################################### # 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 5561 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp_cond-1 _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 $sample-1 . 5561 1 . . 2 $sample-2 . 5561 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 MET HA H 1 4.02 0.01 . 1 . . . . . . . . 5561 1 2 . 1 1 1 1 MET HB2 H 1 2.12 0.01 . 1 . . . . . . . . 5561 1 3 . 1 1 1 1 MET HB3 H 1 2.12 0.01 . 1 . . . . . . . . 5561 1 4 . 1 1 1 1 MET HG2 H 1 2.60 0.01 . 1 . . . . . . . . 5561 1 5 . 1 1 1 1 MET HG3 H 1 2.60 0.01 . 1 . . . . . . . . 5561 1 6 . 1 1 2 2 ARG HA H 1 4.40 0.01 . 1 . . . . . . . . 5561 1 7 . 1 1 2 2 ARG HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5561 1 8 . 1 1 2 2 ARG HB3 H 1 1.78 0.01 . 2 . . . . . . . . 5561 1 9 . 1 1 2 2 ARG HG2 H 1 1.62 0.01 . 1 . . . . . . . . 5561 1 10 . 1 1 2 2 ARG HG3 H 1 1.62 0.01 . 1 . . . . . . . . 5561 1 11 . 1 1 2 2 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 5561 1 12 . 1 1 2 2 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 5561 1 13 . 1 1 3 3 SER N N 15 114.8 0.01 . 1 . . . . . . . . 5561 1 14 . 1 1 3 3 SER H H 1 8.44 0.01 . 1 . . . . . . . . 5561 1 15 . 1 1 3 3 SER HA H 1 4.53 0.01 . 1 . . . . . . . . 5561 1 16 . 1 1 3 3 SER HB2 H 1 3.79 0.01 . 1 . . . . . . . . 5561 1 17 . 1 1 3 3 SER HB3 H 1 3.79 0.01 . 1 . . . . . . . . 5561 1 18 . 1 1 4 4 LEU N N 15 124.5 0.01 . 1 . . . . . . . . 5561 1 19 . 1 1 4 4 LEU H H 1 8.41 0.01 . 1 . . . . . . . . 5561 1 20 . 1 1 4 4 LEU HA H 1 4.33 0.01 . 1 . . . . . . . . 5561 1 21 . 1 1 4 4 LEU HB2 H 1 1.60 0.01 . 2 . . . . . . . . 5561 1 22 . 1 1 4 4 LEU HB3 H 1 1.51 0.01 . 2 . . . . . . . . 5561 1 23 . 1 1 4 4 LEU HG H 1 1.59 0.01 . 1 . . . . . . . . 5561 1 24 . 1 1 4 4 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 5561 1 25 . 1 1 4 4 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 5561 1 26 . 1 1 4 4 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 5561 1 27 . 1 1 4 4 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 5561 1 28 . 1 1 4 4 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 5561 1 29 . 1 1 4 4 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 5561 1 30 . 1 1 5 5 GLU N N 15 121.8 0.01 . 1 . . . . . . . . 5561 1 31 . 1 1 5 5 GLU H H 1 8.34 0.01 . 1 . . . . . . . . 5561 1 32 . 1 1 5 5 GLU HA H 1 4.30 0.01 . 1 . . . . . . . . 5561 1 33 . 1 1 5 5 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 5561 1 34 . 1 1 5 5 GLU HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5561 1 35 . 1 1 5 5 GLU HG2 H 1 2.22 0.01 . 1 . . . . . . . . 5561 1 36 . 1 1 5 5 GLU HG3 H 1 2.22 0.01 . 1 . . . . . . . . 5561 1 37 . 1 1 6 6 THR N N 15 113.6 0.01 . 1 . . . . . . . . 5561 1 38 . 1 1 6 6 THR H H 1 7.97 0.01 . 1 . . . . . . . . 5561 1 39 . 1 1 6 6 THR HA H 1 4.32 0.01 . 1 . . . . . . . . 5561 1 40 . 1 1 6 6 THR HB H 1 4.17 0.01 . 1 . . . . . . . . 5561 1 41 . 1 1 6 6 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 5561 1 42 . 1 1 6 6 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 5561 1 43 . 1 1 6 6 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 5561 1 44 . 1 1 7 7 PHE N N 15 122.9 0.01 . 1 . . . . . . . . 5561 1 45 . 1 1 7 7 PHE H H 1 8.33 0.01 . 1 . . . . . . . . 5561 1 46 . 1 1 7 7 PHE HA H 1 4.70 0.01 . 1 . . . . . . . . 5561 1 47 . 1 1 7 7 PHE HB2 H 1 3.16 0.01 . 2 . . . . . . . . 5561 1 48 . 1 1 7 7 PHE HB3 H 1 3.04 0.01 . 2 . . . . . . . . 5561 1 49 . 1 1 7 7 PHE HD1 H 1 7.27 0.01 . 1 . . . . . . . . 5561 1 50 . 1 1 7 7 PHE HD2 H 1 7.27 0.01 . 1 . . . . . . . . 5561 1 51 . 1 1 7 7 PHE HE1 H 1 7.30 0.01 . 1 . . . . . . . . 5561 1 52 . 1 1 7 7 PHE HE2 H 1 7.30 0.01 . 1 . . . . . . . . 5561 1 53 . 1 1 7 7 PHE HZ H 1 7.28 0.01 . 1 . . . . . . . . 5561 1 54 . 1 1 8 8 VAL N N 15 121.8 0.01 . 1 . . . . . . . . 5561 1 55 . 1 1 8 8 VAL H H 1 8.02 0.01 . 1 . . . . . . . . 5561 1 56 . 1 1 8 8 VAL HA H 1 3.92 0.01 . 1 . . . . . . . . 5561 1 57 . 1 1 8 8 VAL HB H 1 1.81 0.01 . 1 . . . . . . . . 5561 1 58 . 1 1 8 8 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 5561 1 59 . 1 1 8 8 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 5561 1 60 . 1 1 8 8 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 5561 1 61 . 1 1 8 8 VAL HG21 H 1 0.71 0.01 . 2 . . . . . . . . 5561 1 62 . 1 1 8 8 VAL HG22 H 1 0.71 0.01 . 2 . . . . . . . . 5561 1 63 . 1 1 8 8 VAL HG23 H 1 0.71 0.01 . 2 . . . . . . . . 5561 1 64 . 1 1 9 9 GLY N N 15 113.2 0.01 . 1 . . . . . . . . 5561 1 65 . 1 1 9 9 GLY H H 1 8.23 0.01 . 1 . . . . . . . . 5561 1 66 . 1 1 9 9 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 5561 1 67 . 1 1 9 9 GLY HA3 H 1 3.92 0.01 . 2 . . . . . . . . 5561 1 68 . 1 1 10 10 ASP N N 15 120.5 0.01 . 1 . . . . . . . . 5561 1 69 . 1 1 10 10 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 5561 1 70 . 1 1 10 10 ASP HA H 1 4.74 0.01 . 1 . . . . . . . . 5561 1 71 . 1 1 10 10 ASP HB2 H 1 2.59 0.01 . 2 . . . . . . . . 5561 1 72 . 1 1 10 10 ASP HB3 H 1 2.51 0.01 . 2 . . . . . . . . 5561 1 73 . 1 1 11 11 GLN N N 15 116.1 0.01 . 1 . . . . . . . . 5561 1 74 . 1 1 11 11 GLN H H 1 8.15 0.01 . 1 . . . . . . . . 5561 1 75 . 1 1 11 11 GLN HA H 1 4.91 0.01 . 1 . . . . . . . . 5561 1 76 . 1 1 11 11 GLN HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5561 1 77 . 1 1 11 11 GLN HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5561 1 78 . 1 1 11 11 GLN HG2 H 1 2.48 0.01 . 2 . . . . . . . . 5561 1 79 . 1 1 11 11 GLN HG3 H 1 2.39 0.01 . 2 . . . . . . . . 5561 1 80 . 1 1 11 11 GLN NE2 N 15 108.8 0.01 . 1 . . . . . . . . 5561 1 81 . 1 1 11 11 GLN HE21 H 1 6.70 0.01 . 2 . . . . . . . . 5561 1 82 . 1 1 11 11 GLN HE22 H 1 7.55 0.01 . 2 . . . . . . . . 5561 1 83 . 1 1 12 12 VAL N N 15 121.3 0.01 . 1 . . . . . . . . 5561 1 84 . 1 1 12 12 VAL H H 1 8.80 0.01 . 1 . . . . . . . . 5561 1 85 . 1 1 12 12 VAL HA H 1 4.79 0.01 . 1 . . . . . . . . 5561 1 86 . 1 1 12 12 VAL HB H 1 1.69 0.01 . 1 . . . . . . . . 5561 1 87 . 1 1 12 12 VAL HG11 H 1 0.35 0.01 . 1 . . . . . . . . 5561 1 88 . 1 1 12 12 VAL HG12 H 1 0.35 0.01 . 1 . . . . . . . . 5561 1 89 . 1 1 12 12 VAL HG13 H 1 0.35 0.01 . 1 . . . . . . . . 5561 1 90 . 1 1 12 12 VAL HG21 H 1 0.35 0.01 . 1 . . . . . . . . 5561 1 91 . 1 1 12 12 VAL HG22 H 1 0.35 0.01 . 1 . . . . . . . . 5561 1 92 . 1 1 12 12 VAL HG23 H 1 0.35 0.01 . 1 . . . . . . . . 5561 1 93 . 1 1 13 13 LEU N N 15 127.1 0.01 . 1 . . . . . . . . 5561 1 94 . 1 1 13 13 LEU H H 1 9.05 0.01 . 1 . . . . . . . . 5561 1 95 . 1 1 13 13 LEU HA H 1 5.11 0.01 . 1 . . . . . . . . 5561 1 96 . 1 1 13 13 LEU HB2 H 1 1.51 0.01 . 2 . . . . . . . . 5561 1 97 . 1 1 13 13 LEU HB3 H 1 1.32 0.01 . 2 . . . . . . . . 5561 1 98 . 1 1 13 13 LEU HG H 1 1.64 0.01 . 1 . . . . . . . . 5561 1 99 . 1 1 13 13 LEU HD11 H 1 0.65 0.01 . 2 . . . . . . . . 5561 1 100 . 1 1 13 13 LEU HD12 H 1 0.65 0.01 . 2 . . . . . . . . 5561 1 101 . 1 1 13 13 LEU HD13 H 1 0.65 0.01 . 2 . . . . . . . . 5561 1 102 . 1 1 13 13 LEU HD21 H 1 0.52 0.01 . 2 . . . . . . . . 5561 1 103 . 1 1 13 13 LEU HD22 H 1 0.52 0.01 . 2 . . . . . . . . 5561 1 104 . 1 1 13 13 LEU HD23 H 1 0.52 0.01 . 2 . . . . . . . . 5561 1 105 . 1 1 14 14 GLU N N 15 122.8 0.01 . 1 . . . . . . . . 5561 1 106 . 1 1 14 14 GLU H H 1 9.06 0.01 . 1 . . . . . . . . 5561 1 107 . 1 1 14 14 GLU HA H 1 5.25 0.01 . 1 . . . . . . . . 5561 1 108 . 1 1 14 14 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 5561 1 109 . 1 1 14 14 GLU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 5561 1 110 . 1 1 14 14 GLU HG2 H 1 2.07 0.01 . 1 . . . . . . . . 5561 1 111 . 1 1 14 14 GLU HG3 H 1 2.07 0.01 . 1 . . . . . . . . 5561 1 112 . 1 1 15 15 ILE N N 15 127.4 0.01 . 1 . . . . . . . . 5561 1 113 . 1 1 15 15 ILE H H 1 9.35 0.01 . 1 . . . . . . . . 5561 1 114 . 1 1 15 15 ILE HA H 1 4.84 0.01 . 1 . . . . . . . . 5561 1 115 . 1 1 15 15 ILE HB H 1 1.57 0.01 . 1 . . . . . . . . 5561 1 116 . 1 1 15 15 ILE HG21 H 1 1.01 0.01 . 1 . . . . . . . . 5561 1 117 . 1 1 15 15 ILE HG22 H 1 1.01 0.01 . 1 . . . . . . . . 5561 1 118 . 1 1 15 15 ILE HG23 H 1 1.01 0.01 . 1 . . . . . . . . 5561 1 119 . 1 1 15 15 ILE HG13 H 1 0.97 0.01 . 2 . . . . . . . . 5561 1 120 . 1 1 15 15 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 5561 1 121 . 1 1 15 15 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 5561 1 122 . 1 1 15 15 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 5561 1 123 . 1 1 16 16 VAL N N 15 125.5 0.01 . 1 . . . . . . . . 5561 1 124 . 1 1 16 16 VAL H H 1 8.57 0.01 . 1 . . . . . . . . 5561 1 125 . 1 1 16 16 VAL HA H 1 4.72 0.01 . 1 . . . . . . . . 5561 1 126 . 1 1 16 16 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 5561 1 127 . 1 1 16 16 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . 5561 1 128 . 1 1 16 16 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . 5561 1 129 . 1 1 16 16 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . 5561 1 130 . 1 1 16 16 VAL HG21 H 1 0.66 0.01 . 2 . . . . . . . . 5561 1 131 . 1 1 16 16 VAL HG22 H 1 0.66 0.01 . 2 . . . . . . . . 5561 1 132 . 1 1 16 16 VAL HG23 H 1 0.66 0.01 . 2 . . . . . . . . 5561 1 133 . 1 1 17 17 PRO HA H 1 4.83 0.01 . 1 . . . . . . . . 5561 1 134 . 1 1 17 17 PRO HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5561 1 135 . 1 1 17 17 PRO HB3 H 1 1.62 0.01 . 2 . . . . . . . . 5561 1 136 . 1 1 17 17 PRO HG2 H 1 2.32 0.01 . 2 . . . . . . . . 5561 1 137 . 1 1 17 17 PRO HG3 H 1 1.77 0.01 . 2 . . . . . . . . 5561 1 138 . 1 1 17 17 PRO HD2 H 1 4.39 0.01 . 2 . . . . . . . . 5561 1 139 . 1 1 17 17 PRO HD3 H 1 3.47 0.01 . 2 . . . . . . . . 5561 1 140 . 1 1 18 18 SER N N 15 117.5 0.01 . 1 . . . . . . . . 5561 1 141 . 1 1 18 18 SER H H 1 9.18 0.01 . 1 . . . . . . . . 5561 1 142 . 1 1 18 18 SER HA H 1 4.53 0.01 . 1 . . . . . . . . 5561 1 143 . 1 1 18 18 SER HB2 H 1 4.09 0.01 . 2 . . . . . . . . 5561 1 144 . 1 1 18 18 SER HB3 H 1 3.90 0.01 . 2 . . . . . . . . 5561 1 145 . 1 1 19 19 ASN N N 15 115.0 0.01 . 1 . . . . . . . . 5561 1 146 . 1 1 19 19 ASN H H 1 7.50 0.01 . 1 . . . . . . . . 5561 1 147 . 1 1 19 19 ASN HA H 1 4.68 0.01 . 1 . . . . . . . . 5561 1 148 . 1 1 19 19 ASN HB2 H 1 3.24 0.01 . 2 . . . . . . . . 5561 1 149 . 1 1 19 19 ASN HB3 H 1 3.15 0.01 . 2 . . . . . . . . 5561 1 150 . 1 1 19 19 ASN ND2 N 15 112.4 0.01 . 1 . . . . . . . . 5561 1 151 . 1 1 19 19 ASN HD21 H 1 7.03 0.01 . 2 . . . . . . . . 5561 1 152 . 1 1 19 19 ASN HD22 H 1 7.43 0.01 . 2 . . . . . . . . 5561 1 153 . 1 1 20 20 GLU N N 15 118.2 0.01 . 1 . . . . . . . . 5561 1 154 . 1 1 20 20 GLU H H 1 9.13 0.01 . 1 . . . . . . . . 5561 1 155 . 1 1 20 20 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 5561 1 156 . 1 1 20 20 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 5561 1 157 . 1 1 20 20 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 5561 1 158 . 1 1 20 20 GLU HG2 H 1 2.39 0.01 . 1 . . . . . . . . 5561 1 159 . 1 1 20 20 GLU HG3 H 1 2.39 0.01 . 1 . . . . . . . . 5561 1 160 . 1 1 21 21 GLU N N 15 123.4 0.01 . 1 . . . . . . . . 5561 1 161 . 1 1 21 21 GLU H H 1 8.44 0.01 . 1 . . . . . . . . 5561 1 162 . 1 1 21 21 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 5561 1 163 . 1 1 21 21 GLU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 5561 1 164 . 1 1 21 21 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5561 1 165 . 1 1 21 21 GLU HG2 H 1 2.38 0.01 . 2 . . . . . . . . 5561 1 166 . 1 1 21 21 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 5561 1 167 . 1 1 22 22 GLN N N 15 117.9 0.01 . 1 . . . . . . . . 5561 1 168 . 1 1 22 22 GLN H H 1 8.57 0.01 . 1 . . . . . . . . 5561 1 169 . 1 1 22 22 GLN HA H 1 4.22 0.01 . 1 . . . . . . . . 5561 1 170 . 1 1 22 22 GLN HB2 H 1 2.12 0.01 . 1 . . . . . . . . 5561 1 171 . 1 1 22 22 GLN HB3 H 1 2.12 0.01 . 1 . . . . . . . . 5561 1 172 . 1 1 22 22 GLN HG2 H 1 3.17 0.01 . 2 . . . . . . . . 5561 1 173 . 1 1 22 22 GLN HG3 H 1 2.44 0.01 . 2 . . . . . . . . 5561 1 174 . 1 1 22 22 GLN NE2 N 15 111.2 0.01 . 1 . . . . . . . . 5561 1 175 . 1 1 22 22 GLN HE21 H 1 6.53 0.01 . 2 . . . . . . . . 5561 1 176 . 1 1 22 22 GLN HE22 H 1 7.45 0.01 . 2 . . . . . . . . 5561 1 177 . 1 1 23 23 ILE N N 15 118.7 0.01 . 1 . . . . . . . . 5561 1 178 . 1 1 23 23 ILE H H 1 7.45 0.01 . 1 . . . . . . . . 5561 1 179 . 1 1 23 23 ILE HA H 1 3.50 0.01 . 1 . . . . . . . . 5561 1 180 . 1 1 23 23 ILE HB H 1 2.12 0.01 . 1 . . . . . . . . 5561 1 181 . 1 1 23 23 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5561 1 182 . 1 1 23 23 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5561 1 183 . 1 1 23 23 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5561 1 184 . 1 1 23 23 ILE HG12 H 1 1.72 0.01 . 2 . . . . . . . . 5561 1 185 . 1 1 23 23 ILE HG13 H 1 0.95 0.01 . 2 . . . . . . . . 5561 1 186 . 1 1 23 23 ILE HD11 H 1 0.54 0.01 . 1 . . . . . . . . 5561 1 187 . 1 1 23 23 ILE HD12 H 1 0.54 0.01 . 1 . . . . . . . . 5561 1 188 . 1 1 23 23 ILE HD13 H 1 0.54 0.01 . 1 . . . . . . . . 5561 1 189 . 1 1 24 24 LYS N N 15 119.7 0.01 . 1 . . . . . . . . 5561 1 190 . 1 1 24 24 LYS H H 1 8.05 0.01 . 1 . . . . . . . . 5561 1 191 . 1 1 24 24 LYS HA H 1 3.96 0.01 . 1 . . . . . . . . 5561 1 192 . 1 1 24 24 LYS HB2 H 1 2.01 0.01 . 2 . . . . . . . . 5561 1 193 . 1 1 24 24 LYS HB3 H 1 1.64 0.01 . 2 . . . . . . . . 5561 1 194 . 1 1 24 24 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 5561 1 195 . 1 1 24 24 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 5561 1 196 . 1 1 24 24 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5561 1 197 . 1 1 24 24 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 5561 1 198 . 1 1 24 24 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 5561 1 199 . 1 1 24 24 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 5561 1 200 . 1 1 25 25 ASN N N 15 117.5 0.01 . 1 . . . . . . . . 5561 1 201 . 1 1 25 25 ASN H H 1 8.38 0.01 . 1 . . . . . . . . 5561 1 202 . 1 1 25 25 ASN HA H 1 4.71 0.01 . 1 . . . . . . . . 5561 1 203 . 1 1 25 25 ASN HB2 H 1 3.02 0.01 . 2 . . . . . . . . 5561 1 204 . 1 1 25 25 ASN HB3 H 1 2.71 0.01 . 2 . . . . . . . . 5561 1 205 . 1 1 25 25 ASN ND2 N 15 110.9 0.01 . 1 . . . . . . . . 5561 1 206 . 1 1 25 25 ASN HD21 H 1 7.09 0.01 . 2 . . . . . . . . 5561 1 207 . 1 1 25 25 ASN HD22 H 1 7.58 0.01 . 2 . . . . . . . . 5561 1 208 . 1 1 26 26 LEU N N 15 120.9 0.01 . 1 . . . . . . . . 5561 1 209 . 1 1 26 26 LEU H H 1 8.27 0.01 . 1 . . . . . . . . 5561 1 210 . 1 1 26 26 LEU HA H 1 4.21 0.01 . 1 . . . . . . . . 5561 1 211 . 1 1 26 26 LEU HB2 H 1 2.11 0.01 . 2 . . . . . . . . 5561 1 212 . 1 1 26 26 LEU HB3 H 1 1.57 0.01 . 2 . . . . . . . . 5561 1 213 . 1 1 26 26 LEU HG H 1 2.10 0.01 . 1 . . . . . . . . 5561 1 214 . 1 1 26 26 LEU HD11 H 1 0.97 0.01 . 2 . . . . . . . . 5561 1 215 . 1 1 26 26 LEU HD12 H 1 0.97 0.01 . 2 . . . . . . . . 5561 1 216 . 1 1 26 26 LEU HD13 H 1 0.97 0.01 . 2 . . . . . . . . 5561 1 217 . 1 1 26 26 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . 5561 1 218 . 1 1 26 26 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . 5561 1 219 . 1 1 26 26 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . 5561 1 220 . 1 1 27 27 LEU N N 15 119.5 0.01 . 1 . . . . . . . . 5561 1 221 . 1 1 27 27 LEU H H 1 8.34 0.01 . 1 . . . . . . . . 5561 1 222 . 1 1 27 27 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 5561 1 223 . 1 1 27 27 LEU HB2 H 1 1.50 0.01 . 2 . . . . . . . . 5561 1 224 . 1 1 27 27 LEU HB3 H 1 1.96 0.01 . 2 . . . . . . . . 5561 1 225 . 1 1 27 27 LEU HG H 1 1.79 0.01 . 1 . . . . . . . . 5561 1 226 . 1 1 27 27 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 5561 1 227 . 1 1 27 27 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 5561 1 228 . 1 1 27 27 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 5561 1 229 . 1 1 27 27 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 5561 1 230 . 1 1 27 27 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 5561 1 231 . 1 1 27 27 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 5561 1 232 . 1 1 28 28 GLN N N 15 119.4 0.01 . 1 . . . . . . . . 5561 1 233 . 1 1 28 28 GLN H H 1 7.93 0.01 . 1 . . . . . . . . 5561 1 234 . 1 1 28 28 GLN HA H 1 4.16 0.01 . 1 . . . . . . . . 5561 1 235 . 1 1 28 28 GLN HB2 H 1 2.35 0.01 . 2 . . . . . . . . 5561 1 236 . 1 1 28 28 GLN HB3 H 1 2.23 0.01 . 2 . . . . . . . . 5561 1 237 . 1 1 28 28 GLN HG2 H 1 2.59 0.01 . 2 . . . . . . . . 5561 1 238 . 1 1 28 28 GLN HG3 H 1 2.43 0.01 . 2 . . . . . . . . 5561 1 239 . 1 1 28 28 GLN NE2 N 15 111.2 0.01 . 1 . . . . . . . . 5561 1 240 . 1 1 28 28 GLN HE21 H 1 7.46 0.01 . 2 . . . . . . . . 5561 1 241 . 1 1 28 28 GLN HE22 H 1 6.89 0.01 . 2 . . . . . . . . 5561 1 242 . 1 1 29 29 LEU N N 15 121.4 0.01 . 1 . . . . . . . . 5561 1 243 . 1 1 29 29 LEU H H 1 7.66 0.01 . 1 . . . . . . . . 5561 1 244 . 1 1 29 29 LEU HA H 1 3.84 0.01 . 1 . . . . . . . . 5561 1 245 . 1 1 29 29 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5561 1 246 . 1 1 29 29 LEU HB3 H 1 1.48 0.01 . 2 . . . . . . . . 5561 1 247 . 1 1 29 29 LEU HG H 1 1.44 0.01 . 1 . . . . . . . . 5561 1 248 . 1 1 29 29 LEU HD11 H 1 0.47 0.01 . 2 . . . . . . . . 5561 1 249 . 1 1 29 29 LEU HD12 H 1 0.47 0.01 . 2 . . . . . . . . 5561 1 250 . 1 1 29 29 LEU HD13 H 1 0.47 0.01 . 2 . . . . . . . . 5561 1 251 . 1 1 29 29 LEU HD21 H 1 0.36 0.01 . 2 . . . . . . . . 5561 1 252 . 1 1 29 29 LEU HD22 H 1 0.36 0.01 . 2 . . . . . . . . 5561 1 253 . 1 1 29 29 LEU HD23 H 1 0.36 0.01 . 2 . . . . . . . . 5561 1 254 . 1 1 30 30 GLU N N 15 117.5 0.01 . 1 . . . . . . . . 5561 1 255 . 1 1 30 30 GLU H H 1 7.94 0.01 . 1 . . . . . . . . 5561 1 256 . 1 1 30 30 GLU HA H 1 3.77 0.01 . 1 . . . . . . . . 5561 1 257 . 1 1 30 30 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5561 1 258 . 1 1 30 30 GLU HB3 H 1 1.56 0.01 . 2 . . . . . . . . 5561 1 259 . 1 1 30 30 GLU HG2 H 1 2.11 0.01 . 1 . . . . . . . . 5561 1 260 . 1 1 30 30 GLU HG3 H 1 2.11 0.01 . 1 . . . . . . . . 5561 1 261 . 1 1 31 31 ALA N N 15 117.7 0.01 . 1 . . . . . . . . 5561 1 262 . 1 1 31 31 ALA H H 1 7.30 0.01 . 1 . . . . . . . . 5561 1 263 . 1 1 31 31 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 5561 1 264 . 1 1 31 31 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 5561 1 265 . 1 1 31 31 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 5561 1 266 . 1 1 31 31 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 5561 1 267 . 1 1 32 32 GLN N N 15 118.0 0.01 . 1 . . . . . . . . 5561 1 268 . 1 1 32 32 GLN H H 1 7.59 0.01 . 1 . . . . . . . . 5561 1 269 . 1 1 32 32 GLN HA H 1 4.43 0.01 . 1 . . . . . . . . 5561 1 270 . 1 1 32 32 GLN HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5561 1 271 . 1 1 32 32 GLN HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5561 1 272 . 1 1 32 32 GLN HG2 H 1 2.53 0.01 . 2 . . . . . . . . 5561 1 273 . 1 1 32 32 GLN HG3 H 1 2.47 0.01 . 2 . . . . . . . . 5561 1 274 . 1 1 32 32 GLN NE2 N 15 111.5 0.01 . 1 . . . . . . . . 5561 1 275 . 1 1 32 32 GLN HE21 H 1 6.76 0.01 . 2 . . . . . . . . 5561 1 276 . 1 1 32 32 GLN HE22 H 1 7.27 0.01 . 2 . . . . . . . . 5561 1 277 . 1 1 33 33 GLU N N 15 124.8 0.01 . 1 . . . . . . . . 5561 1 278 . 1 1 33 33 GLU H H 1 8.50 0.01 . 1 . . . . . . . . 5561 1 279 . 1 1 33 33 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 5561 1 280 . 1 1 33 33 GLU HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5561 1 281 . 1 1 33 33 GLU HB3 H 1 2.06 0.01 . 2 . . . . . . . . 5561 1 282 . 1 1 33 33 GLU HG2 H 1 2.35 0.01 . 2 . . . . . . . . 5561 1 283 . 1 1 33 33 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5561 1 284 . 1 1 34 34 HIS HA H 1 4.50 0.01 . 1 . . . . . . . . 5561 1 285 . 1 1 34 34 HIS HB2 H 1 3.25 0.01 . 2 . . . . . . . . 5561 1 286 . 1 1 34 34 HIS HB3 H 1 3.10 0.01 . 2 . . . . . . . . 5561 1 287 . 1 1 34 34 HIS HD2 H 1 7.00 0.01 . 1 . . . . . . . . 5561 1 288 . 1 1 34 34 HIS HE1 H 1 7.95 0.01 . 1 . . . . . . . . 5561 1 289 . 1 1 35 35 LEU N N 15 119.0 0.01 . 1 . . . . . . . . 5561 1 290 . 1 1 35 35 LEU H H 1 7.20 0.01 . 1 . . . . . . . . 5561 1 291 . 1 1 35 35 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 5561 1 292 . 1 1 35 35 LEU HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5561 1 293 . 1 1 35 35 LEU HB3 H 1 1.11 0.01 . 2 . . . . . . . . 5561 1 294 . 1 1 35 35 LEU HG H 1 0.86 0.01 . 1 . . . . . . . . 5561 1 295 . 1 1 35 35 LEU HD11 H 1 0.68 0.01 . 2 . . . . . . . . 5561 1 296 . 1 1 35 35 LEU HD12 H 1 0.68 0.01 . 2 . . . . . . . . 5561 1 297 . 1 1 35 35 LEU HD13 H 1 0.68 0.01 . 2 . . . . . . . . 5561 1 298 . 1 1 35 35 LEU HD21 H 1 0.58 0.01 . 2 . . . . . . . . 5561 1 299 . 1 1 35 35 LEU HD22 H 1 0.58 0.01 . 2 . . . . . . . . 5561 1 300 . 1 1 35 35 LEU HD23 H 1 0.58 0.01 . 2 . . . . . . . . 5561 1 301 . 1 1 36 36 GLN N N 15 113.5 0.01 . 1 . . . . . . . . 5561 1 302 . 1 1 36 36 GLN H H 1 7.72 0.01 . 1 . . . . . . . . 5561 1 303 . 1 1 36 36 GLN HA H 1 3.96 0.01 . 1 . . . . . . . . 5561 1 304 . 1 1 36 36 GLN HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5561 1 305 . 1 1 36 36 GLN HB3 H 1 2.06 0.01 . 2 . . . . . . . . 5561 1 306 . 1 1 36 36 GLN HG2 H 1 2.26 0.01 . 2 . . . . . . . . 5561 1 307 . 1 1 36 36 GLN HG3 H 1 2.30 0.01 . 2 . . . . . . . . 5561 1 308 . 1 1 36 36 GLN NE2 N 15 112.2 0.01 . 1 . . . . . . . . 5561 1 309 . 1 1 36 36 GLN HE21 H 1 7.54 0.01 . 2 . . . . . . . . 5561 1 310 . 1 1 36 36 GLN HE22 H 1 6.82 0.01 . 2 . . . . . . . . 5561 1 311 . 1 1 37 37 LEU N N 15 115.7 0.01 . 1 . . . . . . . . 5561 1 312 . 1 1 37 37 LEU H H 1 8.11 0.01 . 1 . . . . . . . . 5561 1 313 . 1 1 37 37 LEU HA H 1 4.29 0.01 . 1 . . . . . . . . 5561 1 314 . 1 1 37 37 LEU HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5561 1 315 . 1 1 37 37 LEU HB3 H 1 1.02 0.01 . 2 . . . . . . . . 5561 1 316 . 1 1 37 37 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 5561 1 317 . 1 1 37 37 LEU HD11 H 1 0.71 0.01 . 1 . . . . . . . . 5561 1 318 . 1 1 37 37 LEU HD12 H 1 0.71 0.01 . 1 . . . . . . . . 5561 1 319 . 1 1 37 37 LEU HD13 H 1 0.71 0.01 . 1 . . . . . . . . 5561 1 320 . 1 1 37 37 LEU HD21 H 1 0.71 0.01 . 1 . . . . . . . . 5561 1 321 . 1 1 37 37 LEU HD22 H 1 0.71 0.01 . 1 . . . . . . . . 5561 1 322 . 1 1 37 37 LEU HD23 H 1 0.71 0.01 . 1 . . . . . . . . 5561 1 323 . 1 1 38 38 ASP N N 15 120.0 0.01 . 1 . . . . . . . . 5561 1 324 . 1 1 38 38 ASP H H 1 7.97 0.01 . 1 . . . . . . . . 5561 1 325 . 1 1 38 38 ASP HA H 1 5.10 0.01 . 1 . . . . . . . . 5561 1 326 . 1 1 38 38 ASP HB2 H 1 2.91 0.01 . 2 . . . . . . . . 5561 1 327 . 1 1 38 38 ASP HB3 H 1 2.63 0.01 . 2 . . . . . . . . 5561 1 328 . 1 1 39 39 PHE N N 15 125.4 0.01 . 1 . . . . . . . . 5561 1 329 . 1 1 39 39 PHE H H 1 9.51 0.01 . 1 . . . . . . . . 5561 1 330 . 1 1 39 39 PHE HA H 1 4.82 0.01 . 1 . . . . . . . . 5561 1 331 . 1 1 39 39 PHE HB2 H 1 3.27 0.01 . 2 . . . . . . . . 5561 1 332 . 1 1 39 39 PHE HB3 H 1 2.74 0.01 . 2 . . . . . . . . 5561 1 333 . 1 1 39 39 PHE HD1 H 1 7.38 0.01 . 1 . . . . . . . . 5561 1 334 . 1 1 39 39 PHE HD2 H 1 7.38 0.01 . 1 . . . . . . . . 5561 1 335 . 1 1 39 39 PHE HE1 H 1 6.99 0.01 . 1 . . . . . . . . 5561 1 336 . 1 1 39 39 PHE HE2 H 1 6.99 0.01 . 1 . . . . . . . . 5561 1 337 . 1 1 40 40 TRP N N 15 130.2 0.01 . 1 . . . . . . . . 5561 1 338 . 1 1 40 40 TRP H H 1 8.12 0.01 . 1 . . . . . . . . 5561 1 339 . 1 1 40 40 TRP HA H 1 4.78 0.01 . 1 . . . . . . . . 5561 1 340 . 1 1 40 40 TRP HB2 H 1 3.43 0.01 . 2 . . . . . . . . 5561 1 341 . 1 1 40 40 TRP HB3 H 1 3.13 0.01 . 2 . . . . . . . . 5561 1 342 . 1 1 40 40 TRP NE1 N 15 127.9 0.01 . 1 . . . . . . . . 5561 1 343 . 1 1 40 40 TRP HD1 H 1 7.03 0.01 . 1 . . . . . . . . 5561 1 344 . 1 1 40 40 TRP HE3 H 1 7.48 0.01 . 1 . . . . . . . . 5561 1 345 . 1 1 40 40 TRP HE1 H 1 9.97 0.01 . 1 . . . . . . . . 5561 1 346 . 1 1 40 40 TRP HZ3 H 1 6.97 0.01 . 1 . . . . . . . . 5561 1 347 . 1 1 40 40 TRP HZ2 H 1 7.35 0.01 . 1 . . . . . . . . 5561 1 348 . 1 1 40 40 TRP HH2 H 1 7.11 0.01 . 1 . . . . . . . . 5561 1 349 . 1 1 41 41 LYS N N 15 118.6 0.01 . 1 . . . . . . . . 5561 1 350 . 1 1 41 41 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 5561 1 351 . 1 1 41 41 LYS HA H 1 4.68 0.01 . 1 . . . . . . . . 5561 1 352 . 1 1 41 41 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5561 1 353 . 1 1 41 41 LYS HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5561 1 354 . 1 1 41 41 LYS HG2 H 1 1.26 0.01 . 1 . . . . . . . . 5561 1 355 . 1 1 41 41 LYS HG3 H 1 1.26 0.01 . 1 . . . . . . . . 5561 1 356 . 1 1 41 41 LYS HD2 H 1 1.47 0.01 . 2 . . . . . . . . 5561 1 357 . 1 1 41 41 LYS HD3 H 1 1.05 0.01 . 2 . . . . . . . . 5561 1 358 . 1 1 41 41 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 5561 1 359 . 1 1 41 41 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 5561 1 360 . 1 1 42 42 SER N N 15 123.6 0.01 . 1 . . . . . . . . 5561 1 361 . 1 1 42 42 SER H H 1 9.01 0.01 . 1 . . . . . . . . 5561 1 362 . 1 1 42 42 SER HA H 1 4.50 0.01 . 1 . . . . . . . . 5561 1 363 . 1 1 42 42 SER HB2 H 1 3.86 0.01 . 2 . . . . . . . . 5561 1 364 . 1 1 42 42 SER HB3 H 1 3.69 0.01 . 2 . . . . . . . . 5561 1 365 . 1 1 43 43 PRO HA H 1 4.41 0.01 . 1 . . . . . . . . 5561 1 366 . 1 1 43 43 PRO HB2 H 1 1.96 0.01 . 1 . . . . . . . . 5561 1 367 . 1 1 43 43 PRO HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5561 1 368 . 1 1 43 43 PRO HG2 H 1 1.89 0.01 . 2 . . . . . . . . 5561 1 369 . 1 1 43 43 PRO HG3 H 1 1.57 0.01 . 2 . . . . . . . . 5561 1 370 . 1 1 43 43 PRO HD2 H 1 3.25 0.01 . 2 . . . . . . . . 5561 1 371 . 1 1 43 43 PRO HD3 H 1 3.51 0.01 . 2 . . . . . . . . 5561 1 372 . 1 1 44 44 THR N N 15 113.1 0.01 . 1 . . . . . . . . 5561 1 373 . 1 1 44 44 THR H H 1 9.12 0.01 . 1 . . . . . . . . 5561 1 374 . 1 1 44 44 THR HA H 1 4.41 0.01 . 1 . . . . . . . . 5561 1 375 . 1 1 44 44 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 5561 1 376 . 1 1 44 44 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 5561 1 377 . 1 1 44 44 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 5561 1 378 . 1 1 44 44 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 5561 1 379 . 1 1 45 45 THR N N 15 113.6 0.01 . 1 . . . . . . . . 5561 1 380 . 1 1 45 45 THR H H 1 8.31 0.01 . 1 . . . . . . . . 5561 1 381 . 1 1 45 45 THR HA H 1 4.83 0.01 . 1 . . . . . . . . 5561 1 382 . 1 1 45 45 THR HB H 1 4.24 0.01 . 1 . . . . . . . . 5561 1 383 . 1 1 45 45 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 5561 1 384 . 1 1 45 45 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 5561 1 385 . 1 1 45 45 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 5561 1 386 . 1 1 46 46 PRO HA H 1 3.85 0.01 . 1 . . . . . . . . 5561 1 387 . 1 1 46 46 PRO HB2 H 1 2.25 0.01 . 2 . . . . . . . . 5561 1 388 . 1 1 46 46 PRO HB3 H 1 1.91 0.01 . 2 . . . . . . . . 5561 1 389 . 1 1 46 46 PRO HG2 H 1 1.36 0.01 . 1 . . . . . . . . 5561 1 390 . 1 1 46 46 PRO HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5561 1 391 . 1 1 46 46 PRO HD2 H 1 3.72 0.01 . 1 . . . . . . . . 5561 1 392 . 1 1 46 46 PRO HD3 H 1 3.72 0.01 . 1 . . . . . . . . 5561 1 393 . 1 1 47 47 GLY N N 15 111.5 0.01 . 1 . . . . . . . . 5561 1 394 . 1 1 47 47 GLY H H 1 8.95 0.01 . 1 . . . . . . . . 5561 1 395 . 1 1 47 47 GLY HA2 H 1 4.29 0.01 . 2 . . . . . . . . 5561 1 396 . 1 1 47 47 GLY HA3 H 1 3.46 0.01 . 2 . . . . . . . . 5561 1 397 . 1 1 48 48 GLU N N 15 119.7 0.01 . 1 . . . . . . . . 5561 1 398 . 1 1 48 48 GLU H H 1 7.48 0.01 . 1 . . . . . . . . 5561 1 399 . 1 1 48 48 GLU HA H 1 4.60 0.01 . 1 . . . . . . . . 5561 1 400 . 1 1 48 48 GLU HB2 H 1 2.05 0.01 . 1 . . . . . . . . 5561 1 401 . 1 1 48 48 GLU HB3 H 1 2.05 0.01 . 1 . . . . . . . . 5561 1 402 . 1 1 48 48 GLU HG2 H 1 2.34 0.01 . 2 . . . . . . . . 5561 1 403 . 1 1 48 48 GLU HG3 H 1 2.18 0.01 . 2 . . . . . . . . 5561 1 404 . 1 1 49 49 THR N N 15 114.2 0.01 . 1 . . . . . . . . 5561 1 405 . 1 1 49 49 THR H H 1 8.51 0.01 . 1 . . . . . . . . 5561 1 406 . 1 1 49 49 THR HA H 1 4.50 0.01 . 1 . . . . . . . . 5561 1 407 . 1 1 49 49 THR HB H 1 4.07 0.01 . 1 . . . . . . . . 5561 1 408 . 1 1 49 49 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 5561 1 409 . 1 1 49 49 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 5561 1 410 . 1 1 49 49 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 5561 1 411 . 1 1 50 50 ALA N N 15 123.6 0.01 . 1 . . . . . . . . 5561 1 412 . 1 1 50 50 ALA H H 1 9.23 0.01 . 1 . . . . . . . . 5561 1 413 . 1 1 50 50 ALA HA H 1 4.58 0.01 . 1 . . . . . . . . 5561 1 414 . 1 1 50 50 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 5561 1 415 . 1 1 50 50 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 5561 1 416 . 1 1 50 50 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 5561 1 417 . 1 1 51 51 HIS N N 15 120.4 0.01 . 1 . . . . . . . . 5561 1 418 . 1 1 51 51 HIS H H 1 9.05 0.01 . 1 . . . . . . . . 5561 1 419 . 1 1 51 51 HIS HA H 1 5.92 0.01 . 1 . . . . . . . . 5561 1 420 . 1 1 51 51 HIS HB2 H 1 3.10 0.01 . 2 . . . . . . . . 5561 1 421 . 1 1 51 51 HIS HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5561 1 422 . 1 1 51 51 HIS HD2 H 1 6.94 0.01 . 1 . . . . . . . . 5561 1 423 . 1 1 51 51 HIS HE1 H 1 7.78 0.01 . 1 . . . . . . . . 5561 1 424 . 1 1 52 52 VAL N N 15 121.8 0.01 . 1 . . . . . . . . 5561 1 425 . 1 1 52 52 VAL H H 1 8.84 0.01 . 1 . . . . . . . . 5561 1 426 . 1 1 52 52 VAL HA H 1 4.59 0.01 . 1 . . . . . . . . 5561 1 427 . 1 1 52 52 VAL HB H 1 1.15 0.01 . 1 . . . . . . . . 5561 1 428 . 1 1 52 52 VAL HG11 H 1 0.49 0.01 . 2 . . . . . . . . 5561 1 429 . 1 1 52 52 VAL HG12 H 1 0.49 0.01 . 2 . . . . . . . . 5561 1 430 . 1 1 52 52 VAL HG13 H 1 0.49 0.01 . 2 . . . . . . . . 5561 1 431 . 1 1 52 52 VAL HG21 H 1 0.04 0.01 . 2 . . . . . . . . 5561 1 432 . 1 1 52 52 VAL HG22 H 1 0.04 0.01 . 2 . . . . . . . . 5561 1 433 . 1 1 52 52 VAL HG23 H 1 0.04 0.01 . 2 . . . . . . . . 5561 1 434 . 1 1 53 53 ARG N N 15 129.7 0.01 . 1 . . . . . . . . 5561 1 435 . 1 1 53 53 ARG H H 1 8.80 0.01 . 1 . . . . . . . . 5561 1 436 . 1 1 53 53 ARG HA H 1 4.58 0.01 . 1 . . . . . . . . 5561 1 437 . 1 1 53 53 ARG HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5561 1 438 . 1 1 53 53 ARG HB3 H 1 1.26 0.01 . 2 . . . . . . . . 5561 1 439 . 1 1 53 53 ARG HG2 H 1 1.32 0.01 . 2 . . . . . . . . 5561 1 440 . 1 1 53 53 ARG HG3 H 1 0.91 0.01 . 2 . . . . . . . . 5561 1 441 . 1 1 53 53 ARG HD2 H 1 3.33 0.01 . 1 . . . . . . . . 5561 1 442 . 1 1 53 53 ARG HD3 H 1 3.33 0.01 . 1 . . . . . . . . 5561 1 443 . 1 1 53 53 ARG NE N 15 85.0 0.01 . 1 . . . . . . . . 5561 1 444 . 1 1 53 53 ARG HE H 1 8.12 0.01 . 1 . . . . . . . . 5561 1 445 . 1 1 54 54 VAL N N 15 128.9 0.01 . 1 . . . . . . . . 5561 1 446 . 1 1 54 54 VAL H H 1 9.28 0.01 . 1 . . . . . . . . 5561 1 447 . 1 1 54 54 VAL HA H 1 4.54 0.01 . 1 . . . . . . . . 5561 1 448 . 1 1 54 54 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 5561 1 449 . 1 1 54 54 VAL HG11 H 1 0.85 0.01 . 2 . . . . . . . . 5561 1 450 . 1 1 54 54 VAL HG12 H 1 0.85 0.01 . 2 . . . . . . . . 5561 1 451 . 1 1 54 54 VAL HG13 H 1 0.85 0.01 . 2 . . . . . . . . 5561 1 452 . 1 1 54 54 VAL HG21 H 1 0.79 0.01 . 2 . . . . . . . . 5561 1 453 . 1 1 54 54 VAL HG22 H 1 0.79 0.01 . 2 . . . . . . . . 5561 1 454 . 1 1 54 54 VAL HG23 H 1 0.79 0.01 . 2 . . . . . . . . 5561 1 455 . 1 1 55 55 PRO HA H 1 4.69 0.01 . 1 . . . . . . . . 5561 1 456 . 1 1 55 55 PRO HB2 H 1 2.50 0.01 . 2 . . . . . . . . 5561 1 457 . 1 1 55 55 PRO HB3 H 1 1.81 0.01 . 2 . . . . . . . . 5561 1 458 . 1 1 55 55 PRO HG2 H 1 2.19 0.01 . 2 . . . . . . . . 5561 1 459 . 1 1 55 55 PRO HG3 H 1 2.07 0.01 . 2 . . . . . . . . 5561 1 460 . 1 1 55 55 PRO HD2 H 1 3.96 0.01 . 2 . . . . . . . . 5561 1 461 . 1 1 55 55 PRO HD3 H 1 3.59 0.01 . 2 . . . . . . . . 5561 1 462 . 1 1 56 56 PHE N N 15 125.0 0.01 . 1 . . . . . . . . 5561 1 463 . 1 1 56 56 PHE H H 1 9.14 0.01 . 1 . . . . . . . . 5561 1 464 . 1 1 56 56 PHE HA H 1 4.24 0.01 . 1 . . . . . . . . 5561 1 465 . 1 1 56 56 PHE HB2 H 1 3.41 0.01 . 2 . . . . . . . . 5561 1 466 . 1 1 56 56 PHE HB3 H 1 2.97 0.01 . 2 . . . . . . . . 5561 1 467 . 1 1 56 56 PHE HD1 H 1 7.30 0.01 . 1 . . . . . . . . 5561 1 468 . 1 1 56 56 PHE HD2 H 1 7.30 0.01 . 1 . . . . . . . . 5561 1 469 . 1 1 56 56 PHE HE1 H 1 7.37 0.01 . 1 . . . . . . . . 5561 1 470 . 1 1 56 56 PHE HE2 H 1 7.37 0.01 . 1 . . . . . . . . 5561 1 471 . 1 1 56 56 PHE HZ H 1 7.33 0.01 . 1 . . . . . . . . 5561 1 472 . 1 1 57 57 VAL N N 15 112.4 0.01 . 1 . . . . . . . . 5561 1 473 . 1 1 57 57 VAL H H 1 8.22 0.01 . 1 . . . . . . . . 5561 1 474 . 1 1 57 57 VAL HA H 1 3.79 0.01 . 1 . . . . . . . . 5561 1 475 . 1 1 57 57 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 5561 1 476 . 1 1 57 57 VAL HG11 H 1 1.01 0.01 . 2 . . . . . . . . 5561 1 477 . 1 1 57 57 VAL HG12 H 1 1.01 0.01 . 2 . . . . . . . . 5561 1 478 . 1 1 57 57 VAL HG13 H 1 1.01 0.01 . 2 . . . . . . . . 5561 1 479 . 1 1 57 57 VAL HG21 H 1 0.95 0.01 . 2 . . . . . . . . 5561 1 480 . 1 1 57 57 VAL HG22 H 1 0.95 0.01 . 2 . . . . . . . . 5561 1 481 . 1 1 57 57 VAL HG23 H 1 0.95 0.01 . 2 . . . . . . . . 5561 1 482 . 1 1 58 58 ASN N N 15 115.6 0.01 . 1 . . . . . . . . 5561 1 483 . 1 1 58 58 ASN H H 1 8.08 0.01 . 1 . . . . . . . . 5561 1 484 . 1 1 58 58 ASN HA H 1 5.24 0.01 . 1 . . . . . . . . 5561 1 485 . 1 1 58 58 ASN HB2 H 1 2.94 0.01 . 2 . . . . . . . . 5561 1 486 . 1 1 58 58 ASN HB3 H 1 2.32 0.01 . 2 . . . . . . . . 5561 1 487 . 1 1 58 58 ASN ND2 N 15 113.5 0.01 . 1 . . . . . . . . 5561 1 488 . 1 1 58 58 ASN HD21 H 1 7.20 0.01 . 2 . . . . . . . . 5561 1 489 . 1 1 58 58 ASN HD22 H 1 7.07 0.01 . 2 . . . . . . . . 5561 1 490 . 1 1 59 59 VAL N N 15 121.8 0.01 . 1 . . . . . . . . 5561 1 491 . 1 1 59 59 VAL H H 1 7.46 0.01 . 1 . . . . . . . . 5561 1 492 . 1 1 59 59 VAL HA H 1 3.35 0.01 . 1 . . . . . . . . 5561 1 493 . 1 1 59 59 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 5561 1 494 . 1 1 59 59 VAL HG11 H 1 1.02 0.01 . 2 . . . . . . . . 5561 1 495 . 1 1 59 59 VAL HG12 H 1 1.02 0.01 . 2 . . . . . . . . 5561 1 496 . 1 1 59 59 VAL HG13 H 1 1.02 0.01 . 2 . . . . . . . . 5561 1 497 . 1 1 59 59 VAL HG21 H 1 0.81 0.01 . 2 . . . . . . . . 5561 1 498 . 1 1 59 59 VAL HG22 H 1 0.81 0.01 . 2 . . . . . . . . 5561 1 499 . 1 1 59 59 VAL HG23 H 1 0.81 0.01 . 2 . . . . . . . . 5561 1 500 . 1 1 60 60 GLN N N 15 119.3 0.01 . 1 . . . . . . . . 5561 1 501 . 1 1 60 60 GLN H H 1 8.49 0.01 . 1 . . . . . . . . 5561 1 502 . 1 1 60 60 GLN HA H 1 3.96 0.01 . 1 . . . . . . . . 5561 1 503 . 1 1 60 60 GLN HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5561 1 504 . 1 1 60 60 GLN HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5561 1 505 . 1 1 60 60 GLN HG2 H 1 2.39 0.01 . 1 . . . . . . . . 5561 1 506 . 1 1 60 60 GLN HG3 H 1 2.39 0.01 . 1 . . . . . . . . 5561 1 507 . 1 1 60 60 GLN NE2 N 15 111.8 0.01 . 1 . . . . . . . . 5561 1 508 . 1 1 60 60 GLN HE21 H 1 6.94 0.01 . 2 . . . . . . . . 5561 1 509 . 1 1 60 60 GLN HE22 H 1 7.38 0.01 . 2 . . . . . . . . 5561 1 510 . 1 1 61 61 ALA N N 15 120.6 0.01 . 1 . . . . . . . . 5561 1 511 . 1 1 61 61 ALA H H 1 8.08 0.01 . 1 . . . . . . . . 5561 1 512 . 1 1 61 61 ALA HA H 1 4.05 0.01 . 1 . . . . . . . . 5561 1 513 . 1 1 61 61 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 5561 1 514 . 1 1 61 61 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 5561 1 515 . 1 1 61 61 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5561 1 516 . 1 1 62 62 VAL N N 15 118.6 0.01 . 1 . . . . . . . . 5561 1 517 . 1 1 62 62 VAL H H 1 7.88 0.01 . 1 . . . . . . . . 5561 1 518 . 1 1 62 62 VAL HA H 1 3.51 0.01 . 1 . . . . . . . . 5561 1 519 . 1 1 62 62 VAL HB H 1 2.01 0.01 . 1 . . . . . . . . 5561 1 520 . 1 1 62 62 VAL HG11 H 1 0.96 0.01 . 2 . . . . . . . . 5561 1 521 . 1 1 62 62 VAL HG12 H 1 0.96 0.01 . 2 . . . . . . . . 5561 1 522 . 1 1 62 62 VAL HG13 H 1 0.96 0.01 . 2 . . . . . . . . 5561 1 523 . 1 1 62 62 VAL HG21 H 1 0.66 0.01 . 2 . . . . . . . . 5561 1 524 . 1 1 62 62 VAL HG22 H 1 0.66 0.01 . 2 . . . . . . . . 5561 1 525 . 1 1 62 62 VAL HG23 H 1 0.66 0.01 . 2 . . . . . . . . 5561 1 526 . 1 1 63 63 LYS N N 15 120.5 0.01 . 1 . . . . . . . . 5561 1 527 . 1 1 63 63 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 5561 1 528 . 1 1 63 63 LYS HA H 1 3.42 0.01 . 1 . . . . . . . . 5561 1 529 . 1 1 63 63 LYS HB2 H 1 1.87 0.01 . 1 . . . . . . . . 5561 1 530 . 1 1 63 63 LYS HB3 H 1 1.87 0.01 . 1 . . . . . . . . 5561 1 531 . 1 1 63 63 LYS HG2 H 1 1.56 0.01 . 2 . . . . . . . . 5561 1 532 . 1 1 63 63 LYS HG3 H 1 0.97 0.01 . 2 . . . . . . . . 5561 1 533 . 1 1 63 63 LYS HD2 H 1 1.74 0.01 . 2 . . . . . . . . 5561 1 534 . 1 1 63 63 LYS HD3 H 1 1.67 0.01 . 2 . . . . . . . . 5561 1 535 . 1 1 63 63 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 5561 1 536 . 1 1 63 63 LYS HE3 H 1 2.88 0.01 . 1 . . . . . . . . 5561 1 537 . 1 1 64 64 VAL N N 15 117.6 0.01 . 1 . . . . . . . . 5561 1 538 . 1 1 64 64 VAL H H 1 8.32 0.01 . 1 . . . . . . . . 5561 1 539 . 1 1 64 64 VAL HA H 1 3.74 0.01 . 1 . . . . . . . . 5561 1 540 . 1 1 64 64 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 5561 1 541 . 1 1 64 64 VAL HG11 H 1 1.11 0.01 . 2 . . . . . . . . 5561 1 542 . 1 1 64 64 VAL HG12 H 1 1.11 0.01 . 2 . . . . . . . . 5561 1 543 . 1 1 64 64 VAL HG13 H 1 1.11 0.01 . 2 . . . . . . . . 5561 1 544 . 1 1 64 64 VAL HG21 H 1 1.00 0.01 . 2 . . . . . . . . 5561 1 545 . 1 1 64 64 VAL HG22 H 1 1.00 0.01 . 2 . . . . . . . . 5561 1 546 . 1 1 64 64 VAL HG23 H 1 1.00 0.01 . 2 . . . . . . . . 5561 1 547 . 1 1 65 65 PHE N N 15 122.2 0.01 . 1 . . . . . . . . 5561 1 548 . 1 1 65 65 PHE H H 1 7.81 0.01 . 1 . . . . . . . . 5561 1 549 . 1 1 65 65 PHE HA H 1 4.24 0.01 . 1 . . . . . . . . 5561 1 550 . 1 1 65 65 PHE HB2 H 1 3.31 0.01 . 2 . . . . . . . . 5561 1 551 . 1 1 65 65 PHE HB3 H 1 3.23 0.01 . 2 . . . . . . . . 5561 1 552 . 1 1 65 65 PHE HD1 H 1 7.15 0.01 . 1 . . . . . . . . 5561 1 553 . 1 1 65 65 PHE HD2 H 1 7.15 0.01 . 1 . . . . . . . . 5561 1 554 . 1 1 65 65 PHE HE1 H 1 7.19 0.01 . 1 . . . . . . . . 5561 1 555 . 1 1 65 65 PHE HE2 H 1 7.19 0.01 . 1 . . . . . . . . 5561 1 556 . 1 1 66 66 LEU N N 15 119.8 0.01 . 1 . . . . . . . . 5561 1 557 . 1 1 66 66 LEU H H 1 8.71 0.01 . 1 . . . . . . . . 5561 1 558 . 1 1 66 66 LEU HA H 1 3.67 0.01 . 1 . . . . . . . . 5561 1 559 . 1 1 66 66 LEU HB2 H 1 1.81 0.01 . 2 . . . . . . . . 5561 1 560 . 1 1 66 66 LEU HB3 H 1 1.67 0.01 . 2 . . . . . . . . 5561 1 561 . 1 1 66 66 LEU HG H 1 2.07 0.01 . 1 . . . . . . . . 5561 1 562 . 1 1 66 66 LEU HD11 H 1 0.81 0.01 . 2 . . . . . . . . 5561 1 563 . 1 1 66 66 LEU HD12 H 1 0.81 0.01 . 2 . . . . . . . . 5561 1 564 . 1 1 66 66 LEU HD13 H 1 0.81 0.01 . 2 . . . . . . . . 5561 1 565 . 1 1 66 66 LEU HD21 H 1 0.22 0.01 . 2 . . . . . . . . 5561 1 566 . 1 1 66 66 LEU HD22 H 1 0.22 0.01 . 2 . . . . . . . . 5561 1 567 . 1 1 66 66 LEU HD23 H 1 0.22 0.01 . 2 . . . . . . . . 5561 1 568 . 1 1 67 67 GLU N N 15 118.0 0.01 . 1 . . . . . . . . 5561 1 569 . 1 1 67 67 GLU H H 1 8.81 0.01 . 1 . . . . . . . . 5561 1 570 . 1 1 67 67 GLU HA H 1 4.25 0.01 . 1 . . . . . . . . 5561 1 571 . 1 1 67 67 GLU HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5561 1 572 . 1 1 67 67 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5561 1 573 . 1 1 67 67 GLU HG2 H 1 2.86 0.01 . 2 . . . . . . . . 5561 1 574 . 1 1 67 67 GLU HG3 H 1 2.60 0.01 . 2 . . . . . . . . 5561 1 575 . 1 1 68 68 SER N N 15 116.8 0.01 . 1 . . . . . . . . 5561 1 576 . 1 1 68 68 SER H H 1 8.54 0.01 . 1 . . . . . . . . 5561 1 577 . 1 1 68 68 SER HA H 1 4.24 0.01 . 1 . . . . . . . . 5561 1 578 . 1 1 68 68 SER HB2 H 1 4.03 0.01 . 2 . . . . . . . . 5561 1 579 . 1 1 68 68 SER HB3 H 1 4.00 0.01 . 2 . . . . . . . . 5561 1 580 . 1 1 69 69 GLN N N 15 117.6 0.01 . 1 . . . . . . . . 5561 1 581 . 1 1 69 69 GLN H H 1 7.35 0.01 . 1 . . . . . . . . 5561 1 582 . 1 1 69 69 GLN HA H 1 4.25 0.01 . 1 . . . . . . . . 5561 1 583 . 1 1 69 69 GLN HB2 H 1 1.50 0.01 . 2 . . . . . . . . 5561 1 584 . 1 1 69 69 GLN HB3 H 1 1.45 0.01 . 2 . . . . . . . . 5561 1 585 . 1 1 69 69 GLN HG2 H 1 2.25 0.01 . 2 . . . . . . . . 5561 1 586 . 1 1 69 69 GLN HG3 H 1 1.81 0.01 . 2 . . . . . . . . 5561 1 587 . 1 1 69 69 GLN NE2 N 15 111.7 0.01 . 1 . . . . . . . . 5561 1 588 . 1 1 69 69 GLN HE21 H 1 6.43 0.01 . 2 . . . . . . . . 5561 1 589 . 1 1 69 69 GLN HE22 H 1 6.75 0.01 . 2 . . . . . . . . 5561 1 590 . 1 1 70 70 GLY N N 15 109.3 0.01 . 1 . . . . . . . . 5561 1 591 . 1 1 70 70 GLY H H 1 7.75 0.01 . 1 . . . . . . . . 5561 1 592 . 1 1 70 70 GLY HA2 H 1 3.93 0.01 . 2 . . . . . . . . 5561 1 593 . 1 1 70 70 GLY HA3 H 1 3.89 0.01 . 2 . . . . . . . . 5561 1 594 . 1 1 71 71 ILE N N 15 121.1 0.01 . 1 . . . . . . . . 5561 1 595 . 1 1 71 71 ILE H H 1 8.22 0.01 . 1 . . . . . . . . 5561 1 596 . 1 1 71 71 ILE HA H 1 3.97 0.01 . 1 . . . . . . . . 5561 1 597 . 1 1 71 71 ILE HB H 1 1.69 0.01 . 1 . . . . . . . . 5561 1 598 . 1 1 71 71 ILE HG21 H 1 0.87 0.01 . 1 . . . . . . . . 5561 1 599 . 1 1 71 71 ILE HG22 H 1 0.87 0.01 . 1 . . . . . . . . 5561 1 600 . 1 1 71 71 ILE HG23 H 1 0.87 0.01 . 1 . . . . . . . . 5561 1 601 . 1 1 71 71 ILE HD11 H 1 0.66 0.01 . 1 . . . . . . . . 5561 1 602 . 1 1 71 71 ILE HD12 H 1 0.66 0.01 . 1 . . . . . . . . 5561 1 603 . 1 1 71 71 ILE HD13 H 1 0.66 0.01 . 1 . . . . . . . . 5561 1 604 . 1 1 72 72 ALA N N 15 132.6 0.01 . 1 . . . . . . . . 5561 1 605 . 1 1 72 72 ALA H H 1 8.71 0.01 . 1 . . . . . . . . 5561 1 606 . 1 1 72 72 ALA HA H 1 4.26 0.01 . 1 . . . . . . . . 5561 1 607 . 1 1 72 72 ALA HB1 H 1 1.44 0.01 . 1 . . . . . . . . 5561 1 608 . 1 1 72 72 ALA HB2 H 1 1.44 0.01 . 1 . . . . . . . . 5561 1 609 . 1 1 72 72 ALA HB3 H 1 1.44 0.01 . 1 . . . . . . . . 5561 1 610 . 1 1 73 73 TYR N N 15 115.3 0.01 . 1 . . . . . . . . 5561 1 611 . 1 1 73 73 TYR H H 1 7.87 0.01 . 1 . . . . . . . . 5561 1 612 . 1 1 73 73 TYR HA H 1 5.71 0.01 . 1 . . . . . . . . 5561 1 613 . 1 1 73 73 TYR HB2 H 1 2.94 0.01 . 2 . . . . . . . . 5561 1 614 . 1 1 73 73 TYR HB3 H 1 2.80 0.01 . 2 . . . . . . . . 5561 1 615 . 1 1 73 73 TYR HD1 H 1 6.97 0.01 . 1 . . . . . . . . 5561 1 616 . 1 1 73 73 TYR HD2 H 1 6.97 0.01 . 1 . . . . . . . . 5561 1 617 . 1 1 73 73 TYR HE1 H 1 6.75 0.01 . 1 . . . . . . . . 5561 1 618 . 1 1 73 73 TYR HE2 H 1 6.75 0.01 . 1 . . . . . . . . 5561 1 619 . 1 1 74 74 SER N N 15 113.7 0.01 . 1 . . . . . . . . 5561 1 620 . 1 1 74 74 SER H H 1 9.14 0.01 . 1 . . . . . . . . 5561 1 621 . 1 1 74 74 SER HA H 1 4.53 0.01 . 1 . . . . . . . . 5561 1 622 . 1 1 74 74 SER HB2 H 1 3.80 0.01 . 1 . . . . . . . . 5561 1 623 . 1 1 74 74 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 5561 1 624 . 1 1 75 75 ILE N N 15 122.9 0.01 . 1 . . . . . . . . 5561 1 625 . 1 1 75 75 ILE H H 1 8.88 0.01 . 1 . . . . . . . . 5561 1 626 . 1 1 75 75 ILE HA H 1 4.26 0.01 . 1 . . . . . . . . 5561 1 627 . 1 1 75 75 ILE HB H 1 1.89 0.01 . 1 . . . . . . . . 5561 1 628 . 1 1 75 75 ILE HG21 H 1 0.82 0.01 . 1 . . . . . . . . 5561 1 629 . 1 1 75 75 ILE HG22 H 1 0.82 0.01 . 1 . . . . . . . . 5561 1 630 . 1 1 75 75 ILE HG23 H 1 0.82 0.01 . 1 . . . . . . . . 5561 1 631 . 1 1 75 75 ILE HG12 H 1 1.16 0.01 . 2 . . . . . . . . 5561 1 632 . 1 1 75 75 ILE HG13 H 1 1.64 0.01 . 2 . . . . . . . . 5561 1 633 . 1 1 75 75 ILE HD11 H 1 0.94 0.01 . 1 . . . . . . . . 5561 1 634 . 1 1 75 75 ILE HD12 H 1 0.94 0.01 . 1 . . . . . . . . 5561 1 635 . 1 1 75 75 ILE HD13 H 1 0.94 0.01 . 1 . . . . . . . . 5561 1 636 . 1 1 76 76 MET N N 15 129.7 0.01 . 1 . . . . . . . . 5561 1 637 . 1 1 76 76 MET H H 1 8.97 0.01 . 1 . . . . . . . . 5561 1 638 . 1 1 76 76 MET HA H 1 4.40 0.01 . 1 . . . . . . . . 5561 1 639 . 1 1 76 76 MET HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5561 1 640 . 1 1 76 76 MET HB3 H 1 1.81 0.01 . 2 . . . . . . . . 5561 1 641 . 1 1 76 76 MET HG2 H 1 2.46 0.01 . 2 . . . . . . . . 5561 1 642 . 1 1 76 76 MET HG3 H 1 2.25 0.01 . 2 . . . . . . . . 5561 1 643 . 1 1 77 77 ILE N N 15 119.4 0.01 . 1 . . . . . . . . 5561 1 644 . 1 1 77 77 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 5561 1 645 . 1 1 77 77 ILE HA H 1 4.30 0.01 . 1 . . . . . . . . 5561 1 646 . 1 1 77 77 ILE HB H 1 1.64 0.01 . 1 . . . . . . . . 5561 1 647 . 1 1 77 77 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5561 1 648 . 1 1 77 77 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5561 1 649 . 1 1 77 77 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5561 1 650 . 1 1 77 77 ILE HG12 H 1 1.41 0.01 . 2 . . . . . . . . 5561 1 651 . 1 1 77 77 ILE HG13 H 1 1.15 0.01 . 2 . . . . . . . . 5561 1 652 . 1 1 77 77 ILE HD11 H 1 0.95 0.01 . 1 . . . . . . . . 5561 1 653 . 1 1 77 77 ILE HD12 H 1 0.95 0.01 . 1 . . . . . . . . 5561 1 654 . 1 1 77 77 ILE HD13 H 1 0.95 0.01 . 1 . . . . . . . . 5561 1 655 . 1 1 78 78 GLU N N 15 125.6 0.01 . 1 . . . . . . . . 5561 1 656 . 1 1 78 78 GLU H H 1 8.65 0.01 . 1 . . . . . . . . 5561 1 657 . 1 1 78 78 GLU HA H 1 4.35 0.01 . 1 . . . . . . . . 5561 1 658 . 1 1 78 78 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5561 1 659 . 1 1 78 78 GLU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5561 1 660 . 1 1 78 78 GLU HG2 H 1 2.24 0.01 . 1 . . . . . . . . 5561 1 661 . 1 1 78 78 GLU HG3 H 1 2.24 0.01 . 1 . . . . . . . . 5561 1 662 . 1 1 79 79 ASP N N 15 120.9 0.01 . 1 . . . . . . . . 5561 1 663 . 1 1 79 79 ASP H H 1 8.24 0.01 . 1 . . . . . . . . 5561 1 664 . 1 1 79 79 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 5561 1 665 . 1 1 79 79 ASP HB2 H 1 2.77 0.01 . 2 . . . . . . . . 5561 1 666 . 1 1 79 79 ASP HB3 H 1 2.51 0.01 . 2 . . . . . . . . 5561 1 667 . 1 1 80 80 VAL N N 15 122.3 0.01 . 1 . . . . . . . . 5561 1 668 . 1 1 80 80 VAL H H 1 8.39 0.01 . 1 . . . . . . . . 5561 1 669 . 1 1 80 80 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . 5561 1 670 . 1 1 80 80 VAL HB H 1 2.00 0.01 . 1 . . . . . . . . 5561 1 671 . 1 1 80 80 VAL HG11 H 1 0.94 0.01 . 2 . . . . . . . . 5561 1 672 . 1 1 80 80 VAL HG12 H 1 0.94 0.01 . 2 . . . . . . . . 5561 1 673 . 1 1 80 80 VAL HG13 H 1 0.94 0.01 . 2 . . . . . . . . 5561 1 674 . 1 1 80 80 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 5561 1 675 . 1 1 80 80 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 5561 1 676 . 1 1 80 80 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 5561 1 677 . 1 1 81 81 GLN N N 15 129.9 0.01 . 1 . . . . . . . . 5561 1 678 . 1 1 81 81 GLN H H 1 8.11 0.01 . 1 . . . . . . . . 5561 1 679 . 1 1 81 81 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 5561 1 680 . 1 1 81 81 GLN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5561 1 681 . 1 1 81 81 GLN HB3 H 1 1.91 0.01 . 2 . . . . . . . . 5561 1 682 . 1 1 81 81 GLN HG2 H 1 2.31 0.01 . 1 . . . . . . . . 5561 1 683 . 1 1 81 81 GLN HG3 H 1 2.31 0.01 . 1 . . . . . . . . 5561 1 684 . 1 1 81 81 GLN NE2 N 15 113.2 0.01 . 1 . . . . . . . . 5561 1 685 . 1 1 81 81 GLN HE21 H 1 7.71 0.01 . 2 . . . . . . . . 5561 1 686 . 1 1 81 81 GLN HE22 H 1 6.74 0.01 . 2 . . . . . . . . 5561 1 stop_ save_