################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6458 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 6458 1 . . 2 $sample_2 isotropic 6458 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 4.20 . . 1 . . . . 1 MET HA . 6458 1 2 . 1 1 2 2 GLN H H 1 8.92 . . 1 . . . . 2 GLN H . 6458 1 3 . 1 1 2 2 GLN HA H 1 5.27 . . 1 . . . . 2 GLN HA . 6458 1 4 . 1 1 2 2 GLN HB2 H 1 1.87 . . 2 . . . . 2 GLN HB2 . 6458 1 5 . 1 1 2 2 GLN HB3 H 1 1.60 . . 2 . . . . 2 GLN HB3 . 6458 1 6 . 1 1 2 2 GLN HG2 H 1 2.24 . . 2 . . . . 2 GLN HG2 . 6458 1 7 . 1 1 3 3 ILE H H 1 8.31 . . 1 . . . . 3 ILE H . 6458 1 8 . 1 1 3 3 ILE HA H 1 4.13 . . 1 . . . . 3 ILE HA . 6458 1 9 . 1 1 3 3 ILE HB H 1 1.76 . . 1 . . . . 3 ILE HB . 6458 1 10 . 1 1 3 3 ILE HG12 H 1 1.07 . . 2 . . . . 3 ILE HG12 . 6458 1 11 . 1 1 3 3 ILE HG13 H 1 0.84 . . . . . . . 3 ILE HG13 . 6458 1 12 . 1 1 3 3 ILE HG21 H 1 0.63 . . 1 . . . . 3 ILE HG2 . 6458 1 13 . 1 1 3 3 ILE HG22 H 1 0.63 . . 1 . . . . 3 ILE HG2 . 6458 1 14 . 1 1 3 3 ILE HG23 H 1 0.63 . . 1 . . . . 3 ILE HG2 . 6458 1 15 . 1 1 3 3 ILE HD11 H 1 0.56 . . 1 . . . . 3 ILE HD1 . 6458 1 16 . 1 1 3 3 ILE HD12 H 1 0.56 . . 1 . . . . 3 ILE HD1 . 6458 1 17 . 1 1 3 3 ILE HD13 H 1 0.56 . . 1 . . . . 3 ILE HD1 . 6458 1 18 . 1 1 4 4 PHE H H 1 8.59 . . 1 . . . . 4 PHE H . 6458 1 19 . 1 1 4 4 PHE HA H 1 5.61 . . 1 . . . . 4 PHE HA . 6458 1 20 . 1 1 4 4 PHE HB2 H 1 3.02 . . 2 . . . . 4 PHE HB2 . 6458 1 21 . 1 1 4 4 PHE HB3 H 1 2.86 . . 2 . . . . 4 PHE HB3 . 6458 1 22 . 1 1 4 4 PHE HD1 H 1 7.21 . . 3 . . . . 4 PHE HD1 . 6458 1 23 . 1 1 4 4 PHE HE1 H 1 7.05 . . 3 . . . . 4 PHE HE1 . 6458 1 24 . 1 1 4 4 PHE HZ H 1 6.75 . . 1 . . . . 4 PHE HZ . 6458 1 25 . 1 1 5 5 VAL H H 1 9.29 . . 1 . . . . 5 VAL H . 6458 1 26 . 1 1 5 5 VAL HA H 1 4.81 . . 1 . . . . 5 VAL HA . 6458 1 27 . 1 1 5 5 VAL HB H 1 1.89 . . 1 . . . . 5 VAL HB . 6458 1 28 . 1 1 5 5 VAL HG11 H 1 0.71 . . 2 . . . . 5 VAL HG1 . 6458 1 29 . 1 1 5 5 VAL HG12 H 1 0.71 . . 2 . . . . 5 VAL HG1 . 6458 1 30 . 1 1 5 5 VAL HG13 H 1 0.71 . . 2 . . . . 5 VAL HG1 . 6458 1 31 . 1 1 5 5 VAL HG21 H 1 0.76 . . 2 . . . . 5 VAL HG2 . 6458 1 32 . 1 1 5 5 VAL HG22 H 1 0.76 . . 2 . . . . 5 VAL HG2 . 6458 1 33 . 1 1 5 5 VAL HG23 H 1 0.76 . . 2 . . . . 5 VAL HG2 . 6458 1 34 . 1 1 6 6 LYS H H 1 8.93 . . 1 . . . . 6 LYS H . 6458 1 35 . 1 1 6 6 LYS HA H 1 5.28 . . 1 . . . . 6 LYS HA . 6458 1 36 . 1 1 6 6 LYS HB2 H 1 1.69 . . 2 . . . . 6 LYS HB2 . 6458 1 37 . 1 1 6 6 LYS HB3 H 1 1.37 . . 2 . . . . 6 LYS HB3 . 6458 1 38 . 1 1 6 6 LYS HG2 H 1 1.29 . . 2 . . . . 6 LYS HG2 . 6458 1 39 . 1 1 6 6 LYS HG3 H 1 1.57 . . 2 . . . . 6 LYS HG3 . 6458 1 40 . 1 1 6 6 LYS HD2 H 1 1.42 . . 2 . . . . 6 LYS HD2 . 6458 1 41 . 1 1 6 6 LYS HE2 H 1 2.91 . . 2 . . . . 6 LYS HE2 . 6458 1 42 . 1 1 7 7 THR H H 1 8.72 . . 1 . . . . 7 THR H . 6458 1 43 . 1 1 7 7 THR HA H 1 4.93 . . 1 . . . . 7 THR HA . 6458 1 44 . 1 1 7 7 THR HB H 1 4.80 . . 1 . . . . 7 THR HB . 6458 1 45 . 1 1 7 7 THR HG21 H 1 1.24 . . 1 . . . . 7 THR HG2 . 6458 1 46 . 1 1 7 7 THR HG22 H 1 1.24 . . 1 . . . . 7 THR HG2 . 6458 1 47 . 1 1 7 7 THR HG23 H 1 1.24 . . 1 . . . . 7 THR HG2 . 6458 1 48 . 1 1 8 8 LEU H H 1 9.06 . . 1 . . . . 8 LEU H . 6458 1 49 . 1 1 8 8 LEU HA H 1 4.27 . . 1 . . . . 8 LEU HA . 6458 1 50 . 1 1 8 8 LEU HB2 H 1 1.73 . . 2 . . . . 8 LEU HB2 . 6458 1 51 . 1 1 8 8 LEU HB3 H 1 1.91 . . 2 . . . . 8 LEU HB3 . 6458 1 52 . 1 1 8 8 LEU HG H 1 1.85 . . 1 . . . . 8 LEU HG . 6458 1 53 . 1 1 8 8 LEU HD11 H 1 1.02 . . 2 . . . . 8 LEU HD1 . 6458 1 54 . 1 1 8 8 LEU HD12 H 1 1.02 . . 2 . . . . 8 LEU HD1 . 6458 1 55 . 1 1 8 8 LEU HD13 H 1 1.02 . . 2 . . . . 8 LEU HD1 . 6458 1 56 . 1 1 8 8 LEU HD21 H 1 0.95 . . 2 . . . . 8 LEU HD2 . 6458 1 57 . 1 1 8 8 LEU HD22 H 1 0.95 . . 2 . . . . 8 LEU HD2 . 6458 1 58 . 1 1 8 8 LEU HD23 H 1 0.95 . . 2 . . . . 8 LEU HD2 . 6458 1 59 . 1 1 9 9 THR H H 1 7.62 . . 1 . . . . 9 THR H . 6458 1 60 . 1 1 9 9 THR HA H 1 4.38 . . 1 . . . . 9 THR HA . 6458 1 61 . 1 1 9 9 THR HB H 1 4.56 . . 1 . . . . 9 THR HB . 6458 1 62 . 1 1 9 9 THR HG21 H 1 1.24 . . 1 . . . . 9 THR HG2 . 6458 1 63 . 1 1 9 9 THR HG22 H 1 1.24 . . 1 . . . . 9 THR HG2 . 6458 1 64 . 1 1 9 9 THR HG23 H 1 1.24 . . 1 . . . . 9 THR HG2 . 6458 1 65 . 1 1 10 10 GLY H H 1 7.81 . . 1 . . . . 10 GLY H . 6458 1 66 . 1 1 10 10 GLY HA2 H 1 4.31 . . 2 . . . . 10 GLY HA2 . 6458 1 67 . 1 1 10 10 GLY HA3 H 1 3.58 . . 2 . . . . 10 GLY HA3 . 6458 1 68 . 1 1 11 11 LYS H H 1 7.26 . . 1 . . . . 11 LYS H . 6458 1 69 . 1 1 11 11 LYS HA H 1 4.32 . . 1 . . . . 11 LYS HA . 6458 1 70 . 1 1 11 11 LYS HB2 H 1 1.78 . . 2 . . . . 11 LYS HB2 . 6458 1 71 . 1 1 11 11 LYS HB3 H 1 1.68 . . 2 . . . . 11 LYS HB3 . 6458 1 72 . 1 1 11 11 LYS HG2 H 1 1.36 . . 2 . . . . 11 LYS HG2 . 6458 1 73 . 1 1 11 11 LYS HG3 H 1 1.20 . . 2 . . . . 11 LYS HG3 . 6458 1 74 . 1 1 11 11 LYS HE2 H 1 2.91 . . 1 . . . . 11 LYS HE . 6458 1 75 . 1 1 11 11 LYS HE3 H 1 2.91 . . 1 . . . . 11 LYS HE . 6458 1 76 . 1 1 12 12 THR H H 1 8.60 . . 1 . . . . 12 THR H . 6458 1 77 . 1 1 12 12 THR HA H 1 5.04 . . 1 . . . . 12 THR HA . 6458 1 78 . 1 1 12 12 THR HB H 1 3.92 . . 1 . . . . 12 THR HB . 6458 1 79 . 1 1 12 12 THR HG21 H 1 1.06 . . 1 . . . . 12 THR HG2 . 6458 1 80 . 1 1 12 12 THR HG22 H 1 1.06 . . 1 . . . . 12 THR HG2 . 6458 1 81 . 1 1 12 12 THR HG23 H 1 1.06 . . 1 . . . . 12 THR HG2 . 6458 1 82 . 1 1 13 13 ILE H H 1 9.52 . . 1 . . . . 13 ILE H . 6458 1 83 . 1 1 13 13 ILE HA H 1 4.48 . . 1 . . . . 13 ILE HA . 6458 1 84 . 1 1 13 13 ILE HB H 1 1.85 . . 1 . . . . 13 ILE HB . 6458 1 85 . 1 1 13 13 ILE HG12 H 1 1.08 . . 2 . . . . 13 ILE HG12 . 6458 1 86 . 1 1 13 13 ILE HG13 H 1 1.41 . . 2 . . . . 13 ILE HG13 . 6458 1 87 . 1 1 13 13 ILE HG21 H 1 0.85 . . 1 . . . . 13 ILE HG2 . 6458 1 88 . 1 1 13 13 ILE HG22 H 1 0.85 . . 1 . . . . 13 ILE HG2 . 6458 1 89 . 1 1 13 13 ILE HG23 H 1 0.85 . . 1 . . . . 13 ILE HG2 . 6458 1 90 . 1 1 13 13 ILE HD11 H 1 0.70 . . 1 . . . . 13 ILE HD1 . 6458 1 91 . 1 1 13 13 ILE HD12 H 1 0.70 . . 1 . . . . 13 ILE HD1 . 6458 1 92 . 1 1 13 13 ILE HD13 H 1 0.70 . . 1 . . . . 13 ILE HD1 . 6458 1 93 . 1 1 14 14 THR H H 1 8.69 . . 1 . . . . 14 THR H . 6458 1 94 . 1 1 14 14 THR HA H 1 4.96 . . 1 . . . . 14 THR HA . 6458 1 95 . 1 1 14 14 THR HB H 1 4.01 . . 1 . . . . 14 THR HB . 6458 1 96 . 1 1 14 14 THR HG21 H 1 1.11 . . 1 . . . . 14 THR HG2 . 6458 1 97 . 1 1 14 14 THR HG22 H 1 1.11 . . 1 . . . . 14 THR HG2 . 6458 1 98 . 1 1 14 14 THR HG23 H 1 1.11 . . 1 . . . . 14 THR HG2 . 6458 1 99 . 1 1 15 15 LEU H H 1 8.71 . . 1 . . . . 15 LEU H . 6458 1 100 . 1 1 15 15 LEU HA H 1 4.74 . . 1 . . . . 15 LEU HA . 6458 1 101 . 1 1 15 15 LEU HB2 H 1 1.34 . . 2 . . . . 15 LEU HB2 . 6458 1 102 . 1 1 15 15 LEU HB3 H 1 1.21 . . 2 . . . . 15 LEU HB3 . 6458 1 103 . 1 1 15 15 LEU HG H 1 1.43 . . 1 . . . . 15 LEU HG . 6458 1 104 . 1 1 15 15 LEU HD11 H 1 0.79 . . 2 . . . . 15 LEU HD1 . 6458 1 105 . 1 1 15 15 LEU HD12 H 1 0.79 . . 2 . . . . 15 LEU HD1 . 6458 1 106 . 1 1 15 15 LEU HD13 H 1 0.79 . . 2 . . . . 15 LEU HD1 . 6458 1 107 . 1 1 15 15 LEU HD21 H 1 0.74 . . 2 . . . . 15 LEU HD2 . 6458 1 108 . 1 1 15 15 LEU HD22 H 1 0.74 . . 2 . . . . 15 LEU HD2 . 6458 1 109 . 1 1 15 15 LEU HD23 H 1 0.74 . . 2 . . . . 15 LEU HD2 . 6458 1 110 . 1 1 16 16 GLU H H 1 8.11 . . 1 . . . . 16 GLU H . 6458 1 111 . 1 1 16 16 GLU HA H 1 4.87 . . 1 . . . . 16 GLU HA . 6458 1 112 . 1 1 16 16 GLU HB2 H 1 1.81 . . 2 . . . . 16 GLU HB2 . 6458 1 113 . 1 1 16 16 GLU HB3 H 1 1.92 . . 2 . . . . 16 GLU HB3 . 6458 1 114 . 1 1 16 16 GLU HG2 H 1 2.08 . . 2 . . . . 16 GLU HG2 . 6458 1 115 . 1 1 16 16 GLU HG3 H 1 2.22 . . 2 . . . . 16 GLU HG3 . 6458 1 116 . 1 1 17 17 VAL H H 1 8.91 . . 1 . . . . 17 VAL H . 6458 1 117 . 1 1 17 17 VAL HA H 1 4.63 . . 1 . . . . 17 VAL HA . 6458 1 118 . 1 1 17 17 VAL HB H 1 2.33 . . 1 . . . . 17 VAL HB . 6458 1 119 . 1 1 17 17 VAL HG11 H 1 0.44 . . 2 . . . . 17 VAL HG1 . 6458 1 120 . 1 1 17 17 VAL HG12 H 1 0.44 . . 2 . . . . 17 VAL HG1 . 6458 1 121 . 1 1 17 17 VAL HG13 H 1 0.44 . . 2 . . . . 17 VAL HG1 . 6458 1 122 . 1 1 17 17 VAL HG21 H 1 0.70 . . 2 . . . . 17 VAL HG2 . 6458 1 123 . 1 1 17 17 VAL HG22 H 1 0.70 . . 2 . . . . 17 VAL HG2 . 6458 1 124 . 1 1 17 17 VAL HG23 H 1 0.70 . . 2 . . . . 17 VAL HG2 . 6458 1 125 . 1 1 18 18 GLU H H 1 8.67 . . 1 . . . . 18 GLU H . 6458 1 126 . 1 1 18 18 GLU HA H 1 5.05 . . 1 . . . . 18 GLU HA . 6458 1 127 . 1 1 18 18 GLU HB2 H 1 1.58 . . 2 . . . . 18 GLU HB2 . 6458 1 128 . 1 1 19 19 PRO HA H 1 3.97 . . 1 . . . . 19 PRO HA . 6458 1 129 . 1 1 19 19 PRO HB2 H 1 2.22 . . 2 . . . . 19 PRO HB2 . 6458 1 130 . 1 1 19 19 PRO HB3 H 1 2.42 . . 2 . . . . 19 PRO HB3 . 6458 1 131 . 1 1 19 19 PRO HG2 H 1 2.03 . . 2 . . . . 19 PRO HG2 . 6458 1 132 . 1 1 19 19 PRO HG3 H 1 1.58 . . 2 . . . . 19 PRO HG3 . 6458 1 133 . 1 1 19 19 PRO HD2 H 1 4.06 . . 2 . . . . 19 PRO HD2 . 6458 1 134 . 1 1 19 19 PRO HD3 H 1 3.78 . . 2 . . . . 19 PRO HD3 . 6458 1 135 . 1 1 20 20 SER H H 1 7.02 . . 1 . . . . 20 SER H . 6458 1 136 . 1 1 20 20 SER HA H 1 4.33 . . 1 . . . . 20 SER HA . 6458 1 137 . 1 1 20 20 SER HB2 H 1 4.14 . . 2 . . . . 20 SER HB2 . 6458 1 138 . 1 1 20 20 SER HB3 H 1 3.78 . . 2 . . . . 20 SER HB3 . 6458 1 139 . 1 1 21 21 ASP H H 1 8.03 . . 1 . . . . 21 ASP H . 6458 1 140 . 1 1 21 21 ASP HA H 1 4.62 . . 1 . . . . 21 ASP HA . 6458 1 141 . 1 1 21 21 ASP HB2 H 1 2.93 . . 2 . . . . 21 ASP HB2 . 6458 1 142 . 1 1 21 21 ASP HB3 H 1 2.90 . . 2 . . . . 21 ASP HB3 . 6458 1 143 . 1 1 22 22 THR H H 1 7.86 . . 1 . . . . 22 THR H . 6458 1 144 . 1 1 22 22 THR HA H 1 4.90 . . 1 . . . . 22 THR HA . 6458 1 145 . 1 1 22 22 THR HB H 1 4.78 . . 1 . . . . 22 THR HB . 6458 1 146 . 1 1 22 22 THR HG21 H 1 1.16 . . 1 . . . . 22 THR HG2 . 6458 1 147 . 1 1 22 22 THR HG22 H 1 1.16 . . 1 . . . . 22 THR HG2 . 6458 1 148 . 1 1 22 22 THR HG23 H 1 1.16 . . 1 . . . . 22 THR HG2 . 6458 1 149 . 1 1 23 23 ILE H H 1 8.51 . . 1 . . . . 23 ILE H . 6458 1 150 . 1 1 23 23 ILE HA H 1 3.61 . . 1 . . . . 23 ILE HA . 6458 1 151 . 1 1 23 23 ILE HB H 1 2.46 . . 1 . . . . 23 ILE HB . 6458 1 152 . 1 1 23 23 ILE HG12 H 1 1.90 . . 2 . . . . 23 ILE HG12 . 6458 1 153 . 1 1 23 23 ILE HG13 H 1 1.30 . . 2 . . . . 23 ILE HG13 . 6458 1 154 . 1 1 23 23 ILE HG21 H 1 0.76 . . 1 . . . . 23 ILE HG2 . 6458 1 155 . 1 1 23 23 ILE HG22 H 1 0.76 . . 1 . . . . 23 ILE HG2 . 6458 1 156 . 1 1 23 23 ILE HG23 H 1 0.76 . . 1 . . . . 23 ILE HG2 . 6458 1 157 . 1 1 23 23 ILE HD11 H 1 0.57 . . 1 . . . . 23 ILE HD1 . 6458 1 158 . 1 1 23 23 ILE HD12 H 1 0.57 . . 1 . . . . 23 ILE HD1 . 6458 1 159 . 1 1 23 23 ILE HD13 H 1 0.57 . . 1 . . . . 23 ILE HD1 . 6458 1 160 . 1 1 24 24 GLU H H 1 10.01 . . 1 . . . . 24 GLU H . 6458 1 161 . 1 1 24 24 GLU HA H 1 3.87 . . 1 . . . . 24 GLU HA . 6458 1 162 . 1 1 24 24 GLU HB2 H 1 2.01 . . 2 . . . . 24 GLU HB2 . 6458 1 163 . 1 1 24 24 GLU HG2 H 1 2.36 . . 2 . . . . 24 GLU HG2 . 6458 1 164 . 1 1 25 25 ASN H H 1 7.91 . . 1 . . . . 25 ASN H . 6458 1 165 . 1 1 25 25 ASN HA H 1 4.51 . . 1 . . . . 25 ASN HA . 6458 1 166 . 1 1 25 25 ASN HB2 H 1 3.19 . . 2 . . . . 25 ASN HB2 . 6458 1 167 . 1 1 25 25 ASN HB3 H 1 2.84 . . 2 . . . . 25 ASN HB3 . 6458 1 168 . 1 1 26 26 VAL H H 1 8.09 . . 1 . . . . 26 VAL H . 6458 1 169 . 1 1 26 26 VAL HA H 1 3.38 . . 1 . . . . 26 VAL HA . 6458 1 170 . 1 1 26 26 VAL HB H 1 2.33 . . 1 . . . . 26 VAL HB . 6458 1 171 . 1 1 26 26 VAL HG11 H 1 0.97 . . 2 . . . . 26 VAL HG1 . 6458 1 172 . 1 1 26 26 VAL HG12 H 1 0.97 . . 2 . . . . 26 VAL HG1 . 6458 1 173 . 1 1 26 26 VAL HG13 H 1 0.97 . . 2 . . . . 26 VAL HG1 . 6458 1 174 . 1 1 26 26 VAL HG21 H 1 0.68 . . 2 . . . . 26 VAL HG2 . 6458 1 175 . 1 1 26 26 VAL HG22 H 1 0.68 . . 2 . . . . 26 VAL HG2 . 6458 1 176 . 1 1 26 26 VAL HG23 H 1 0.68 . . 2 . . . . 26 VAL HG2 . 6458 1 177 . 1 1 27 27 LYS H H 1 8.54 . . 1 . . . . 27 LYS H . 6458 1 178 . 1 1 27 27 LYS HA H 1 4.54 . . 1 . . . . 27 LYS HA . 6458 1 179 . 1 1 27 27 LYS HB2 H 1 1.99 . . 2 . . . . 27 LYS HB2 . 6458 1 180 . 1 1 27 27 LYS HG2 H 1 1.82 . . 2 . . . . 27 LYS HG2 . 6458 1 181 . 1 1 27 27 LYS HG3 H 1 1.58 . . 2 . . . . 27 LYS HG3 . 6458 1 182 . 1 1 28 28 ALA H H 1 7.98 . . 1 . . . . 28 ALA H . 6458 1 183 . 1 1 28 28 ALA HA H 1 4.13 . . 1 . . . . 28 ALA HA . 6458 1 184 . 1 1 28 28 ALA HB1 H 1 1.61 . . 1 . . . . 28 ALA HB . 6458 1 185 . 1 1 28 28 ALA HB2 H 1 1.61 . . 1 . . . . 28 ALA HB . 6458 1 186 . 1 1 28 28 ALA HB3 H 1 1.61 . . 1 . . . . 28 ALA HB . 6458 1 187 . 1 1 29 29 LYS H H 1 7.86 . . 1 . . . . 29 LYS H . 6458 1 188 . 1 1 29 29 LYS HA H 1 4.17 . . 1 . . . . 29 LYS HA . 6458 1 189 . 1 1 29 29 LYS HB2 H 1 2.12 . . 2 . . . . 29 LYS HB2 . 6458 1 190 . 1 1 29 29 LYS HG2 H 1 1.93 . . . . . . . 29 LYS HG2 . 6458 1 191 . 1 1 29 29 LYS HG3 H 1 1.64 . . 2 . . . . 29 LYS HG3 . 6458 1 192 . 1 1 29 29 LYS HD2 H 1 1.76 . . . . . . . 29 LYS HD2 . 6458 1 193 . 1 1 29 29 LYS HD3 H 1 1.43 . . 2 . . . . 29 LYS HD3 . 6458 1 194 . 1 1 29 29 LYS HE2 H 1 2.99 . . 2 . . . . 29 LYS HE2 . 6458 1 195 . 1 1 30 30 ILE H H 1 8.27 . . 1 . . . . 30 ILE H . 6458 1 196 . 1 1 30 30 ILE HA H 1 3.47 . . 1 . . . . 30 ILE HA . 6458 1 197 . 1 1 30 30 ILE HB H 1 2.33 . . 1 . . . . 30 ILE HB . 6458 1 198 . 1 1 30 30 ILE HG12 H 1 1.97 . . 2 . . . . 30 ILE HG12 . 6458 1 199 . 1 1 30 30 ILE HG13 H 1 0.84 . . 2 . . . . 30 ILE HG13 . 6458 1 200 . 1 1 30 30 ILE HG21 H 1 0.67 . . 1 . . . . 30 ILE HG2 . 6458 1 201 . 1 1 30 30 ILE HG22 H 1 0.67 . . 1 . . . . 30 ILE HG2 . 6458 1 202 . 1 1 30 30 ILE HG23 H 1 0.67 . . 1 . . . . 30 ILE HG2 . 6458 1 203 . 1 1 30 30 ILE HD11 H 1 0.65 . . 1 . . . . 30 ILE HD1 . 6458 1 204 . 1 1 30 30 ILE HD12 H 1 0.65 . . 1 . . . . 30 ILE HD1 . 6458 1 205 . 1 1 30 30 ILE HD13 H 1 0.65 . . 1 . . . . 30 ILE HD1 . 6458 1 206 . 1 1 31 31 GLN H H 1 8.54 . . 1 . . . . 31 GLN H . 6458 1 207 . 1 1 31 31 GLN HA H 1 3.79 . . 1 . . . . 31 GLN HA . 6458 1 208 . 1 1 31 31 GLN HB2 H 1 2.47 . . 2 . . . . 31 GLN HB2 . 6458 1 209 . 1 1 32 32 ASP H H 1 8.00 . . 1 . . . . 32 ASP H . 6458 1 210 . 1 1 32 32 ASP HA H 1 4.31 . . 1 . . . . 32 ASP HA . 6458 1 211 . 1 1 32 32 ASP HB2 H 1 2.80 . . 2 . . . . 32 ASP HB2 . 6458 1 212 . 1 1 32 32 ASP HB3 H 1 2.73 . . 2 . . . . 32 ASP HB3 . 6458 1 213 . 1 1 33 33 LYS H H 1 7.43 . . 1 . . . . 33 LYS H . 6458 1 214 . 1 1 33 33 LYS HA H 1 4.28 . . 1 . . . . 33 LYS HA . 6458 1 215 . 1 1 33 33 LYS HB2 H 1 1.82 . . 2 . . . . 33 LYS HB2 . 6458 1 216 . 1 1 33 33 LYS HG2 H 1 1.71 . . 9 . . . . 33 LYS HG2 . 6458 1 217 . 1 1 33 33 LYS HG3 H 1 1.60 . . 9 . . . . 33 LYS HG3 . 6458 1 218 . 1 1 33 33 LYS HD2 H 1 2.01 . . 9 . . . . 33 LYS HD2 . 6458 1 219 . 1 1 33 33 LYS HE2 H 1 3.14 . . 2 . . . . 33 LYS HE2 . 6458 1 220 . 1 1 34 34 GLU H H 1 8.71 . . 1 . . . . 34 GLU H . 6458 1 221 . 1 1 34 34 GLU HA H 1 4.54 . . 1 . . . . 34 GLU HA . 6458 1 222 . 1 1 34 34 GLU HB2 H 1 1.66 . . 2 . . . . 34 GLU HB2 . 6458 1 223 . 1 1 34 34 GLU HG2 H 1 2.16 . . 2 . . . . 34 GLU HG2 . 6458 1 224 . 1 1 34 34 GLU HG3 H 1 2.08 . . 2 . . . . 34 GLU HG3 . 6458 1 225 . 1 1 35 35 GLY H H 1 8.48 . . 1 . . . . 35 GLY H . 6458 1 226 . 1 1 35 35 GLY HA2 H 1 3.90 . . 2 . . . . 35 GLY HA2 . 6458 1 227 . 1 1 35 35 GLY HA3 H 1 4.11 . . 2 . . . . 35 GLY HA3 . 6458 1 228 . 1 1 36 36 ILE H H 1 6.15 . . 1 . . . . 36 ILE H . 6458 1 229 . 1 1 36 36 ILE HA H 1 4.39 . . 1 . . . . 36 ILE HA . 6458 1 230 . 1 1 36 36 ILE HB H 1 1.40 . . 1 . . . . 36 ILE HB . 6458 1 231 . 1 1 36 36 ILE HG12 H 1 1.37 . . 2 . . . . 36 ILE HG12 . 6458 1 232 . 1 1 36 36 ILE HG13 H 1 1.07 . . 2 . . . . 36 ILE HG13 . 6458 1 233 . 1 1 36 36 ILE HG21 H 1 0.93 . . 1 . . . . 36 ILE HG2 . 6458 1 234 . 1 1 36 36 ILE HG22 H 1 0.93 . . 1 . . . . 36 ILE HG2 . 6458 1 235 . 1 1 36 36 ILE HG23 H 1 0.93 . . 1 . . . . 36 ILE HG2 . 6458 1 236 . 1 1 36 36 ILE HD11 H 1 0.76 . . 1 . . . . 36 ILE HD1 . 6458 1 237 . 1 1 36 36 ILE HD12 H 1 0.76 . . 1 . . . . 36 ILE HD1 . 6458 1 238 . 1 1 36 36 ILE HD13 H 1 0.76 . . 1 . . . . 36 ILE HD1 . 6458 1 239 . 1 1 37 37 PRO HA H 1 4.60 . . 1 . . . . 37 PRO HA . 6458 1 240 . 1 1 37 37 PRO HB2 H 1 2.40 . . 2 . . . . 37 PRO HB2 . 6458 1 241 . 1 1 37 37 PRO HB3 H 1 1.95 . . 2 . . . . 37 PRO HB3 . 6458 1 242 . 1 1 37 37 PRO HG2 H 1 2.08 . . 2 . . . . 37 PRO HG2 . 6458 1 243 . 1 1 37 37 PRO HG3 H 1 2.04 . . 2 . . . . 37 PRO HG3 . 6458 1 244 . 1 1 37 37 PRO HD2 H 1 4.17 . . 2 . . . . 37 PRO HD2 . 6458 1 245 . 1 1 37 37 PRO HD3 H 1 3.54 . . 2 . . . . 37 PRO HD3 . 6458 1 246 . 1 1 38 38 PRO HA H 1 4.09 . . 1 . . . . 38 PRO HA . 6458 1 247 . 1 1 38 38 PRO HB2 H 1 2.19 . . 2 . . . . 38 PRO HB2 . 6458 1 248 . 1 1 38 38 PRO HB3 H 1 2.03 . . 2 . . . . 38 PRO HB3 . 6458 1 249 . 1 1 38 38 PRO HG2 H 1 2.16 . . 2 . . . . 38 PRO HG2 . 6458 1 250 . 1 1 38 38 PRO HG3 H 1 1.62 . . 2 . . . . 38 PRO HG3 . 6458 1 251 . 1 1 38 38 PRO HD2 H 1 3.73 . . 2 . . . . 38 PRO HD2 . 6458 1 252 . 1 1 38 38 PRO HD3 H 1 3.87 . . 2 . . . . 38 PRO HD3 . 6458 1 253 . 1 1 39 39 ASP H H 1 8.51 . . 1 . . . . 39 ASP H . 6458 1 254 . 1 1 39 39 ASP HA H 1 4.38 . . 1 . . . . 39 ASP HA . 6458 1 255 . 1 1 39 39 ASP HB2 H 1 2.75 . . 2 . . . . 39 ASP HB2 . 6458 1 256 . 1 1 39 39 ASP HB3 H 1 2.66 . . 2 . . . . 39 ASP HB3 . 6458 1 257 . 1 1 40 40 GLU H H 1 7.80 . . 1 . . . . 40 GLU H . 6458 1 258 . 1 1 40 40 GLU HA H 1 4.43 . . 1 . . . . 40 GLU HA . 6458 1 259 . 1 1 40 40 GLU HB2 H 1 1.81 . . 2 . . . . 40 GLU HB2 . 6458 1 260 . 1 1 40 40 GLU HB3 H 1 1.83 . . 2 . . . . 40 GLU HB3 . 6458 1 261 . 1 1 40 40 GLU HG2 H 1 2.41 . . 2 . . . . 40 GLU HG2 . 6458 1 262 . 1 1 41 41 GLN H H 1 7.46 . . 1 . . . . 41 GLN H . 6458 1 263 . 1 1 41 41 GLN HA H 1 4.19 . . 1 . . . . 41 GLN HA . 6458 1 264 . 1 1 41 41 GLN HB2 H 1 1.88 . . 2 . . . . 41 GLN HB2 . 6458 1 265 . 1 1 41 41 GLN HB3 H 1 1.96 . . 2 . . . . 41 GLN HB3 . 6458 1 266 . 1 1 41 41 GLN HG2 H 1 2.08 . . 9 . . . . 41 GLN HG2 . 6458 1 267 . 1 1 41 41 GLN HG3 H 1 2.52 . . 9 . . . . 41 GLN HG3 . 6458 1 268 . 1 1 42 42 ARG H H 1 8.50 . . 1 . . . . 42 ARG H . 6458 1 269 . 1 1 42 42 ARG HA H 1 4.45 . . 1 . . . . 42 ARG HA . 6458 1 270 . 1 1 42 42 ARG HB2 H 1 1.67 . . 2 . . . . 42 ARG HB2 . 6458 1 271 . 1 1 42 42 ARG HG2 H 1 1.49 . . 2 . . . . 42 ARG HG2 . 6458 1 272 . 1 1 42 42 ARG HG3 H 1 1.61 . . 2 . . . . 42 ARG HG3 . 6458 1 273 . 1 1 42 42 ARG HD2 H 1 3.11 . . 2 . . . . 42 ARG HD2 . 6458 1 274 . 1 1 43 43 LEU H H 1 8.80 . . 1 . . . . 43 LEU H . 6458 1 275 . 1 1 43 43 LEU HA H 1 5.34 . . 1 . . . . 43 LEU HA . 6458 1 276 . 1 1 43 43 LEU HB2 H 1 1.54 . . 2 . . . . 43 LEU HB2 . 6458 1 277 . 1 1 43 43 LEU HG H 1 1.45 . . 1 . . . . 43 LEU HG . 6458 1 278 . 1 1 43 43 LEU HD11 H 1 0.75 . . 2 . . . . 43 LEU HD1 . 6458 1 279 . 1 1 43 43 LEU HD12 H 1 0.75 . . 2 . . . . 43 LEU HD1 . 6458 1 280 . 1 1 43 43 LEU HD13 H 1 0.75 . . 2 . . . . 43 LEU HD1 . 6458 1 281 . 1 1 43 43 LEU HD21 H 1 0.78 . . 2 . . . . 43 LEU HD2 . 6458 1 282 . 1 1 43 43 LEU HD22 H 1 0.78 . . 2 . . . . 43 LEU HD2 . 6458 1 283 . 1 1 43 43 LEU HD23 H 1 0.78 . . 2 . . . . 43 LEU HD2 . 6458 1 284 . 1 1 44 44 ILE H H 1 9.09 . . 1 . . . . 44 ILE H . 6458 1 285 . 1 1 44 44 ILE HA H 1 4.94 . . 1 . . . . 44 ILE HA . 6458 1 286 . 1 1 44 44 ILE HB H 1 1.71 . . 1 . . . . 44 ILE HB . 6458 1 287 . 1 1 44 44 ILE HG12 H 1 1.32 . . 2 . . . . 44 ILE HG12 . 6458 1 288 . 1 1 44 44 ILE HG13 H 1 1.03 . . 2 . . . . 44 ILE HG13 . 6458 1 289 . 1 1 44 44 ILE HG21 H 1 0.68 . . 1 . . . . 44 ILE HG2 . 6458 1 290 . 1 1 44 44 ILE HG22 H 1 0.68 . . 1 . . . . 44 ILE HG2 . 6458 1 291 . 1 1 44 44 ILE HG23 H 1 0.68 . . 1 . . . . 44 ILE HG2 . 6458 1 292 . 1 1 44 44 ILE HD11 H 1 0.64 . . 1 . . . . 44 ILE HD1 . 6458 1 293 . 1 1 44 44 ILE HD12 H 1 0.64 . . 1 . . . . 44 ILE HD1 . 6458 1 294 . 1 1 44 44 ILE HD13 H 1 0.64 . . 1 . . . . 44 ILE HD1 . 6458 1 295 . 1 1 45 45 PHE H H 1 8.84 . . 1 . . . . 45 PHE H . 6458 1 296 . 1 1 45 45 PHE HA H 1 5.13 . . 1 . . . . 45 PHE HA . 6458 1 297 . 1 1 45 45 PHE HB2 H 1 2.78 . . 2 . . . . 45 PHE HB2 . 6458 1 298 . 1 1 45 45 PHE HB3 H 1 2.99 . . 2 . . . . 45 PHE HB3 . 6458 1 299 . 1 1 45 45 PHE HD1 H 1 7.33 . . 3 . . . . 45 PHE HD1 . 6458 1 300 . 1 1 45 45 PHE HE1 H 1 7.51 . . 3 . . . . 45 PHE HE1 . 6458 1 301 . 1 1 45 45 PHE HZ H 1 7.44 . . 1 . . . . 45 PHE HZ . 6458 1 302 . 1 1 46 46 ALA H H 1 8.92 . . 1 . . . . 46 ALA H . 6458 1 303 . 1 1 46 46 ALA HA H 1 3.67 . . 1 . . . . 46 ALA HA . 6458 1 304 . 1 1 46 46 ALA HB1 H 1 0.85 . . 1 . . . . 46 ALA HB . 6458 1 305 . 1 1 46 46 ALA HB2 H 1 0.85 . . 1 . . . . 46 ALA HB . 6458 1 306 . 1 1 46 46 ALA HB3 H 1 0.85 . . 1 . . . . 46 ALA HB . 6458 1 307 . 1 1 47 47 GLY H H 1 8.09 . . 1 . . . . 47 GLY H . 6458 1 308 . 1 1 47 47 GLY HA2 H 1 4.07 . . 2 . . . . 47 GLY HA2 . 6458 1 309 . 1 1 47 47 GLY HA3 H 1 3.42 . . 2 . . . . 47 GLY HA3 . 6458 1 310 . 1 1 48 48 LYS H H 1 7.97 . . 1 . . . . 48 LYS H . 6458 1 311 . 1 1 48 48 LYS HA H 1 4.57 . . 1 . . . . 48 LYS HA . 6458 1 312 . 1 1 48 48 LYS HB2 H 1 1.88 . . 2 . . . . 48 LYS HB2 . 6458 1 313 . 1 1 48 48 LYS HG2 H 1 1.49 . . 2 . . . . 48 LYS HG2 . 6458 1 314 . 1 1 48 48 LYS HD2 H 1 1.82 . . 2 . . . . 48 LYS HD2 . 6458 1 315 . 1 1 48 48 LYS HE2 H 1 3.13 . . 2 . . . . 48 LYS HE2 . 6458 1 316 . 1 1 49 49 GLN H H 1 8.61 . . 1 . . . . 49 GLN H . 6458 1 317 . 1 1 49 49 GLN HA H 1 4.51 . . 1 . . . . 49 GLN HA . 6458 1 318 . 1 1 49 49 GLN HB2 H 1 1.97 . . 2 . . . . 49 GLN HB2 . 6458 1 319 . 1 1 49 49 GLN HB3 H 1 2.22 . . 2 . . . . 49 GLN HB3 . 6458 1 320 . 1 1 49 49 GLN HG2 H 1 2.50 . . 2 . . . . 49 GLN HG2 . 6458 1 321 . 1 1 49 49 GLN HG3 H 1 2.04 . . 2 . . . . 49 GLN HG3 . 6458 1 322 . 1 1 50 50 LEU H H 1 8.54 . . 1 . . . . 50 LEU H . 6458 1 323 . 1 1 50 50 LEU HA H 1 4.06 . . 1 . . . . 50 LEU HA . 6458 1 324 . 1 1 50 50 LEU HB2 H 1 1.47 . . 2 . . . . 50 LEU HB2 . 6458 1 325 . 1 1 50 50 LEU HB3 H 1 0.99 . . 2 . . . . 50 LEU HB3 . 6458 1 326 . 1 1 50 50 LEU HG H 1 1.45 . . 1 . . . . 50 LEU HG . 6458 1 327 . 1 1 50 50 LEU HD11 H 1 0.50 . . 2 . . . . 50 LEU HD1 . 6458 1 328 . 1 1 50 50 LEU HD12 H 1 0.50 . . 2 . . . . 50 LEU HD1 . 6458 1 329 . 1 1 50 50 LEU HD13 H 1 0.50 . . 2 . . . . 50 LEU HD1 . 6458 1 330 . 1 1 50 50 LEU HD21 H 1 -0.17 . . 2 . . . . 50 LEU HD2 . 6458 1 331 . 1 1 50 50 LEU HD22 H 1 -0.17 . . 2 . . . . 50 LEU HD2 . 6458 1 332 . 1 1 50 50 LEU HD23 H 1 -0.17 . . 2 . . . . 50 LEU HD2 . 6458 1 333 . 1 1 51 51 GLN H H 1 8.36 . . 1 . . . . 51 GLN H . 6458 1 334 . 1 1 51 51 GLN HA H 1 4.46 . . 1 . . . . 51 GLN HA . 6458 1 335 . 1 1 51 51 GLN HB2 H 1 1.95 . . 2 . . . . 51 GLN HB2 . 6458 1 336 . 1 1 52 52 ASP H H 1 8.14 . . 1 . . . . 52 ASP H . 6458 1 337 . 1 1 52 52 ASP HA H 1 4.35 . . 1 . . . . 52 ASP HA . 6458 1 338 . 1 1 52 52 ASP HB2 H 1 2.49 . . 2 . . . . 52 ASP HB2 . 6458 1 339 . 1 1 52 52 ASP HB3 H 1 2.61 . . 2 . . . . 52 ASP HB3 . 6458 1 340 . 1 1 53 53 GLY H H 1 9.66 . . 1 . . . . 53 GLY H . 6458 1 341 . 1 1 53 53 GLY HA2 H 1 4.04 . . 2 . . . . 53 GLY HA2 . 6458 1 342 . 1 1 55 55 THR H H 1 8.82 . . 1 . . . . 55 THR H . 6458 1 343 . 1 1 55 55 THR HA H 1 5.22 . . 1 . . . . 55 THR HA . 6458 1 344 . 1 1 55 55 THR HB H 1 4.51 . . 1 . . . . 55 THR HB . 6458 1 345 . 1 1 55 55 THR HG21 H 1 1.11 . . 1 . . . . 55 THR HG2 . 6458 1 346 . 1 1 55 55 THR HG22 H 1 1.11 . . 1 . . . . 55 THR HG2 . 6458 1 347 . 1 1 55 55 THR HG23 H 1 1.11 . . 1 . . . . 55 THR HG2 . 6458 1 348 . 1 1 56 56 LEU H H 1 8.14 . . 1 . . . . 56 LEU H . 6458 1 349 . 1 1 56 56 LEU HA H 1 4.03 . . 1 . . . . 56 LEU HA . 6458 1 350 . 1 1 56 56 LEU HB2 H 1 2.08 . . 2 . . . . 56 LEU HB2 . 6458 1 351 . 1 1 56 56 LEU HB3 H 1 1.19 . . 2 . . . . 56 LEU HB3 . 6458 1 352 . 1 1 56 56 LEU HG H 1 1.70 . . 1 . . . . 56 LEU HG . 6458 1 353 . 1 1 56 56 LEU HD11 H 1 0.73 . . 2 . . . . 56 LEU HD1 . 6458 1 354 . 1 1 56 56 LEU HD12 H 1 0.73 . . 2 . . . . 56 LEU HD1 . 6458 1 355 . 1 1 56 56 LEU HD13 H 1 0.73 . . 2 . . . . 56 LEU HD1 . 6458 1 356 . 1 1 56 56 LEU HD21 H 1 0.60 . . 2 . . . . 56 LEU HD2 . 6458 1 357 . 1 1 56 56 LEU HD22 H 1 0.60 . . 2 . . . . 56 LEU HD2 . 6458 1 358 . 1 1 56 56 LEU HD23 H 1 0.60 . . 2 . . . . 56 LEU HD2 . 6458 1 359 . 1 1 57 57 SER H H 1 8.45 . . 1 . . . . 57 SER H . 6458 1 360 . 1 1 57 57 SER HA H 1 4.22 . . 1 . . . . 57 SER HA . 6458 1 361 . 1 1 57 57 SER HB2 H 1 3.83 . . 2 . . . . 57 SER HB2 . 6458 1 362 . 1 1 57 57 SER HB3 H 1 3.73 . . 2 . . . . 57 SER HB3 . 6458 1 363 . 1 1 58 58 ASP H H 1 7.92 . . 1 . . . . 58 ASP H . 6458 1 364 . 1 1 58 58 ASP HA H 1 4.26 . . 1 . . . . 58 ASP HA . 6458 1 365 . 1 1 58 58 ASP HB2 H 1 2.95 . . 2 . . . . 58 ASP HB2 . 6458 1 366 . 1 1 58 58 ASP HB3 H 1 2.26 . . 2 . . . . 58 ASP HB3 . 6458 1 367 . 1 1 59 59 TYR H H 1 7.25 . . 1 . . . . 59 TYR H . 6458 1 368 . 1 1 59 59 TYR HA H 1 4.60 . . 1 . . . . 59 TYR HA . 6458 1 369 . 1 1 59 59 TYR HB2 H 1 2.51 . . 2 . . . . 59 TYR HB2 . 6458 1 370 . 1 1 59 59 TYR HB3 H 1 3.43 . . 2 . . . . 59 TYR HB3 . 6458 1 371 . 1 1 59 59 TYR HD1 H 1 7.27 . . 3 . . . . 59 TYR HD1 . 6458 1 372 . 1 1 59 59 TYR HE1 H 1 6.87 . . 3 . . . . 59 TYR HE1 . 6458 1 373 . 1 1 60 60 ASN H H 1 8.14 . . 1 . . . . 60 ASN H . 6458 1 374 . 1 1 60 60 ASN HA H 1 4.33 . . 1 . . . . 60 ASN HA . 6458 1 375 . 1 1 60 60 ASN HB2 H 1 3.28 . . 2 . . . . 60 ASN HB2 . 6458 1 376 . 1 1 60 60 ASN HB3 H 1 2.77 . . 2 . . . . 60 ASN HB3 . 6458 1 377 . 1 1 61 61 ILE H H 1 7.23 . . 1 . . . . 61 ILE H . 6458 1 378 . 1 1 61 61 ILE HA H 1 3.35 . . 1 . . . . 61 ILE HA . 6458 1 379 . 1 1 61 61 ILE HB H 1 1.37 . . 1 . . . . 61 ILE HB . 6458 1 380 . 1 1 61 61 ILE HG12 H 1 -0.37 . . 1 . . . . 61 ILE HG12 . 6458 1 381 . 1 1 61 61 ILE HG13 H 1 1.08 . . 2 . . . . 61 ILE HG13 . 6458 1 382 . 1 1 61 61 ILE HG21 H 1 0.48 . . 1 . . . . 61 ILE HG2 . 6458 1 383 . 1 1 61 61 ILE HG22 H 1 0.48 . . 1 . . . . 61 ILE HG2 . 6458 1 384 . 1 1 61 61 ILE HG23 H 1 0.48 . . 1 . . . . 61 ILE HG2 . 6458 1 385 . 1 1 61 61 ILE HD11 H 1 0.39 . . 1 . . . . 61 ILE HD1 . 6458 1 386 . 1 1 61 61 ILE HD12 H 1 0.39 . . 1 . . . . 61 ILE HD1 . 6458 1 387 . 1 1 61 61 ILE HD13 H 1 0.39 . . 1 . . . . 61 ILE HD1 . 6458 1 388 . 1 1 62 62 GLU H H 1 7.60 . . 1 . . . . 62 GLU H . 6458 1 389 . 1 1 62 62 GLU HA H 1 4.45 . . 1 . . . . 62 GLU HA . 6458 1 390 . 1 1 62 62 GLU HB2 H 1 1.88 . . 2 . . . . 62 GLU HB2 . 6458 1 391 . 1 1 62 62 GLU HG2 H 1 2.29 . . 2 . . . . 62 GLU HG2 . 6458 1 392 . 1 1 62 62 GLU HG3 H 1 2.35 . . 2 . . . . 62 GLU HG3 . 6458 1 393 . 1 1 63 63 LYS H H 1 8.44 . . 1 . . . . 63 LYS H . 6458 1 394 . 1 1 63 63 LYS HA H 1 3.94 . . 1 . . . . 63 LYS HA . 6458 1 395 . 1 1 63 63 LYS HB2 H 1 2.02 . . 2 . . . . 63 LYS HB2 . 6458 1 396 . 1 1 63 63 LYS HB3 H 1 1.87 . . 2 . . . . 63 LYS HB3 . 6458 1 397 . 1 1 63 63 LYS HG2 H 1 1.49 . . 2 . . . . 63 LYS HG2 . 6458 1 398 . 1 1 63 63 LYS HD2 H 1 1.71 . . 2 . . . . 63 LYS HD2 . 6458 1 399 . 1 1 63 63 LYS HE2 H 1 3.01 . . 2 . . . . 63 LYS HE2 . 6458 1 400 . 1 1 64 64 GLU H H 1 9.28 . . 1 . . . . 64 GLU H . 6458 1 401 . 1 1 64 64 GLU HA H 1 3.32 . . 1 . . . . 64 GLU HA . 6458 1 402 . 1 1 64 64 GLU HB2 H 1 2.39 . . 2 . . . . 64 GLU HB2 . 6458 1 403 . 1 1 64 64 GLU HB3 H 1 2.54 . . 2 . . . . 64 GLU HB3 . 6458 1 404 . 1 1 64 64 GLU HG2 H 1 2.24 . . 2 . . . . 64 GLU HG2 . 6458 1 405 . 1 1 65 65 SER H H 1 7.65 . . 1 . . . . 65 SER H . 6458 1 406 . 1 1 65 65 SER HA H 1 4.59 . . 1 . . . . 65 SER HA . 6458 1 407 . 1 1 65 65 SER HB2 H 1 3.61 . . 2 . . . . 65 SER HB2 . 6458 1 408 . 1 1 65 65 SER HB3 H 1 3.89 . . 2 . . . . 65 SER HB3 . 6458 1 409 . 1 1 66 66 THR H H 1 8.70 . . 1 . . . . 66 THR H . 6458 1 410 . 1 1 66 66 THR HA H 1 5.26 . . 1 . . . . 66 THR HA . 6458 1 411 . 1 1 66 66 THR HB H 1 4.05 . . 1 . . . . 66 THR HB . 6458 1 412 . 1 1 66 66 THR HG21 H 1 0.92 . . 1 . . . . 66 THR HG2 . 6458 1 413 . 1 1 66 66 THR HG22 H 1 0.92 . . 1 . . . . 66 THR HG2 . 6458 1 414 . 1 1 66 66 THR HG23 H 1 0.92 . . 1 . . . . 66 THR HG2 . 6458 1 415 . 1 1 67 67 LEU H H 1 9.39 . . 1 . . . . 67 LEU H . 6458 1 416 . 1 1 67 67 LEU HA H 1 5.06 . . 1 . . . . 67 LEU HA . 6458 1 417 . 1 1 67 67 LEU HB2 H 1 1.61 . . 2 . . . . 67 LEU HB2 . 6458 1 418 . 1 1 67 67 LEU HB3 H 1 1.60 . . 2 . . . . 67 LEU HB3 . 6458 1 419 . 1 1 67 67 LEU HG H 1 1.75 . . 1 . . . . 67 LEU HG . 6458 1 420 . 1 1 67 67 LEU HD11 H 1 0.68 . . 2 . . . . 67 LEU HD1 . 6458 1 421 . 1 1 67 67 LEU HD12 H 1 0.68 . . 2 . . . . 67 LEU HD1 . 6458 1 422 . 1 1 67 67 LEU HD13 H 1 0.68 . . 2 . . . . 67 LEU HD1 . 6458 1 423 . 1 1 67 67 LEU HD21 H 1 0.65 . . 2 . . . . 67 LEU HD2 . 6458 1 424 . 1 1 67 67 LEU HD22 H 1 0.65 . . 2 . . . . 67 LEU HD2 . 6458 1 425 . 1 1 67 67 LEU HD23 H 1 0.65 . . 2 . . . . 67 LEU HD2 . 6458 1 426 . 1 1 68 68 HIS H H 1 9.22 . . 1 . . . . 68 HIS H . 6458 1 427 . 1 1 68 68 HIS HA H 1 5.14 . . 1 . . . . 68 HIS HA . 6458 1 428 . 1 1 68 68 HIS HB2 H 1 2.89 . . 2 . . . . 68 HIS HB2 . 6458 1 429 . 1 1 68 68 HIS HD2 H 1 7.01 . . 1 . . . . 68 HIS HD2 . 6458 1 430 . 1 1 68 68 HIS HE1 H 1 8.01 . . 1 . . . . 68 HIS HE1 . 6458 1 431 . 1 1 69 69 LEU H H 1 8.30 . . 1 . . . . 69 LEU H . 6458 1 432 . 1 1 69 69 LEU HA H 1 5.16 . . 1 . . . . 69 LEU HA . 6458 1 433 . 1 1 69 69 LEU HB2 H 1 1.60 . . 2 . . . . 69 LEU HB2 . 6458 1 434 . 1 1 69 69 LEU HG H 1 1.31 . . 1 . . . . 69 LEU HG . 6458 1 435 . 1 1 69 69 LEU HD11 H 1 0.84 . . 2 . . . . 69 LEU HD1 . 6458 1 436 . 1 1 69 69 LEU HD12 H 1 0.84 . . 2 . . . . 69 LEU HD1 . 6458 1 437 . 1 1 69 69 LEU HD13 H 1 0.84 . . 2 . . . . 69 LEU HD1 . 6458 1 438 . 1 1 69 69 LEU HD21 H 1 0.73 . . 2 . . . . 69 LEU HD2 . 6458 1 439 . 1 1 69 69 LEU HD22 H 1 0.73 . . 2 . . . . 69 LEU HD2 . 6458 1 440 . 1 1 69 69 LEU HD23 H 1 0.73 . . 2 . . . . 69 LEU HD2 . 6458 1 441 . 1 1 70 70 VAL H H 1 9.16 . . 1 . . . . 70 VAL H . 6458 1 442 . 1 1 70 70 VAL HA H 1 4.34 . . 1 . . . . 70 VAL HA . 6458 1 443 . 1 1 70 70 VAL HB H 1 2.01 . . 1 . . . . 70 VAL HB . 6458 1 444 . 1 1 70 70 VAL HG11 H 1 0.91 . . 2 . . . . 70 VAL HG1 . 6458 1 445 . 1 1 70 70 VAL HG12 H 1 0.91 . . 2 . . . . 70 VAL HG1 . 6458 1 446 . 1 1 70 70 VAL HG13 H 1 0.91 . . 2 . . . . 70 VAL HG1 . 6458 1 447 . 1 1 70 70 VAL HG21 H 1 0.82 . . 2 . . . . 70 VAL HG2 . 6458 1 448 . 1 1 70 70 VAL HG22 H 1 0.82 . . 2 . . . . 70 VAL HG2 . 6458 1 449 . 1 1 70 70 VAL HG23 H 1 0.82 . . 2 . . . . 70 VAL HG2 . 6458 1 450 . 1 1 71 71 LEU H H 1 8.07 . . 1 . . . . 71 LEU H . 6458 1 451 . 1 1 71 71 LEU HA H 1 5.02 . . 1 . . . . 71 LEU HA . 6458 1 452 . 1 1 71 71 LEU HB2 H 1 1.65 . . 2 . . . . 71 LEU HB2 . 6458 1 453 . 1 1 71 71 LEU HB3 H 1 1.53 . . 2 . . . . 71 LEU HB3 . 6458 1 454 . 1 1 71 71 LEU HG H 1 1.64 . . 1 . . . . 71 LEU HG . 6458 1 455 . 1 1 71 71 LEU HD11 H 1 0.96 . . 2 . . . . 71 LEU HD1 . 6458 1 456 . 1 1 71 71 LEU HD12 H 1 0.96 . . 2 . . . . 71 LEU HD1 . 6458 1 457 . 1 1 71 71 LEU HD13 H 1 0.96 . . 2 . . . . 71 LEU HD1 . 6458 1 458 . 1 1 71 71 LEU HD21 H 1 0.86 . . 2 . . . . 71 LEU HD2 . 6458 1 459 . 1 1 71 71 LEU HD22 H 1 0.86 . . 2 . . . . 71 LEU HD2 . 6458 1 460 . 1 1 71 71 LEU HD23 H 1 0.86 . . 2 . . . . 71 LEU HD2 . 6458 1 461 . 1 1 72 72 ARG H H 1 8.58 . . 1 . . . . 72 ARG H . 6458 1 462 . 1 1 72 72 ARG HA H 1 4.25 . . 1 . . . . 72 ARG HA . 6458 1 463 . 1 1 72 72 ARG HB2 H 1 1.51 . . 2 . . . . 72 ARG HB2 . 6458 1 464 . 1 1 72 72 ARG HB3 H 1 1.75 . . 2 . . . . 72 ARG HB3 . 6458 1 465 . 1 1 72 72 ARG HG2 H 1 1.50 . . 2 . . . . 72 ARG HG2 . 6458 1 466 . 1 1 72 72 ARG HD2 H 1 3.13 . . 2 . . . . 72 ARG HD2 . 6458 1 467 . 1 1 73 73 LEU H H 1 8.30 . . 1 . . . . 73 LEU H . 6458 1 468 . 1 1 73 73 LEU HA H 1 4.36 . . 1 . . . . 73 LEU HA . 6458 1 469 . 1 1 73 73 LEU HB2 H 1 1.54 . . 2 . . . . 73 LEU HB2 . 6458 1 470 . 1 1 73 73 LEU HG H 1 1.63 . . 1 . . . . 73 LEU HG . 6458 1 471 . 1 1 73 73 LEU HD11 H 1 0.92 . . 2 . . . . 73 LEU HD1 . 6458 1 472 . 1 1 73 73 LEU HD12 H 1 0.92 . . 2 . . . . 73 LEU HD1 . 6458 1 473 . 1 1 73 73 LEU HD13 H 1 0.92 . . 2 . . . . 73 LEU HD1 . 6458 1 474 . 1 1 73 73 LEU HD21 H 1 0.87 . . 2 . . . . 73 LEU HD2 . 6458 1 475 . 1 1 73 73 LEU HD22 H 1 0.87 . . 2 . . . . 73 LEU HD2 . 6458 1 476 . 1 1 73 73 LEU HD23 H 1 0.87 . . 2 . . . . 73 LEU HD2 . 6458 1 477 . 1 1 74 74 ARG H H 1 8.39 . . 1 . . . . 74 ARG H . 6458 1 478 . 1 1 74 74 ARG HA H 1 4.27 . . 1 . . . . 74 ARG HA . 6458 1 479 . 1 1 74 74 ARG HB2 H 1 1.74 . . 2 . . . . 74 ARG HB2 . 6458 1 480 . 1 1 74 74 ARG HB3 H 1 1.85 . . 2 . . . . 74 ARG HB3 . 6458 1 481 . 1 1 74 74 ARG HG2 H 1 1.61 . . 2 . . . . 74 ARG HG2 . 6458 1 482 . 1 1 74 74 ARG HD2 H 1 3.19 . . 2 . . . . 74 ARG HD2 . 6458 1 483 . 1 1 75 75 GLY H H 1 8.44 . . 1 . . . . 75 GLY H . 6458 1 484 . 1 1 75 75 GLY HA2 H 1 3.92 . . 2 . . . . 75 GLY HA2 . 6458 1 485 . 1 1 75 75 GLY HA3 H 1 3.97 . . 2 . . . . 75 GLY HA3 . 6458 1 486 . 1 1 76 76 GLY H H 1 7.91 . . 1 . . . . 76 GLY H . 6458 1 487 . 1 1 76 76 GLY HA2 H 1 3.71 . . 2 . . . . 76 GLY HA2 . 6458 1 488 . 1 1 76 76 GLY HA3 H 1 3.79 . . 2 . . . . 76 GLY HA3 . 6458 1 stop_ save_