.03 . 1 . . . . . . . . 5796 1 687 . 1 1 74 74 PHE CA C 13 61.0 0.1 . 1 . . . . . . . . 5796 1 688 . 1 1 74 74 PHE HA H 1 4.20 0.03 . 1 . . . . . . . . 5796 1 689 . 1 1 74 74 PHE CB C 13 39.0 0.1 . 1 . . . . . . . . 5796 1 690 . 1 1 74 74 PHE HB3 H 1 3.06 0.03 . 2 . . . . . . . . 5796 1 691 . 1 1 74 74 PHE CD1 C 13 130.6 0.1 . 3 . . . . . . . . 5796 1 692 . 1 1 74 74 PHE HD1 H 1 6.80 0.03 . 3 . . . . . . . . 5796 1 693 . 1 1 74 74 PHE CE1 C 13 131.6 0.1 . 3 . . . . . . . . 5796 1 694 . 1 1 74 74 PHE HE1 H 1 7.35 0.03 . 3 . . . . . . . . 5796 1 695 . 1 1 74 74 PHE CZ C 13 130.4 0.1 . 1 . . . . . . . . 5796 1 696 . 1 1 74 74 PHE HZ H 1 6.70 0.03 . 1 . . . . . . . . 5796 1 697 . 1 1 75 75 SER N N 15 114.8 0.1 . 1 . . . . . . . . 5796 1 698 . 1 1 75 75 SER H H 1 9.06 0.03 . 1 . . . . . . . . 5796 1 699 . 1 1 75 75 SER CA C 13 62.3 0.1 . 1 . . . . . . . . 5796 1 700 . 1 1 75 75 SER HA H 1 3.97 0.03 . 1 . . . . . . . . 5796 1 701 . 1 1 75 75 SER CB C 13 62.7 0.1 . 1 . . . . . . . . 5796 1 702 . 1 1 75 75 SER HB3 H 1 4.04 0.03 . 2 . . . . . . . . 5796 1 703 . 1 1 76 76 ARG N N 15 122.0 0.1 . 1 . . . . . . . . 5796 1 704 . 1 1 76 76 ARG H H 1 7.45 0.03 . 1 . . . . . . . . 5796 1 705 . 1 1 76 76 ARG CA C 13 59.7 0.1 . 1 . . . . . . . . 5796 1 706 . 1 1 76 76 ARG HA H 1 4.09 0.03 . 1 . . . . . . . . 5796 1 707 . 1 1 76 76 ARG CB C 13 30.3 0.1 . 1 . . . . . . . . 5796 1 708 . 1 1 76 76 ARG HB2 H 1 1.88 0.03 . 2 . . . . . . . . 5796 1 709 . 1 1 76 76 ARG HB3 H 1 1.95 0.03 . 2 . . . . . . . . 5796 1 710 . 1 1 76 76 ARG CG C 13 27.0 0.1 . 1 . . . . . . . . 5796 1 711 . 1 1 76 76 ARG HG2 H 1 1.53 0.03 . 2 . . . . . . . . 5796 1 712 . 1 1 76 76 ARG HG3 H 1 1.69 0.03 . 2 . . . . . . . . 5796 1 713 . 1 1 76 76 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 5796 1 714 . 1 1 76 76 ARG HD3 H 1 3.18 0.03 . 2 . . . . . . . . 5796 1 715 . 1 1 77 77 VAL N N 15 119.1 0.1 . 1 . . . . . . . . 5796 1 716 . 1 1 77 77 VAL H H 1 7.68 0.03 . 1 . . . . . . . . 5796 1 717 . 1 1 77 77 VAL CA C 13 66.4 0.1 . 1 . . . . . . . . 5796 1 718 . 1 1 77 77 VAL HA H 1 3.77 0.03 . 1 . . . . . . . . 5796 1 719 . 1 1 77 77 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5796 1 720 . 1 1 77 77 VAL HB H 1 2.20 0.03 . 1 . . . . . . . . 5796 1 721 . 1 1 77 77 VAL CG2 C 13 22.0 0.1 . 1 . . . . . . . . 5796 1 722 . 1 1 77 77 VAL HG21 H 1 1.12 0.03 . 1 . . . . . . . . 5796 1 723 . 1 1 77 77 VAL HG22 H 1 1.12 0.03 . 1 . . . . . . . . 5796 1 724 . 1 1 77 77 VAL HG23 H 1 1.12 0.03 . 1 . . . . . . . . 5796 1 725 . 1 1 77 77 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . 5796 1 726 . 1 1 77 77 VAL HG11 H 1 0.99 0.03 . 1 . . . . . . . . 5796 1 727 . 1 1 77 77 VAL HG12 H 1 0.99 0.03 . 1 . . . . . . . . 5796 1 728 . 1 1 77 77 VAL HG13 H 1 0.99 0.03 . 1 . . . . . . . . 5796 1 729 . 1 1 78 78 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5796 1 730 . 1 1 78 78 LEU H H 1 8.38 0.03 . 1 . . . . . . . . 5796 1 731 . 1 1 78 78 LEU CA C 13 59.9 0.1 . 1 . . . . . . . . 5796 1 732 . 1 1 78 78 LEU HA H 1 3.92 0.03 . 1 . . . . . . . . 5796 1 733 . 1 1 78 78 LEU CB C 13 40.8 0.1 . 1 . . . . . . . . 5796 1 734 . 1 1 78 78 LEU HB2 H 1 1.40 0.03 . 2 . . . . . . . . 5796 1 735 . 1 1 78 78 LEU HB3 H 1 1.87 0.03 . 2 . . . . . . . . 5796 1 736 . 1 1 78 78 LEU CG C 13 27.7 0.1 . 1 . . . . . . . . 5796 1 737 . 1 1 78 78 LEU HG H 1 2.03 0.03 . 1 . . . . . . . . 5796 1 738 . 1 1 78 78 LEU CD1 C 13 25.1 0.1 . 1 . . . . . . . . 5796 1 739 . 1 1 78 78 LEU HD11 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 740 . 1 1 78 78 LEU HD12 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 741 . 1 1 78 78 LEU HD13 H 1 0.77 0.03 . 1 . . . . . . . . 5796 1 742 . 1 1 78 78 LEU CD2 C 13 24.0 0.1 . 1 . . . . . . . . 5796 1 743 . 1 1 78 78 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 744 . 1 1 78 78 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 745 . 1 1 78 78 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 5796 1 746 . 1 1 79 79 ALA N N 15 120.3 0.1 . 1 . . . . . . . . 5796 1 747 . 1 1 79 79 ALA H H 1 8.10 0.03 . 1 . . . . . . . . 5796 1 748 . 1 1 79 79 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5796 1 749 . 1 1 79 79 ALA HA H 1 4.10 0.03 . 1 . . . . . . . . 5796 1 750 . 1 1 79 79 ALA CB C 13 18.1 0.1 . 1 . . . . . . . . 5796 1 751 . 1 1 79 79 ALA HB1 H 1 1.42 0.03 . 1 . . . . . . . . 5796 1 752 . 1 1 79 79 ALA HB2 H 1 1.42 0.03 . 1 . . . . . . . . 5796 1 753 . 1 1 79 79 ALA HB3 H 1 1.42 0.03 . 1 . . . . . . . . 5796 1 754 . 1 1 80 80 HIS N N 15 113.8 0.1 . 1 . . . . . . . . 5796 1 755 . 1 1 80 80 HIS H H 1 7.92 0.03 . 1 . . . . . . . . 5796 1 756 . 1 1 80 80 HIS CA C 13 57.8 0.1 . 1 . . . . . . . . 5796 1 757 . 1 1 80 80 HIS HA H 1 4.38 0.03 . 1 . . . . . . . . 5796 1 758 . 1 1 80 80 HIS CB C 13 31.3 0.1 . 1 . . . . . . . . 5796 1 759 . 1 1 80 80 HIS HB3 H 1 3.12 0.03 . 2 . . . . . . . . 5796 1 760 . 1 1 81 81 ASN N N 15 113.2 0.1 . 1 . . . . . . . . 5796 1 761 . 1 1 81 81 ASN H H 1 7.64 0.03 . 1 . . . . . . . . 5796 1 762 . 1 1 81 81 ASN CA C 13 55.0 0.1 . 1 . . . . . . . . 5796 1 763 . 1 1 81 81 ASN HA H 1 4.57 0.03 . 1 . . . . . . . . 5796 1 764 . 1 1 81 81 ASN CB C 13 42.0 0.1 . 1 . . . . . . . . 5796 1 765 . 1 1 81 81 ASN HB3 H 1 2.60 0.03 . 2 . . . . . . . . 5796 1 766 . 1 1 82 82 LEU N N 15 117.5 0.1 . 1 . . . . . . . . 5796 1 767 . 1 1 82 82 LEU H H 1 7.78 0.03 . 1 . . . . . . . . 5796 1 768 . 1 1 82 82 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5796 1 769 . 1 1 82 82 LEU HA H 1 4.50 0.03 . 1 . . . . . . . . 5796 1 770 . 1 1 82 82 LEU CB C 13 43.0 0.1 . 1 . . . . . . . . 5796 1 771 . 1 1 82 82 LEU HB2 H 1 1.46 0.03 . 2 . . . . . . . . 5796 1 772 . 1 1 82 82 LEU HB3 H 1 1.74 0.03 . 2 . . . . . . . . 5796 1 773 . 1 1 82 82 LEU HG H 1 1.40 0.03 . 1 . . . . . . . . 5796 1 774 . 1 1 82 82 LEU CD1 C 13 22.9 0.1 . 2 . . . . . . . . 5796 1 775 . 1 1 82 82 LEU HD11 H 1 0.82 0.03 . 2 . . . . . . . . 5796 1 776 . 1 1 82 82 LEU HD12 H 1 0.82 0.03 . 2 . . . . . . . . 5796 1 777 . 1 1 82 82 LEU HD13 H 1 0.82 0.03 . 2 . . . . . . . . 5796 1 778 . 1 1 83 83 TYR N N 15 117.0 0.1 . 1 . . . . . . . . 5796 1 779 . 1 1 83 83 TYR H H 1 7.57 0.03 . 1 . . . . . . . . 5796 1 780 . 1 1 83 83 TYR CA C 13 57.9 0.1 . 1 . . . . . . . . 5796 1 781 . 1 1 83 83 TYR HA H 1 4.38 0.03 . 1 . . . . . . . . 5796 1 782 . 1 1 83 83 TYR CB C 13 35.8 0.1 . 1 . . . . . . . . 5796 1 783 . 1 1 83 83 TYR HB3 H 1 3.02 0.03 . 2 . . . . . . . . 5796 1 784 . 1 1 83 83 TYR CD1 C 13 133.0 0.1 . 3 . . . . . . . . 5796 1 785 . 1 1 83 83 TYR HD1 H 1 7.16 0.03 . 3 . . . . . . . . 5796 1 786 . 1 1 84 84 LEU N N 15 119.4 0.1 . 1 . . . . . . . . 5796 1 787 . 1 1 84 84 LEU H H 1 7.17 0.03 . 1 . . . . . . . . 5796 1 788 . 1 1 84 84 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5796 1 789 . 1 1 84 84 LEU HA H 1 4.38 0.03 . 1 . . . . . . . . 5796 1 790 . 1 1 84 84 LEU CB C 13 43.2 0.1 . 1 . . . . . . . . 5796 1 791 . 1 1 84 84 LEU HB3 H 1 1.44 0.03 . 2 . . . . . . . . 5796 1 792 . 1 1 84 84 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5796 1 793 . 1 1 84 84 LEU HG H 1 1.48 0.03 . 1 . . . . . . . . 5796 1 794 . 1 1 84 84 LEU CD1 C 13 23.3 0.1 . 1 . . . . . . . . 5796 1 795 . 1 1 84 84 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5796 1 796 . 1 1 84 84 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5796 1 797 . 1 1 84 84 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5796 1 798 . 1 1 84 84 LEU CD2 C 13 25.9 0.1 . 1 . . . . . . . . 5796 1 799 . 1 1 84 84 LEU HD21 H 1 0.80 0.03 . 1 . . . . . . . . 5796 1 800 . 1 1 84 84 LEU HD22 H 1 0.80 0.03 . 1 . . . . . . . . 5796 1 801 . 1 1 84 84 LEU HD23 H 1 0.80 0.03 . 1 . . . . . . . . 5796 1 802 . 1 1 85 85 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 5796 1 803 . 1 1 85 85 ALA H H 1 8.42 0.03 . 1 . . . . . . . . 5796 1 804 . 1 1 85 85 ALA CA C 13 53.0 0.1 . 1 . . . . . . . . 5796 1 805 . 1 1 85 85 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 5796 1 806 . 1 1 85 85 ALA CB C 13 19.2 0.1 . 1 . . . . . . . . 5796 1 807 . 1 1 85 85 ALA HB1 H 1 1.35 0.03 . 1 . . . . . . . . 5796 1 808 . 1 1 85 85 ALA HB2 H 1 1.35 0.03 . 1 . . . . . . . . 5796 1 809 . 1 1 85 85 ALA HB3 H 1 1.35 0.03 . 1 . . . . . . . . 5796 1 810 . 1 1 86 86 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 5796 1 811 . 1 1 86 86 LYS H H 1 7.89 0.03 . 1 . . . . . . . . 5796 1 812 . 1 1 86 86 LYS CA C 13 57.1 0.1 . 1 . . . . . . . . 5796 1 813 . 1 1 86 86 LYS HA H 1 4.08 0.03 . 1 . . . . . . . . 5796 1 814 . 1 1 86 86 LYS CB C 13 33.3 0.1 . 1 . . . . . . . . 5796 1 815 . 1 1 86 86 LYS HB2 H 1 1.83 0.03 . 2 . . . . . . . . 5796 1 816 . 1 1 86 86 LYS HB3 H 1 1.73 0.03 . 2 . . . . . . . . 5796 1 817 . 1 1 86 86 LYS CG C 13 25.1 0.1 . 1 . . . . . . . . 5796 1 818 . 1 1 86 86 LYS HG3 H 1 1.43 0.03 . 2 . . . . . . . . 5796 1 819 . 1 1 86 86 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5796 1 820 . 1 1 86 86 LYS HD3 H 1 1.68 0.03 . 2 . . . . . . . . 5796 1 821 . 1 1 86 86 LYS CE C 13 42.6 0.1 . 1 . . . . . . . . 5796 1 822 . 1 1 86 86 LYS HE3 H 1 2.99 0.03 . 2 . . . . . . . . 5796 1 823 . 1 1 87 87 ALA N N 15 120.3 0.1 . 1 . . . . . . . . 5796 1 824 . 1 1 87 87 ALA H H 1 7.81 0.03 . 1 . . . . . . . . 5796 1 825 . 1 1 87 87 ALA CA C 13 51.8 0.1 . 1 . . . . . . . . 5796 1 826 . 1 1 87 87 ALA HA H 1 4.29 0.03 . 1 . . . . . . . . 5796 1 827 . 1 1 87 87 ALA CB C 13 18.4 0.1 . 1 . . . . . . . . 5796 1 828 . 1 1 87 87 ALA HB1 H 1 1.29 0.03 . 1 . . . . . . . . 5796 1 829 . 1 1 87 87 ALA HB2 H 1 1.29 0.03 . 1 . . . . . . . . 5796 1 830 . 1 1 87 87 ALA HB3 H 1 1.29 0.03 . 1 . . . . . . . . 5796 1 831 . 1 1 88 88 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 5796 1 832 . 1 1 88 88 VAL H H 1 7.57 0.03 . 1 . . . . . . . . 5796 1 833 . 1 1 88 88 VAL CA C 13 62.0 0.1 . 1 . . . . . . . . 5796 1 834 . 1 1 88 88 VAL HA H 1 3.93 0.03 . 1 . . . . . . . . 5796 1 835 . 1 1 88 88 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5796 1 836 . 1 1 88 88 VAL HB H 1 2.04 0.03 . 1 . . . . . . . . 5796 1 837 . 1 1 88 88 VAL CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5796 1 838 . 1 1 88 88 VAL HG21 H 1 0.73 0.03 . 1 . . . . . . . . 5796 1 839 . 1 1 88 88 VAL HG22 H 1 0.73 0.03 . 1 . . . . . . . . 5796 1 840 . 1 1 88 88 VAL HG23 H 1 0.73 0.03 . 1 . . . . . . . . 5796 1 841 . 1 1 88 88 VAL CG1 C 13 20.7 0.1 . 1 . . . . . . . . 5796 1 842 . 1 1 88 88 VAL HG11 H 1 0.71 0.03 . 1 . . . . . . . . 5796 1 843 . 1 1 88 88 VAL HG12 H 1 0.71 0.03 . 1 . . . . . . . . 5796 1 844 . 1 1 88 88 VAL HG13 H 1 0.71 0.03 . 1 . . . . . . . . 5796 1 845 . 1 1 89 89 GLN N N 15 126.2 0.1 . 1 . . . . . . . . 5796 1 846 . 1 1 89 89 GLN H H 1 8.16 0.03 . 1 . . . . . . . . 5796 1 847 . 1 1 89 89 GLN CA C 13 54.5 0.1 . 1 . . . . . . . . 5796 1 848 . 1 1 89 89 GLN HA H 1 4.47 0.03 . 1 . . . . . . . . 5796 1 849 . 1 1 89 89 GLN CB C 13 31.5 0.1 . 1 . . . . . . . . 5796 1 850 . 1 1 89 89 GLN HB3 H 1 1.88 0.03 . 2 . . . . . . . . 5796 1 851 . 1 1 89 89 GLN CG C 13 34.1 0.1 . 1 . . . . . . . . 5796 1 852 . 1 1 89 89 GLN HG2 H 1 2.23 0.03 . 2 . . . . . . . . 5796 1 853 . 1 1 89 89 GLN HG3 H 1 2.31 0.03 . 2 . . . . . . . . 5796 1 854 . 1 1 90 90 ILE N N 15 123.0 0.1 . 1 . . . . . . . . 5796 1 855 . 1 1 90 90 ILE H H 1 8.29 0.03 . 1 . . . . . . . . 5796 1 856 . 1 1 90 90 ILE CA C 13 59.4 0.1 . 1 . . . . . . . . 5796 1 857 . 1 1 90 90 ILE HA H 1 4.55 0.03 . 1 . . . . . . . . 5796 1 858 . 1 1 90 90 ILE CB C 13 40.0 0.1 . 1 . . . . . . . . 5796 1 859 . 1 1 90 90 ILE HB H 1 1.25 0.03 . 1 . . . . . . . . 5796 1 860 . 1 1 90 90 ILE CG1 C 13 27.4 0.1 . 1 . . . . . . . . 5796 1 861 . 1 1 90 90 ILE HG12 H 1 0.43 0.03 . 2 . . . . . . . . 5796 1 862 . 1 1 90 90 ILE HG13 H 1 1.29 0.03 . 2 . . . . . . . . 5796 1 863 . 1 1 90 90 ILE CD1 C 13 14.7 0.1 . 1 . . . . . . . . 5796 1 864 . 1 1 90 90 ILE HD11 H 1 0.64 0.03 . 1 . . . . . . . . 5796 1 865 . 1 1 90 90 ILE HD12 H 1 0.64 0.03 . 1 . . . . . . . . 5796 1 866 . 1 1 90 90 ILE HD13 H 1 0.64 0.03 . 1 . . . . . . . . 5796 1 867 . 1 1 90 90 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5796 1 868 . 1 1 90 90 ILE HG21 H 1 0.14 0.03 . 1 . . . . . . . . 5796 1 869 . 1 1 90 90 ILE HG22 H 1 0.14 0.03 . 1 . . . . . . . . 5796 1 870 . 1 1 90 90 ILE HG23 H 1 0.14 0.03 . 1 . . . . . . . . 5796 1 871 . 1 1 91 91 HIS N N 15 125.4 0.1 . 1 . . . . . . . . 5796 1 872 . 1 1 91 91 HIS H H 1 8.36 0.03 . 1 . . . . . . . . 5796 1 873 . 1 1 91 91 HIS CA C 13 54.3 0.1 . 1 . . . . . . . . 5796 1 874 . 1 1 91 91 HIS HA H 1 4.80 0.03 . 1 . . . . . . . . 5796 1 875 . 1 1 91 91 HIS CB C 13 32.5 0.1 . 1 . . . . . . . . 5796 1 876 . 1 1 91 91 HIS HB3 H 1 2.95 0.03 . 2 . . . . . . . . 5796 1 877 . 1 1 91 91 HIS CD2 C 13 120.2 0.1 . 1 . . . . . . . . 5796 1 878 . 1 1 91 91 HIS HD2 H 1 6.73 0.03 . 1 . . . . . . . . 5796 1 879 . 1 1 92 92 PHE N N 15 123.8 0.1 . 1 . . . . . . . . 5796 1 880 . 1 1 92 92 PHE H H 1 8.78 0.03 . 1 . . . . . . . . 5796 1 881 . 1 1 92 92 PHE CA C 13 57.2 0.1 . 1 . . . . . . . . 5796 1 882 . 1 1 92 92 PHE HA H 1 5.11 0.03 . 1 . . . . . . . . 5796 1 883 . 1 1 92 92 PHE CB C 13 39.5 0.1 . 1 . . . . . . . . 5796 1 884 . 1 1 92 92 PHE HB2 H 1 2.89 0.03 . 2 . . . . . . . . 5796 1 885 . 1 1 92 92 PHE HB3 H 1 2.58 0.03 . 2 . . . . . . . . 5796 1 886 . 1 1 92 92 PHE CD1 C 13 132.5 0.1 . 3 . . . . . . . . 5796 1 887 . 1 1 92 92 PHE HD1 H 1 7.00 0.03 . 3 . . . . . . . . 5796 1 888 . 1 1 92 92 PHE CE1 C 13 130.9 0.1 . 3 . . . . . . . . 5796 1 889 . 1 1 92 92 PHE HE1 H 1 6.83 0.03 . 3 . . . . . . . . 5796 1 890 . 1 1 92 92 PHE CZ C 13 128.9 0.1 . 1 . . . . . . . . 5796 1 891 . 1 1 92 92 PHE HZ H 1 6.32 0.03 . 1 . . . . . . . . 5796 1 892 . 1 1 93 93 VAL N N 15 119.0 0.1 . 1 . . . . . . . . 5796 1 893 . 1 1 93 93 VAL H H 1 8.69 0.03 . 1 . . . . . . . . 5796 1 894 . 1 1 93 93 VAL CA C 13 59.4 0.1 . 1 . . . . . . . . 5796 1 895 . 1 1 93 93 VAL HA H 1 4.42 0.03 . 1 . . . . . . . . 5796 1 896 . 1 1 93 93 VAL CB C 13 36.3 0.1 . 1 . . . . . . . . 5796 1 897 . 1 1 93 93 VAL HB H 1 1.75 0.03 . 1 . . . . . . . . 5796 1 898 . 1 1 93 93 VAL CG2 C 13 20.7 0.1 . 1 . . . . . . . . 5796 1 899 . 1 1 93 93 VAL HG21 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 900 . 1 1 93 93 VAL HG22 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 901 . 1 1 93 93 VAL HG23 H 1 0.29 0.03 . 1 . . . . . . . . 5796 1 902 . 1 1 93 93 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . 5796 1 903 . 1 1 93 93 VAL HG11 H 1 0.69 0.03 . 1 . . . . . . . . 5796 1 904 . 1 1 93 93 VAL HG12 H 1 0.69 0.03 . 1 . . . . . . . . 5796 1 905 . 1 1 93 93 VAL HG13 H 1 0.69 0.03 . 1 . . . . . . . . 5796 1 906 . 1 1 94 94 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 5796 1 907 . 1 1 94 94 LYS H H 1 8.46 0.03 . 1 . . . . . . . . 5796 1 908 . 1 1 94 94 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5796 1 909 . 1 1 94 94 LYS HA H 1 4.34 0.03 . 1 . . . . . . . . 5796 1 910 . 1 1 94 94 LYS CB C 13 33.7 0.1 . 1 . . . . . . . . 5796 1 911 . 1 1 94 94 LYS HB2 H 1 1.73 0.03 . 2 . . . . . . . . 5796 1 912 . 1 1 94 94 LYS HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5796 1 913 . 1 1 94 94 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5796 1 914 . 1 1 94 94 LYS HG3 H 1 1.44 0.03 . 2 . . . . . . . . 5796 1 915 . 1 1 94 94 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5796 1 916 . 1 1 94 94 LYS HD3 H 1 1.68 0.03 . 2 . . . . . . . . 5796 1 917 . 1 1 94 94 LYS CE C 13 42.6 0.1 . 1 . . . . . . . . 5796 1 918 . 1 1 94 94 LYS HE3 H 1 2.99 0.03 . 2 . . . . . . . . 5796 1 919 . 1 1 95 95 ASP N N 15 123.0 0.1 . 1 . . . . . . . . 5796 1 920 . 1 1 95 95 ASP H H 1 8.97 0.03 . 1 . . . . . . . . 5796 1 921 . 1 1 95 95 ASP CA C 13 49.0 0.1 . 1 . . . . . . . . 5796 1 922 . 1 1 95 95 ASP HA H 1 3.48 0.03 . 1 . . . . . . . . 5796 1 923 . 1 1 95 95 ASP CB C 13 43.0 0.1 . 1 . . . . . . . . 5796 1 924 . 1 1 95 95 ASP HB3 H 1 3.48 0.03 . 2 . . . . . . . . 5796 1 925 . 1 1 96 96 LYS N N 15 125.4 0.1 . 1 . . . . . . . . 5796 1 926 . 1 1 96 96 LYS H H 1 8.36 0.03 . 1 . . . . . . . . 5796 1 927 . 1 1 96 96 LYS CA C 13 57.5 0.1 . 1 . . . . . . . . 5796 1 928 . 1 1 96 96 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 5796 1 929 . 1 1 96 96 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5796 1 930 . 1 1 96 96 LYS HB3 H 1 1.83 0.03 . 2 . . . . . . . . 5796 1 931 . 1 1 96 96 LYS CG C 13 25.1 0.1 . 1 . . . . . . . . 5796 1 932 . 1 1 96 96 LYS HG3 H 1 1.41 0.03 . 2 . . . . . . . . 5796 1 933 . 1 1 96 96 LYS CD C 13 27.0 0.1 . 1 . . . . . . . . 5796 1 934 . 1 1 96 96 LYS HD3 H 1 1.69 0.03 . 2 . . . . . . . . 5796 1 935 . 1 1 96 96 LYS CE C 13 42.6 0.1 . 1 . . . . . . . . 5796 1 936 . 1 1 96 96 LYS HE3 H 1 2.97 0.03 . 2 . . . . . . . . 5796 1 937 . 1 1 97 97 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 5796 1 938 . 1 1 97 97 ALA H H 1 8.65 0.03 . 1 . . . . . . . . 5796 1 939 . 1 1 97 97 ALA CA C 13 53.3 0.1 . 1 . . . . . . . . 5796 1 940 . 1 1 97 97 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 5796 1 941 . 1 1 97 97 ALA CB C 13 19.5 0.1 . 1 . . . . . . . . 5796 1 942 . 1 1 97 97 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 5796 1 943 . 1 1 97 97 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 5796 1 944 . 1 1 97 97 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 5796 1 945 . 1 1 98 98 ILE N N 15 117.9 0.1 . 1 . . . . . . . . 5796 1 946 . 1 1 98 98 ILE H H 1 7.67 0.03 . 1 . . . . . . . . 5796 1 947 . 1 1 98 98 ILE CA C 13 62.0 0.1 . 1 . . . . . . . . 5796 1 948 . 1 1 98 98 ILE HA H 1 3.97 0.03 . 1 . . . . . . . . 5796 1 949 . 1 1 98 98 ILE CB C 13 38.2 0.1 . 1 . . . . . . . . 5796 1 950 . 1 1 98 98 ILE HB H 1 1.88 0.03 . 1 . . . . . . . . 5796 1 951 . 1 1 98 98 ILE CG1 C 13 27.7 0.1 . 1 . . . . . . . . 5796 1 952 . 1 1 98 98 ILE HG12 H 1 1.09 0.03 . 2 . . . . . . . . 5796 1 953 . 1 1 98 98 ILE HG13 H 1 1.50 0.03 . 2 . . . . . . . . 5796 1 954 . 1 1 98 98 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 5796 1 955 . 1 1 98 98 ILE HD11 H 1 0.99 0.03 . 1 . . . . . . . . 5796 1 956 . 1 1 98 98 ILE HD12 H 1 0.99 0.03 . 1 . . . . . . . . 5796 1 957 . 1 1 98 98 ILE HD13 H 1 0.99 0.03 . 1 . . . . . . . . 5796 1 958 . 1 1 98 98 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5796 1 959 . 1 1 98 98 ILE HG21 H 1 0.93 0.03 . 1 . . . . . . . . 5796 1 960 . 1 1 98 98 ILE HG22 H 1 0.93 0.03 . 1 . . . . . . . . 5796 1 961 . 1 1 98 98 ILE HG23 H 1 0.93 0.03 . 1 . . . . . . . . 5796 1 962 . 1 1 99 99 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 5796 1 963 . 1 1 99 99 ASP H H 1 7.94 0.03 . 1 . . . . . . . . 5796 1 964 . 1 1 99 99 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 5796 1 965 . 1 1 99 99 ASP HA H 1 4.55 0.03 . 1 . . . . . . . . 5796 1 966 . 1 1 99 99 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . 5796 1 967 . 1 1 99 99 ASP HB3 H 1 2.62 0.03 . 2 . . . . . . . . 5796 1 968 . 1 1 100 100 ASN N N 15 119.0 0.1 . 1 . . . . . . . . 5796 1 969 . 1 1 100 100 ASN H H 1 8.13 0.03 . 1 . . . . . . . . 5796 1 970 . 1 1 100 100 ASN CA C 13 54.3 0.1 . 1 . . . . . . . . 5796 1 971 . 1 1 100 100 ASN HA H 1 4.55 0.03 . 1 . . . . . . . . 5796 1 972 . 1 1 100 100 ASN CB C 13 38.5 0.1 . 1 . . . . . . . . 5796 1 973 . 1 1 100 100 ASN HB3 H 1 2.75 0.03 . 2 . . . . . . . . 5796 1 974 . 1 1 101 101 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 5796 1 975 . 1 1 101 101 ALA H H 1 8.08 0.03 . 1 . . . . . . . . 5796 1 976 . 1 1 101 101 ALA CA C 13 53.6 0.1 . 1 . . . . . . . . 5796 1 977 . 1 1 101 101 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 5796 1 978 . 1 1 101 101 ALA CB C 13 19.6 0.1 . 1 . . . . . . . . 5796 1 979 . 1 1 101 101 ALA HB1 H 1 1.38 0.03 . 1 . . . . . . . . 5796 1 980 . 1 1 101 101 ALA HB2 H 1 1.38 0.03 . 1 . . . . . . . . 5796 1 981 . 1 1 101 101 ALA HB3 H 1 1.38 0.03 . 1 . . . . . . . . 5796 1 982 . 1 1 102 102 MET N N 15 118.0 0.1 . 1 . . . . . . . . 5796 1 983 . 1 1 102 102 MET H H 1 8.09 0.03 . 1 . . . . . . . . 5796 1 984 . 1 1 102 102 MET CA C 13 56.0 0.1 . 1 . . . . . . . . 5796 1 985 . 1 1 102 102 MET HA H 1 4.38 0.03 . 1 . . . . . . . . 5796 1 986 . 1 1 102 102 MET CB C 13 33.3 0.1 . 1 . . . . . . . . 5796 1 987 . 1 1 102 102 MET HB3 H 1 1.99 0.03 . 2 . . . . . . . . 5796 1 988 . 1 1 102 102 MET CG C 13 31.8 0.1 . 1 . . . . . . . . 5796 1 989 . 1 1 102 102 MET HG3 H 1 2.49 0.03 . 2 . . . . . . . . 5796 1 stop_ save_