################################### # 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 6584 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 6584 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 2 2 GLY N N 15 109.484 0.1 . 1 . . . . . . . . 6584 1 2 . 1 1 2 2 GLY H H 1 8.440 0.02 . 1 . . . . . . . . 6584 1 3 . 1 1 2 2 GLY CA C 13 42.685 0.1 . 1 . . . . . . . . 6584 1 4 . 1 1 3 3 HIS N N 15 116.916 0.1 . 1 . . . . . . . . 6584 1 5 . 1 1 3 3 HIS H H 1 8.280 0.02 . 1 . . . . . . . . 6584 1 6 . 1 1 3 3 HIS CA C 13 53.035 0.1 . 1 . . . . . . . . 6584 1 7 . 1 1 3 3 HIS CB C 13 26.935 0.1 . 1 . . . . . . . . 6584 1 8 . 1 1 11 11 HIS N N 15 119.584 0.1 . 1 . . . . . . . . 6584 1 9 . 1 1 11 11 HIS H H 1 8.562 0.02 . 1 . . . . . . . . 6584 1 10 . 1 1 11 11 HIS CA C 13 53.207 0.1 . 1 . . . . . . . . 6584 1 11 . 1 1 11 11 HIS CB C 13 26.989 0.1 . 1 . . . . . . . . 6584 1 12 . 1 1 12 12 HIS N N 15 119.128 0.1 . 1 . . . . . . . . 6584 1 13 . 1 1 12 12 HIS H H 1 8.473 0.02 . 1 . . . . . . . . 6584 1 14 . 1 1 12 12 HIS CA C 13 53.144 0.1 . 1 . . . . . . . . 6584 1 15 . 1 1 12 12 HIS CB C 13 27.044 0.1 . 1 . . . . . . . . 6584 1 16 . 1 1 13 13 SER N N 15 117.153 0.1 . 1 . . . . . . . . 6584 1 17 . 1 1 13 13 SER H H 1 8.501 0.02 . 1 . . . . . . . . 6584 1 18 . 1 1 13 13 SER CA C 13 56.101 0.1 . 1 . . . . . . . . 6584 1 19 . 1 1 13 13 SER CB C 13 61.335 0.1 . 1 . . . . . . . . 6584 1 20 . 1 1 14 14 SER N N 15 117.266 0.1 . 1 . . . . . . . . 6584 1 21 . 1 1 14 14 SER H H 1 8.475 0.02 . 1 . . . . . . . . 6584 1 22 . 1 1 14 14 SER CA C 13 56.008 0.1 . 1 . . . . . . . . 6584 1 23 . 1 1 14 14 SER CB C 13 61.390 0.1 . 1 . . . . . . . . 6584 1 24 . 1 1 15 15 GLY N N 15 109.589 0.1 . 1 . . . . . . . . 6584 1 25 . 1 1 15 15 GLY H H 1 8.384 0.02 . 1 . . . . . . . . 6584 1 26 . 1 1 15 15 GLY CA C 13 42.755 0.1 . 1 . . . . . . . . 6584 1 27 . 1 1 16 16 HIS N N 15 118.367 0.1 . 1 . . . . . . . . 6584 1 28 . 1 1 16 16 HIS H H 1 8.206 0.02 . 1 . . . . . . . . 6584 1 29 . 1 1 16 16 HIS CA C 13 53.371 0.1 . 1 . . . . . . . . 6584 1 30 . 1 1 16 16 HIS CB C 13 27.044 0.1 . 1 . . . . . . . . 6584 1 31 . 1 1 17 17 ILE N N 15 122.086 0.1 . 1 . . . . . . . . 6584 1 32 . 1 1 17 17 ILE H H 1 8.118 0.02 . 1 . . . . . . . . 6584 1 33 . 1 1 17 17 ILE CA C 13 58.777 0.1 . 1 . . . . . . . . 6584 1 34 . 1 1 17 17 ILE CB C 13 35.617 0.1 . 1 . . . . . . . . 6584 1 35 . 1 1 18 18 GLU N N 15 123.964 0.1 . 1 . . . . . . . . 6584 1 36 . 1 1 18 18 GLU H H 1 8.567 0.02 . 1 . . . . . . . . 6584 1 37 . 1 1 18 18 GLU CA C 13 54.492 0.1 . 1 . . . . . . . . 6584 1 38 . 1 1 19 19 GLY N N 15 108.943 0.1 . 1 . . . . . . . . 6584 1 39 . 1 1 19 19 GLY H H 1 8.492 0.02 . 1 . . . . . . . . 6584 1 40 . 1 1 19 19 GLY CA C 13 43.612 0.1 . 1 . . . . . . . . 6584 1 41 . 1 1 20 20 ARG N N 15 120.618 0.1 . 1 . . . . . . . . 6584 1 42 . 1 1 20 20 ARG H H 1 8.288 0.02 . 1 . . . . . . . . 6584 1 43 . 1 1 20 20 ARG CA C 13 55.547 0.1 . 1 . . . . . . . . 6584 1 44 . 1 1 20 20 ARG CB C 13 27.426 0.1 . 1 . . . . . . . . 6584 1 45 . 1 1 21 21 HIS N N 15 117.159 0.1 . 1 . . . . . . . . 6584 1 46 . 1 1 21 21 HIS H H 1 8.303 0.02 . 1 . . . . . . . . 6584 1 47 . 1 1 21 21 HIS CA C 13 55.862 0.1 . 1 . . . . . . . . 6584 1 48 . 1 1 21 21 HIS CB C 13 26.880 0.1 . 1 . . . . . . . . 6584 1 49 . 1 1 22 22 MET N N 15 118.300 0.1 . 1 . . . . . . . . 6584 1 50 . 1 1 22 22 MET H H 1 8.052 0.02 . 1 . . . . . . . . 6584 1 51 . 1 1 22 22 MET CA C 13 55.415 0.1 . 1 . . . . . . . . 6584 1 52 . 1 1 22 22 MET CB C 13 29.010 0.1 . 1 . . . . . . . . 6584 1 53 . 1 1 23 23 ALA N N 15 123.660 0.1 . 1 . . . . . . . . 6584 1 54 . 1 1 23 23 ALA H H 1 8.264 0.02 . 1 . . . . . . . . 6584 1 55 . 1 1 23 23 ALA CA C 13 53.107 0.1 . 1 . . . . . . . . 6584 1 56 . 1 1 23 23 ALA CB C 13 16.895 0.1 . 1 . . . . . . . . 6584 1 57 . 1 1 24 24 LEU N N 15 116.466 0.1 . 1 . . . . . . . . 6584 1 58 . 1 1 24 24 LEU H H 1 8.241 0.02 . 1 . . . . . . . . 6584 1 59 . 1 1 24 24 LEU CA C 13 55.349 0.1 . 1 . . . . . . . . 6584 1 60 . 1 1 24 24 LEU CB C 13 39.311 0.1 . 1 . . . . . . . . 6584 1 61 . 1 1 25 25 LYS N N 15 116.616 0.1 . 1 . . . . . . . . 6584 1 62 . 1 1 25 25 LYS H H 1 7.675 0.02 . 1 . . . . . . . . 6584 1 63 . 1 1 25 25 LYS CA C 13 56.404 0.1 . 1 . . . . . . . . 6584 1 64 . 1 1 25 25 LYS CB C 13 29.487 0.1 . 1 . . . . . . . . 6584 1 65 . 1 1 26 26 ARG N N 15 120.285 0.1 . 1 . . . . . . . . 6584 1 66 . 1 1 26 26 ARG H H 1 7.550 0.02 . 1 . . . . . . . . 6584 1 67 . 1 1 26 26 ARG CA C 13 54.953 0.1 . 1 . . . . . . . . 6584 1 68 . 1 1 26 26 ARG CB C 13 25.860 0.1 . 1 . . . . . . . . 6584 1 69 . 1 1 27 27 ILE N N 15 121.319 0.1 . 1 . . . . . . . . 6584 1 70 . 1 1 27 27 ILE H H 1 8.695 0.02 . 1 . . . . . . . . 6584 1 71 . 1 1 27 27 ILE CA C 13 63.723 0.1 . 1 . . . . . . . . 6584 1 72 . 1 1 27 27 ILE CB C 13 35.355 0.1 . 1 . . . . . . . . 6584 1 73 . 1 1 28 28 GLN N N 15 116.449 0.1 . 1 . . . . . . . . 6584 1 74 . 1 1 28 28 GLN H H 1 8.450 0.02 . 1 . . . . . . . . 6584 1 75 . 1 1 28 28 GLN CA C 13 56.470 0.1 . 1 . . . . . . . . 6584 1 76 . 1 1 28 28 GLN CB C 13 25.860 0.1 . 1 . . . . . . . . 6584 1 77 . 1 1 29 29 LYS N N 15 121.335 0.1 . 1 . . . . . . . . 6584 1 78 . 1 1 29 29 LYS H H 1 7.688 0.02 . 1 . . . . . . . . 6584 1 79 . 1 1 29 29 LYS CA C 13 56.404 0.1 . 1 . . . . . . . . 6584 1 80 . 1 1 29 29 LYS CB C 13 29.289 0.1 . 1 . . . . . . . . 6584 1 81 . 1 1 30 30 GLU N N 15 118.540 0.1 . 1 . . . . . . . . 6584 1 82 . 1 1 30 30 GLU H H 1 8.481 0.02 . 1 . . . . . . . . 6584 1 83 . 1 1 30 30 GLU CA C 13 58.052 0.1 . 1 . . . . . . . . 6584 1 84 . 1 1 30 30 GLU CB C 13 26.981 0.1 . 1 . . . . . . . . 6584 1 85 . 1 1 31 31 LEU N N 15 119.418 0.1 . 1 . . . . . . . . 6584 1 86 . 1 1 31 31 LEU H H 1 8.699 0.02 . 1 . . . . . . . . 6584 1 87 . 1 1 31 31 LEU CA C 13 55.151 0.1 . 1 . . . . . . . . 6584 1 88 . 1 1 31 31 LEU CB C 13 38.454 0.1 . 1 . . . . . . . . 6584 1 89 . 1 1 32 32 SER N N 15 113.682 0.1 . 1 . . . . . . . . 6584 1 90 . 1 1 32 32 SER H H 1 8.135 0.02 . 1 . . . . . . . . 6584 1 91 . 1 1 32 32 SER CA C 13 58.777 0.1 . 1 . . . . . . . . 6584 1 92 . 1 1 32 32 SER CB C 13 60.279 0.1 . 1 . . . . . . . . 6584 1 93 . 1 1 33 33 ASP N N 15 121.136 0.1 . 1 . . . . . . . . 6584 1 94 . 1 1 33 33 ASP H H 1 8.395 0.02 . 1 . . . . . . . . 6584 1 95 . 1 1 33 33 ASP CA C 13 54.927 0.1 . 1 . . . . . . . . 6584 1 96 . 1 1 33 33 ASP CB C 13 37.597 0.1 . 1 . . . . . . . . 6584 1 97 . 1 1 34 34 LEU N N 15 121.118 0.1 . 1 . . . . . . . . 6584 1 98 . 1 1 34 34 LEU H H 1 8.121 0.02 . 1 . . . . . . . . 6584 1 99 . 1 1 34 34 LEU CA C 13 55.349 0.1 . 1 . . . . . . . . 6584 1 100 . 1 1 34 34 LEU CB C 13 39.377 0.1 . 1 . . . . . . . . 6584 1 101 . 1 1 35 35 GLN N N 15 113.913 0.1 . 1 . . . . . . . . 6584 1 102 . 1 1 35 35 GLN H H 1 7.948 0.02 . 1 . . . . . . . . 6584 1 103 . 1 1 35 35 GLN CA C 13 55.217 0.1 . 1 . . . . . . . . 6584 1 104 . 1 1 35 35 GLN CB C 13 25.530 0.1 . 1 . . . . . . . . 6584 1 105 . 1 1 36 36 ARG N N 15 117.138 0.1 . 1 . . . . . . . . 6584 1 106 . 1 1 36 36 ARG H H 1 7.554 0.02 . 1 . . . . . . . . 6584 1 107 . 1 1 36 36 ARG CA C 13 55.217 0.1 . 1 . . . . . . . . 6584 1 108 . 1 1 36 36 ARG CB C 13 28.234 0.1 . 1 . . . . . . . . 6584 1 109 . 1 1 37 37 ASP N N 15 115.849 0.1 . 1 . . . . . . . . 6584 1 110 . 1 1 37 37 ASP H H 1 7.616 0.02 . 1 . . . . . . . . 6584 1 111 . 1 1 37 37 ASP CA C 13 49.085 0.1 . 1 . . . . . . . . 6584 1 112 . 1 1 37 37 ASP CB C 13 38.784 0.1 . 1 . . . . . . . . 6584 1 113 . 1 1 41 41 HIS N N 15 110.491 0.1 . 1 . . . . . . . . 6584 1 114 . 1 1 41 41 HIS H H 1 8.278 0.02 . 1 . . . . . . . . 6584 1 115 . 1 1 41 41 HIS CA C 13 54.600 0.1 . 1 . . . . . . . . 6584 1 116 . 1 1 41 41 HIS CB C 13 26.454 0.1 . 1 . . . . . . . . 6584 1 117 . 1 1 43 43 SER N N 15 112.626 0.1 . 1 . . . . . . . . 6584 1 118 . 1 1 43 43 SER H H 1 8.462 0.02 . 1 . . . . . . . . 6584 1 119 . 1 1 43 43 SER CA C 13 54.623 0.1 . 1 . . . . . . . . 6584 1 120 . 1 1 43 43 SER CB C 13 63.115 0.1 . 1 . . . . . . . . 6584 1 121 . 1 1 44 44 ALA N N 15 120.885 0.1 . 1 . . . . . . . . 6584 1 122 . 1 1 44 44 ALA H H 1 8.218 0.02 . 1 . . . . . . . . 6584 1 123 . 1 1 44 44 ALA CA C 13 49.572 0.1 . 1 . . . . . . . . 6584 1 124 . 1 1 44 44 ALA CB C 13 20.321 0.1 . 1 . . . . . . . . 6584 1 125 . 1 1 45 45 GLY N N 15 102.848 0.1 . 1 . . . . . . . . 6584 1 126 . 1 1 45 45 GLY H H 1 8.017 0.02 . 1 . . . . . . . . 6584 1 127 . 1 1 45 45 GLY CA C 13 42.161 0.1 . 1 . . . . . . . . 6584 1 128 . 1 1 47 47 VAL N N 15 121.717 0.1 . 1 . . . . . . . . 6584 1 129 . 1 1 47 47 VAL H H 1 8.419 0.02 . 1 . . . . . . . . 6584 1 130 . 1 1 47 47 VAL CA C 13 60.162 0.1 . 1 . . . . . . . . 6584 1 131 . 1 1 47 47 VAL CB C 13 29.223 0.1 . 1 . . . . . . . . 6584 1 132 . 1 1 48 48 GLY N N 15 114.549 0.1 . 1 . . . . . . . . 6584 1 133 . 1 1 48 48 GLY H H 1 8.671 0.02 . 1 . . . . . . . . 6584 1 134 . 1 1 48 48 GLY CA C 13 43.480 0.1 . 1 . . . . . . . . 6584 1 135 . 1 1 49 49 ASP N N 15 122.152 0.1 . 1 . . . . . . . . 6584 1 136 . 1 1 49 49 ASP H H 1 8.481 0.02 . 1 . . . . . . . . 6584 1 137 . 1 1 49 49 ASP CA C 13 51.381 0.1 . 1 . . . . . . . . 6584 1 138 . 1 1 49 49 ASP CB C 13 38.388 0.1 . 1 . . . . . . . . 6584 1 139 . 1 1 50 50 ASP N N 15 118.531 0.1 . 1 . . . . . . . . 6584 1 140 . 1 1 50 50 ASP H H 1 7.848 0.02 . 1 . . . . . . . . 6584 1 141 . 1 1 50 50 ASP CA C 13 50.008 0.1 . 1 . . . . . . . . 6584 1 142 . 1 1 50 50 ASP CB C 13 38.520 0.1 . 1 . . . . . . . . 6584 1 143 . 1 1 51 51 LEU N N 15 124.041 0.1 . 1 . . . . . . . . 6584 1 144 . 1 1 51 51 LEU H H 1 8.569 0.02 . 1 . . . . . . . . 6584 1 145 . 1 1 51 51 LEU CA C 13 54.518 0.1 . 1 . . . . . . . . 6584 1 146 . 1 1 51 51 LEU CB C 13 32.897 0.1 . 1 . . . . . . . . 6584 1 147 . 1 1 52 52 PHE N N 15 110.714 0.1 . 1 . . . . . . . . 6584 1 148 . 1 1 52 52 PHE H H 1 8.202 0.02 . 1 . . . . . . . . 6584 1 149 . 1 1 52 52 PHE CA C 13 57.393 0.1 . 1 . . . . . . . . 6584 1 150 . 1 1 52 52 PHE CB C 13 35.553 0.1 . 1 . . . . . . . . 6584 1 151 . 1 1 53 53 HIS N N 15 119.021 0.1 . 1 . . . . . . . . 6584 1 152 . 1 1 53 53 HIS H H 1 7.841 0.02 . 1 . . . . . . . . 6584 1 153 . 1 1 53 53 HIS CA C 13 52.089 0.1 . 1 . . . . . . . . 6584 1 154 . 1 1 53 53 HIS CB C 13 28.893 0.1 . 1 . . . . . . . . 6584 1 155 . 1 1 54 54 TRP N N 15 122.136 0.1 . 1 . . . . . . . . 6584 1 156 . 1 1 54 54 TRP H H 1 9.583 0.02 . 1 . . . . . . . . 6584 1 157 . 1 1 54 54 TRP CA C 13 51.312 0.1 . 1 . . . . . . . . 6584 1 158 . 1 1 54 54 TRP CB C 13 30.344 0.1 . 1 . . . . . . . . 6584 1 159 . 1 1 55 55 GLN N N 15 117.983 0.1 . 1 . . . . . . . . 6584 1 160 . 1 1 55 55 GLN H H 1 8.747 0.02 . 1 . . . . . . . . 6584 1 161 . 1 1 55 55 GLN CA C 13 51.063 0.1 . 1 . . . . . . . . 6584 1 162 . 1 1 55 55 GLN CB C 13 28.432 0.1 . 1 . . . . . . . . 6584 1 163 . 1 1 56 56 ALA N N 15 122.803 0.1 . 1 . . . . . . . . 6584 1 164 . 1 1 56 56 ALA H H 1 8.639 0.02 . 1 . . . . . . . . 6584 1 165 . 1 1 56 56 ALA CA C 13 47.766 0.1 . 1 . . . . . . . . 6584 1 166 . 1 1 56 56 ALA CB C 13 20.717 0.1 . 1 . . . . . . . . 6584 1 167 . 1 1 57 57 THR N N 15 114.222 0.1 . 1 . . . . . . . . 6584 1 168 . 1 1 57 57 THR H H 1 8.915 0.02 . 1 . . . . . . . . 6584 1 169 . 1 1 57 57 THR CA C 13 58.118 0.1 . 1 . . . . . . . . 6584 1 170 . 1 1 57 57 THR CB C 13 69.181 0.1 . 1 . . . . . . . . 6584 1 171 . 1 1 60 60 GLY N N 15 108.273 0.1 . 1 . . . . . . . . 6584 1 172 . 1 1 60 60 GLY H H 1 9.012 0.02 . 1 . . . . . . . . 6584 1 173 . 1 1 60 60 GLY CA C 13 41.553 0.1 . 1 . . . . . . . . 6584 1 174 . 1 1 63 63 ASP N N 15 115.090 0.1 . 1 . . . . . . . . 6584 1 175 . 1 1 63 63 ASP H H 1 8.638 0.02 . 1 . . . . . . . . 6584 1 176 . 1 1 63 63 ASP CA C 13 52.235 0.1 . 1 . . . . . . . . 6584 1 177 . 1 1 63 63 ASP CB C 13 36.938 0.1 . 1 . . . . . . . . 6584 1 178 . 1 1 64 64 SER N N 15 113.148 0.1 . 1 . . . . . . . . 6584 1 179 . 1 1 64 64 SER H H 1 7.797 0.02 . 1 . . . . . . . . 6584 1 180 . 1 1 64 64 SER CA C 13 55.004 0.1 . 1 . . . . . . . . 6584 1 181 . 1 1 64 64 SER CB C 13 66.016 0.1 . 1 . . . . . . . . 6584 1 182 . 1 1 65 65 ALA N N 15 122.649 0.1 . 1 . . . . . . . . 6584 1 183 . 1 1 65 65 ALA H H 1 9.149 0.02 . 1 . . . . . . . . 6584 1 184 . 1 1 65 65 ALA CA C 13 50.916 0.1 . 1 . . . . . . . . 6584 1 185 . 1 1 65 65 ALA CB C 13 16.299 0.1 . 1 . . . . . . . . 6584 1 186 . 1 1 66 66 TYR N N 15 113.558 0.1 . 1 . . . . . . . . 6584 1 187 . 1 1 66 66 TYR H H 1 7.377 0.02 . 1 . . . . . . . . 6584 1 188 . 1 1 66 66 TYR CA C 13 53.290 0.1 . 1 . . . . . . . . 6584 1 189 . 1 1 66 66 TYR CB C 13 36.080 0.1 . 1 . . . . . . . . 6584 1 190 . 1 1 67 67 GLN N N 15 120.240 0.1 . 1 . . . . . . . . 6584 1 191 . 1 1 67 67 GLN H H 1 7.103 0.02 . 1 . . . . . . . . 6584 1 192 . 1 1 67 67 GLN CA C 13 54.872 0.1 . 1 . . . . . . . . 6584 1 193 . 1 1 67 67 GLN CB C 13 25.794 0.1 . 1 . . . . . . . . 6584 1 194 . 1 1 68 68 GLY N N 15 114.443 0.1 . 1 . . . . . . . . 6584 1 195 . 1 1 68 68 GLY H H 1 9.054 0.02 . 1 . . . . . . . . 6584 1 196 . 1 1 68 68 GLY CA C 13 42.410 0.1 . 1 . . . . . . . . 6584 1 197 . 1 1 69 69 GLY N N 15 105.481 0.1 . 1 . . . . . . . . 6584 1 198 . 1 1 69 69 GLY H H 1 8.290 0.02 . 1 . . . . . . . . 6584 1 199 . 1 1 69 69 GLY CA C 13 42.293 0.1 . 1 . . . . . . . . 6584 1 200 . 1 1 70 70 VAL N N 15 124.470 0.1 . 1 . . . . . . . . 6584 1 201 . 1 1 70 70 VAL H H 1 8.793 0.02 . 1 . . . . . . . . 6584 1 202 . 1 1 70 70 VAL CA C 13 59.766 0.1 . 1 . . . . . . . . 6584 1 203 . 1 1 70 70 VAL CB C 13 30.344 0.1 . 1 . . . . . . . . 6584 1 204 . 1 1 71 71 PHE N N 15 123.903 0.1 . 1 . . . . . . . . 6584 1 205 . 1 1 71 71 PHE H H 1 8.902 0.02 . 1 . . . . . . . . 6584 1 206 . 1 1 71 71 PHE CA C 13 53.964 0.1 . 1 . . . . . . . . 6584 1 207 . 1 1 71 71 PHE CB C 13 38.520 0.1 . 1 . . . . . . . . 6584 1 208 . 1 1 72 72 LYS N N 15 120.818 0.1 . 1 . . . . . . . . 6584 1 209 . 1 1 72 72 LYS H H 1 9.115 0.02 . 1 . . . . . . . . 6584 1 210 . 1 1 72 72 LYS CA C 13 52.433 0.1 . 1 . . . . . . . . 6584 1 211 . 1 1 72 72 LYS CB C 13 30.608 0.1 . 1 . . . . . . . . 6584 1 212 . 1 1 73 73 LEU N N 15 119.817 0.1 . 1 . . . . . . . . 6584 1 213 . 1 1 73 73 LEU H H 1 8.901 0.02 . 1 . . . . . . . . 6584 1 214 . 1 1 73 73 LEU CA C 13 52.235 0.1 . 1 . . . . . . . . 6584 1 215 . 1 1 73 73 LEU CB C 13 42.806 0.1 . 1 . . . . . . . . 6584 1 216 . 1 1 74 74 THR N N 15 112.610 0.1 . 1 . . . . . . . . 6584 1 217 . 1 1 74 74 THR H H 1 9.029 0.02 . 1 . . . . . . . . 6584 1 218 . 1 1 74 74 THR CA C 13 57.459 0.1 . 1 . . . . . . . . 6584 1 219 . 1 1 74 74 THR CB C 13 68.521 0.1 . 1 . . . . . . . . 6584 1 220 . 1 1 75 75 VAL N N 15 120.675 0.1 . 1 . . . . . . . . 6584 1 221 . 1 1 75 75 VAL H H 1 8.047 0.02 . 1 . . . . . . . . 6584 1 222 . 1 1 75 75 VAL CA C 13 57.591 0.1 . 1 . . . . . . . . 6584 1 223 . 1 1 75 75 VAL CB C 13 31.663 0.1 . 1 . . . . . . . . 6584 1 224 . 1 1 76 76 HIS N N 15 124.770 0.1 . 1 . . . . . . . . 6584 1 225 . 1 1 76 76 HIS H H 1 8.863 0.02 . 1 . . . . . . . . 6584 1 226 . 1 1 76 76 HIS CA C 13 50.850 0.1 . 1 . . . . . . . . 6584 1 227 . 1 1 76 76 HIS CB C 13 29.157 0.1 . 1 . . . . . . . . 6584 1 228 . 1 1 77 77 PHE N N 15 126.004 0.1 . 1 . . . . . . . . 6584 1 229 . 1 1 77 77 PHE H H 1 8.905 0.02 . 1 . . . . . . . . 6584 1 230 . 1 1 77 77 PHE CA C 13 53.620 0.1 . 1 . . . . . . . . 6584 1 231 . 1 1 77 77 PHE CB C 13 37.531 0.1 . 1 . . . . . . . . 6584 1 232 . 1 1 79 79 THR N N 15 110.073 0.1 . 1 . . . . . . . . 6584 1 233 . 1 1 79 79 THR H H 1 8.417 0.02 . 1 . . . . . . . . 6584 1 234 . 1 1 79 79 THR CA C 13 62.323 0.1 . 1 . . . . . . . . 6584 1 235 . 1 1 79 79 THR CB C 13 66.016 0.1 . 1 . . . . . . . . 6584 1 236 . 1 1 80 80 ASP N N 15 112.783 0.1 . 1 . . . . . . . . 6584 1 237 . 1 1 80 80 ASP H H 1 8.087 0.02 . 1 . . . . . . . . 6584 1 238 . 1 1 80 80 ASP CA C 13 49.268 0.1 . 1 . . . . . . . . 6584 1 239 . 1 1 80 80 ASP CB C 13 36.146 0.1 . 1 . . . . . . . . 6584 1 240 . 1 1 81 81 TYR N N 15 123.243 0.1 . 1 . . . . . . . . 6584 1 241 . 1 1 81 81 TYR H H 1 7.514 0.02 . 1 . . . . . . . . 6584 1 242 . 1 1 81 81 TYR CA C 13 55.466 0.1 . 1 . . . . . . . . 6584 1 243 . 1 1 81 81 TYR CB C 13 37.333 0.1 . 1 . . . . . . . . 6584 1 244 . 1 1 83 83 SER N N 15 120.818 0.1 . 1 . . . . . . . . 6584 1 245 . 1 1 83 83 SER H H 1 8.996 0.02 . 1 . . . . . . . . 6584 1 246 . 1 1 83 83 SER CA C 13 59.173 0.1 . 1 . . . . . . . . 6584 1 247 . 1 1 83 83 SER CB C 13 60.675 0.1 . 1 . . . . . . . . 6584 1 248 . 1 1 84 84 LYS N N 15 118.116 0.1 . 1 . . . . . . . . 6584 1 249 . 1 1 84 84 LYS H H 1 6.798 0.02 . 1 . . . . . . . . 6584 1 250 . 1 1 84 84 LYS CA C 13 49.334 0.1 . 1 . . . . . . . . 6584 1 251 . 1 1 84 84 LYS CB C 13 31.794 0.1 . 1 . . . . . . . . 6584 1 252 . 1 1 87 87 LYS N N 15 119.401 0.1 . 1 . . . . . . . . 6584 1 253 . 1 1 87 87 LYS CA C 13 52.433 0.1 . 1 . . . . . . . . 6584 1 254 . 1 1 87 87 LYS CB C 13 30.080 0.1 . 1 . . . . . . . . 6584 1 255 . 1 1 88 88 ILE N N 15 127.388 0.1 . 1 . . . . . . . . 6584 1 256 . 1 1 88 88 ILE H H 1 8.720 0.02 . 1 . . . . . . . . 6584 1 257 . 1 1 88 88 ILE CA C 13 56.799 0.1 . 1 . . . . . . . . 6584 1 258 . 1 1 88 88 ILE CB C 13 37.333 0.1 . 1 . . . . . . . . 6584 1 259 . 1 1 89 89 ALA N N 15 126.538 0.1 . 1 . . . . . . . . 6584 1 260 . 1 1 89 89 ALA H H 1 8.101 0.02 . 1 . . . . . . . . 6584 1 261 . 1 1 89 89 ALA CA C 13 52.103 0.1 . 1 . . . . . . . . 6584 1 262 . 1 1 89 89 ALA CB C 13 19.530 0.1 . 1 . . . . . . . . 6584 1 263 . 1 1 90 90 PHE N N 15 121.218 0.1 . 1 . . . . . . . . 6584 1 264 . 1 1 90 90 PHE H H 1 9.669 0.02 . 1 . . . . . . . . 6584 1 265 . 1 1 90 90 PHE CB C 13 37.399 0.1 . 1 . . . . . . . . 6584 1 266 . 1 1 91 91 THR N N 15 115.766 0.1 . 1 . . . . . . . . 6584 1 267 . 1 1 91 91 THR H H 1 9.410 0.02 . 1 . . . . . . . . 6584 1 268 . 1 1 91 91 THR CA C 13 60.477 0.1 . 1 . . . . . . . . 6584 1 269 . 1 1 91 91 THR CB C 13 65.752 0.1 . 1 . . . . . . . . 6584 1 270 . 1 1 92 92 THR N N 15 120.601 0.1 . 1 . . . . . . . . 6584 1 271 . 1 1 92 92 THR H H 1 7.360 0.02 . 1 . . . . . . . . 6584 1 272 . 1 1 92 92 THR CA C 13 60.741 0.1 . 1 . . . . . . . . 6584 1 273 . 1 1 92 92 THR CB C 13 68.324 0.1 . 1 . . . . . . . . 6584 1 274 . 1 1 93 93 LYS N N 15 127.455 0.1 . 1 . . . . . . . . 6584 1 275 . 1 1 93 93 LYS H H 1 8.424 0.02 . 1 . . . . . . . . 6584 1 276 . 1 1 93 93 LYS CA C 13 55.070 0.1 . 1 . . . . . . . . 6584 1 277 . 1 1 93 93 LYS CB C 13 30.080 0.1 . 1 . . . . . . . . 6584 1 278 . 1 1 94 94 ILE N N 15 119.085 0.1 . 1 . . . . . . . . 6584 1 279 . 1 1 94 94 ILE H H 1 8.259 0.02 . 1 . . . . . . . . 6584 1 280 . 1 1 94 94 ILE CA C 13 57.840 0.1 . 1 . . . . . . . . 6584 1 281 . 1 1 94 94 ILE CB C 13 38.256 0.1 . 1 . . . . . . . . 6584 1 282 . 1 1 95 95 TYR N N 15 100.093 0.1 . 1 . . . . . . . . 6584 1 283 . 1 1 95 95 TYR H H 1 8.583 0.02 . 1 . . . . . . . . 6584 1 284 . 1 1 95 95 TYR CA C 13 55.004 0.1 . 1 . . . . . . . . 6584 1 285 . 1 1 95 95 TYR CB C 13 35.223 0.1 . 1 . . . . . . . . 6584 1 286 . 1 1 96 96 HIS N N 15 128.939 0.1 . 1 . . . . . . . . 6584 1 287 . 1 1 96 96 HIS H H 1 8.483 0.02 . 1 . . . . . . . . 6584 1 288 . 1 1 96 96 HIS CA C 13 53.356 0.1 . 1 . . . . . . . . 6584 1 289 . 1 1 96 96 HIS CB C 13 32.783 0.1 . 1 . . . . . . . . 6584 1 290 . 1 1 98 98 ASN N N 15 117.492 0.1 . 1 . . . . . . . . 6584 1 291 . 1 1 98 98 ASN H H 1 11.386 0.02 . 1 . . . . . . . . 6584 1 292 . 1 1 98 98 ASN CA C 13 51.773 0.1 . 1 . . . . . . . . 6584 1 293 . 1 1 98 98 ASN CB C 13 39.179 0.1 . 1 . . . . . . . . 6584 1 294 . 1 1 99 99 ILE N N 15 119.084 0.1 . 1 . . . . . . . . 6584 1 295 . 1 1 99 99 ILE H H 1 6.996 0.02 . 1 . . . . . . . . 6584 1 296 . 1 1 99 99 ILE CA C 13 57.246 0.1 . 1 . . . . . . . . 6584 1 297 . 1 1 99 99 ILE CB C 13 39.179 0.1 . 1 . . . . . . . . 6584 1 298 . 1 1 100 100 ASN N N 15 120.301 0.1 . 1 . . . . . . . . 6584 1 299 . 1 1 100 100 ASN H H 1 7.833 0.02 . 1 . . . . . . . . 6584 1 300 . 1 1 100 100 ASN CA C 13 48.147 0.1 . 1 . . . . . . . . 6584 1 301 . 1 1 100 100 ASN CB C 13 37.201 0.1 . 1 . . . . . . . . 6584 1 302 . 1 1 101 101 SER N N 15 112.827 0.1 . 1 . . . . . . . . 6584 1 303 . 1 1 101 101 SER H H 1 8.567 0.02 . 1 . . . . . . . . 6584 1 304 . 1 1 101 101 SER CA C 13 58.235 0.1 . 1 . . . . . . . . 6584 1 305 . 1 1 101 101 SER CB C 13 60.411 0.1 . 1 . . . . . . . . 6584 1 306 . 1 1 102 102 ASN N N 15 117.717 0.1 . 1 . . . . . . . . 6584 1 307 . 1 1 102 102 ASN H H 1 7.497 0.02 . 1 . . . . . . . . 6584 1 308 . 1 1 102 102 ASN CA C 13 50.718 0.1 . 1 . . . . . . . . 6584 1 309 . 1 1 102 102 ASN CB C 13 36.278 0.1 . 1 . . . . . . . . 6584 1 310 . 1 1 103 103 GLY N N 15 109.184 0.1 . 1 . . . . . . . . 6584 1 311 . 1 1 103 103 GLY H H 1 8.334 0.02 . 1 . . . . . . . . 6584 1 312 . 1 1 103 103 GLY CA C 13 43.282 0.1 . 1 . . . . . . . . 6584 1 313 . 1 1 104 104 SER N N 15 114.546 0.1 . 1 . . . . . . . . 6584 1 314 . 1 1 104 104 SER H H 1 7.648 0.02 . 1 . . . . . . . . 6584 1 315 . 1 1 104 104 SER CA C 13 56.323 0.1 . 1 . . . . . . . . 6584 1 316 . 1 1 104 104 SER CB C 13 60.675 0.1 . 1 . . . . . . . . 6584 1 317 . 1 1 105 105 ILE N N 15 119.348 0.1 . 1 . . . . . . . . 6584 1 318 . 1 1 105 105 ILE H H 1 8.451 0.02 . 1 . . . . . . . . 6584 1 319 . 1 1 105 105 ILE CA C 13 56.851 0.1 . 1 . . . . . . . . 6584 1 320 . 1 1 105 105 ILE CB C 13 38.850 0.1 . 1 . . . . . . . . 6584 1 321 . 1 1 106 106 CYS N N 15 126.605 0.1 . 1 . . . . . . . . 6584 1 322 . 1 1 106 106 CYS H H 1 8.555 0.02 . 1 . . . . . . . . 6584 1 323 . 1 1 106 106 CYS CA C 13 54.807 0.1 . 1 . . . . . . . . 6584 1 324 . 1 1 106 106 CYS CB C 13 23.816 0.1 . 1 . . . . . . . . 6584 1 325 . 1 1 107 107 LEU N N 15 125.854 0.1 . 1 . . . . . . . . 6584 1 326 . 1 1 107 107 LEU H H 1 7.217 0.02 . 1 . . . . . . . . 6584 1 327 . 1 1 107 107 LEU CA C 13 51.246 0.1 . 1 . . . . . . . . 6584 1 328 . 1 1 107 107 LEU CB C 13 43.136 0.1 . 1 . . . . . . . . 6584 1 329 . 1 1 108 108 ASP N N 15 128.239 0.1 . 1 . . . . . . . . 6584 1 330 . 1 1 108 108 ASP H H 1 9.192 0.02 . 1 . . . . . . . . 6584 1 331 . 1 1 108 108 ASP CA C 13 55.862 0.1 . 1 . . . . . . . . 6584 1 332 . 1 1 108 108 ASP CB C 13 36.740 0.1 . 1 . . . . . . . . 6584 1 333 . 1 1 109 109 ILE N N 15 115.316 0.1 . 1 . . . . . . . . 6584 1 334 . 1 1 109 109 ILE H H 1 8.256 0.02 . 1 . . . . . . . . 6584 1 335 . 1 1 109 109 ILE CA C 13 61.679 0.1 . 1 . . . . . . . . 6584 1 336 . 1 1 109 109 ILE CB C 13 35.091 0.1 . 1 . . . . . . . . 6584 1 337 . 1 1 110 110 LEU N N 15 112.707 0.1 . 1 . . . . . . . . 6584 1 338 . 1 1 110 110 LEU H H 1 7.082 0.02 . 1 . . . . . . . . 6584 1 339 . 1 1 110 110 LEU CA C 13 51.444 0.1 . 1 . . . . . . . . 6584 1 340 . 1 1 110 110 LEU CB C 13 39.048 0.1 . 1 . . . . . . . . 6584 1 341 . 1 1 111 111 ARG N N 15 120.535 0.1 . 1 . . . . . . . . 6584 1 342 . 1 1 111 111 ARG H H 1 7.792 0.02 . 1 . . . . . . . . 6584 1 343 . 1 1 111 111 ARG CA C 13 53.568 0.1 . 1 . . . . . . . . 6584 1 344 . 1 1 111 111 ARG CB C 13 28.300 0.1 . 1 . . . . . . . . 6584 1 345 . 1 1 112 112 SER N N 15 116.835 0.1 . 1 . . . . . . . . 6584 1 346 . 1 1 112 112 SER H H 1 8.187 0.02 . 1 . . . . . . . . 6584 1 347 . 1 1 112 112 SER CA C 13 58.499 0.1 . 1 . . . . . . . . 6584 1 348 . 1 1 112 112 SER CB C 13 60.873 0.1 . 1 . . . . . . . . 6584 1 349 . 1 1 113 113 GLN N N 15 116.414 0.1 . 1 . . . . . . . . 6584 1 350 . 1 1 113 113 GLN H H 1 7.749 0.02 . 1 . . . . . . . . 6584 1 351 . 1 1 113 113 GLN CA C 13 51.707 0.1 . 1 . . . . . . . . 6584 1 352 . 1 1 113 113 GLN CB C 13 25.464 0.1 . 1 . . . . . . . . 6584 1 353 . 1 1 114 114 TRP N N 15 120.177 0.1 . 1 . . . . . . . . 6584 1 354 . 1 1 114 114 TRP H H 1 7.283 0.02 . 1 . . . . . . . . 6584 1 355 . 1 1 114 114 TRP CA C 13 56.521 0.1 . 1 . . . . . . . . 6584 1 356 . 1 1 114 114 TRP CB C 13 27.443 0.1 . 1 . . . . . . . . 6584 1 357 . 1 1 115 115 SER N N 15 119.798 0.1 . 1 . . . . . . . . 6584 1 358 . 1 1 115 115 SER H H 1 5.477 0.02 . 1 . . . . . . . . 6584 1 359 . 1 1 115 115 SER CA C 13 51.707 0.1 . 1 . . . . . . . . 6584 1 360 . 1 1 115 115 SER CB C 13 62.521 0.1 . 1 . . . . . . . . 6584 1 361 . 1 1 117 117 ALA N N 15 117.497 0.1 . 1 . . . . . . . . 6584 1 362 . 1 1 117 117 ALA H H 1 7.148 0.02 . 1 . . . . . . . . 6584 1 363 . 1 1 117 117 ALA CA C 13 50.059 0.1 . 1 . . . . . . . . 6584 1 364 . 1 1 117 117 ALA CB C 13 16.233 0.1 . 1 . . . . . . . . 6584 1 365 . 1 1 118 118 LEU N N 15 118.524 0.1 . 1 . . . . . . . . 6584 1 366 . 1 1 118 118 LEU H H 1 7.267 0.02 . 1 . . . . . . . . 6584 1 367 . 1 1 118 118 LEU CA C 13 52.103 0.1 . 1 . . . . . . . . 6584 1 368 . 1 1 118 118 LEU CB C 13 39.509 0.1 . 1 . . . . . . . . 6584 1 369 . 1 1 119 119 THR N N 15 101.236 0.1 . 1 . . . . . . . . 6584 1 370 . 1 1 119 119 THR H H 1 6.061 0.02 . 1 . . . . . . . . 6584 1 371 . 1 1 119 119 THR CA C 13 55.334 0.1 . 1 . . . . . . . . 6584 1 372 . 1 1 119 119 THR CB C 13 69.972 0.1 . 1 . . . . . . . . 6584 1 373 . 1 1 120 120 VAL N N 15 122.336 0.1 . 1 . . . . . . . . 6584 1 374 . 1 1 120 120 VAL H H 1 10.180 0.02 . 1 . . . . . . . . 6584 1 375 . 1 1 120 120 VAL CA C 13 64.763 0.1 . 1 . . . . . . . . 6584 1 376 . 1 1 120 120 VAL CB C 13 28.102 0.1 . 1 . . . . . . . . 6584 1 377 . 1 1 122 122 LYS N N 15 118.617 0.1 . 1 . . . . . . . . 6584 1 378 . 1 1 122 122 LYS H H 1 7.572 0.02 . 1 . . . . . . . . 6584 1 379 . 1 1 122 122 LYS CA C 13 56.437 0.1 . 1 . . . . . . . . 6584 1 380 . 1 1 122 122 LYS CB C 13 29.750 0.1 . 1 . . . . . . . . 6584 1 381 . 1 1 123 123 VAL N N 15 121.019 0.1 . 1 . . . . . . . . 6584 1 382 . 1 1 123 123 VAL H H 1 8.426 0.02 . 1 . . . . . . . . 6584 1 383 . 1 1 123 123 VAL CA C 13 64.200 0.1 . 1 . . . . . . . . 6584 1 384 . 1 1 123 123 VAL CB C 13 28.564 0.1 . 1 . . . . . . . . 6584 1 385 . 1 1 124 124 LEU N N 15 118.534 0.1 . 1 . . . . . . . . 6584 1 386 . 1 1 124 124 LEU H H 1 8.813 0.02 . 1 . . . . . . . . 6584 1 387 . 1 1 124 124 LEU CA C 13 55.678 0.1 . 1 . . . . . . . . 6584 1 388 . 1 1 124 124 LEU CB C 13 37.663 0.1 . 1 . . . . . . . . 6584 1 389 . 1 1 125 125 LEU N N 15 119.238 0.1 . 1 . . . . . . . . 6584 1 390 . 1 1 125 125 LEU H H 1 8.063 0.02 . 1 . . . . . . . . 6584 1 391 . 1 1 125 125 LEU CA C 13 55.744 0.1 . 1 . . . . . . . . 6584 1 392 . 1 1 125 125 LEU CB C 13 38.586 0.1 . 1 . . . . . . . . 6584 1 393 . 1 1 126 126 SER N N 15 116.616 0.1 . 1 . . . . . . . . 6584 1 394 . 1 1 126 126 SER H H 1 8.003 0.02 . 1 . . . . . . . . 6584 1 395 . 1 1 126 126 SER CA C 13 59.832 0.1 . 1 . . . . . . . . 6584 1 396 . 1 1 127 127 ILE N N 15 123.477 0.1 . 1 . . . . . . . . 6584 1 397 . 1 1 127 127 ILE H H 1 8.396 0.02 . 1 . . . . . . . . 6584 1 398 . 1 1 127 127 ILE CA C 13 63.498 0.1 . 1 . . . . . . . . 6584 1 399 . 1 1 127 127 ILE CB C 13 34.762 0.1 . 1 . . . . . . . . 6584 1 400 . 1 1 128 128 CYS N N 15 118.219 0.1 . 1 . . . . . . . . 6584 1 401 . 1 1 128 128 CYS H H 1 8.203 0.02 . 1 . . . . . . . . 6584 1 402 . 1 1 128 128 CYS CA C 13 62.917 0.1 . 1 . . . . . . . . 6584 1 403 . 1 1 128 128 CYS CB C 13 23.882 0.1 . 1 . . . . . . . . 6584 1 404 . 1 1 129 129 SER N N 15 113.506 0.1 . 1 . . . . . . . . 6584 1 405 . 1 1 129 129 SER H H 1 8.061 0.02 . 1 . . . . . . . . 6584 1 406 . 1 1 129 129 SER CA C 13 59.012 0.1 . 1 . . . . . . . . 6584 1 407 . 1 1 129 129 SER CB C 13 60.411 0.1 . 1 . . . . . . . . 6584 1 408 . 1 1 130 130 LEU N N 15 123.153 0.1 . 1 . . . . . . . . 6584 1 409 . 1 1 130 130 LEU H H 1 7.746 0.02 . 1 . . . . . . . . 6584 1 410 . 1 1 130 130 LEU CB C 13 39.575 0.1 . 1 . . . . . . . . 6584 1 411 . 1 1 130 130 LEU CA C 13 53.502 0.1 . 1 . . . . . . . . 6584 1 412 . 1 1 131 131 LEU N N 15 118.550 0.1 . 1 . . . . . . . . 6584 1 413 . 1 1 131 131 LEU H H 1 7.885 0.02 . 1 . . . . . . . . 6584 1 414 . 1 1 131 131 LEU CB C 13 37.663 0.1 . 1 . . . . . . . . 6584 1 415 . 1 1 131 131 LEU CA C 13 56.059 0.1 . 1 . . . . . . . . 6584 1 416 . 1 1 132 132 CYS N N 15 113.230 0.1 . 1 . . . . . . . . 6584 1 417 . 1 1 132 132 CYS H H 1 7.150 0.02 . 1 . . . . . . . . 6584 1 418 . 1 1 132 132 CYS CA C 13 59.422 0.1 . 1 . . . . . . . . 6584 1 419 . 1 1 132 132 CYS CB C 13 25.135 0.1 . 1 . . . . . . . . 6584 1 420 . 1 1 133 133 ASP N N 15 117.648 0.1 . 1 . . . . . . . . 6584 1 421 . 1 1 133 133 ASP H H 1 8.087 0.02 . 1 . . . . . . . . 6584 1 422 . 1 1 133 133 ASP CA C 13 49.466 0.1 . 1 . . . . . . . . 6584 1 423 . 1 1 133 133 ASP CB C 13 39.443 0.1 . 1 . . . . . . . . 6584 1 424 . 1 1 135 135 ASN N N 15 114.486 0.1 . 1 . . . . . . . . 6584 1 425 . 1 1 135 135 ASN H H 1 8.528 0.02 . 1 . . . . . . . . 6584 1 426 . 1 1 135 135 ASN CA C 13 46.564 0.1 . 1 . . . . . . . . 6584 1 427 . 1 1 135 135 ASN CB C 13 36.212 0.1 . 1 . . . . . . . . 6584 1 428 . 1 1 137 137 ASP N N 15 116.933 0.1 . 1 . . . . . . . . 6584 1 429 . 1 1 137 137 ASP H H 1 7.585 0.02 . 1 . . . . . . . . 6584 1 430 . 1 1 137 137 ASP CA C 13 52.762 0.1 . 1 . . . . . . . . 6584 1 431 . 1 1 137 137 ASP CB C 13 37.993 0.1 . 1 . . . . . . . . 6584 1 432 . 1 1 138 138 ASP N N 15 117.261 0.1 . 1 . . . . . . . . 6584 1 433 . 1 1 138 138 ASP H H 1 6.604 0.02 . 1 . . . . . . . . 6584 1 434 . 1 1 138 138 ASP CA C 13 49.070 0.1 . 1 . . . . . . . . 6584 1 435 . 1 1 138 138 ASP CB C 13 38.256 0.1 . 1 . . . . . . . . 6584 1 436 . 1 1 140 140 LEU N N 15 118.200 0.1 . 1 . . . . . . . . 6584 1 437 . 1 1 140 140 LEU H H 1 8.505 0.02 . 1 . . . . . . . . 6584 1 438 . 1 1 140 140 LEU CA C 13 52.762 0.1 . 1 . . . . . . . . 6584 1 439 . 1 1 140 140 LEU CB C 13 41.026 0.1 . 1 . . . . . . . . 6584 1 440 . 1 1 141 141 VAL N N 15 117.416 0.1 . 1 . . . . . . . . 6584 1 441 . 1 1 141 141 VAL H H 1 7.465 0.02 . 1 . . . . . . . . 6584 1 442 . 1 1 141 141 VAL CA C 13 56.338 0.1 . 1 . . . . . . . . 6584 1 443 . 1 1 141 141 VAL CB C 13 28.959 0.1 . 1 . . . . . . . . 6584 1 444 . 1 1 143 143 ASP N N 15 115.799 0.1 . 1 . . . . . . . . 6584 1 445 . 1 1 143 143 ASP H H 1 9.038 0.02 . 1 . . . . . . . . 6584 1 446 . 1 1 143 143 ASP CA C 13 54.426 0.1 . 1 . . . . . . . . 6584 1 447 . 1 1 143 143 ASP CB C 13 36.938 0.1 . 1 . . . . . . . . 6584 1 448 . 1 1 144 144 ILE N N 15 117.981 0.1 . 1 . . . . . . . . 6584 1 449 . 1 1 144 144 ILE H H 1 6.796 0.02 . 1 . . . . . . . . 6584 1 450 . 1 1 144 144 ILE CA C 13 62.389 0.1 . 1 . . . . . . . . 6584 1 451 . 1 1 144 144 ILE CB C 13 35.553 0.1 . 1 . . . . . . . . 6584 1 452 . 1 1 145 145 ALA N N 15 120.906 0.1 . 1 . . . . . . . . 6584 1 453 . 1 1 145 145 ALA H H 1 7.663 0.02 . 1 . . . . . . . . 6584 1 454 . 1 1 145 145 ALA CA C 13 52.960 0.1 . 1 . . . . . . . . 6584 1 455 . 1 1 145 145 ALA CB C 13 15.904 0.1 . 1 . . . . . . . . 6584 1 456 . 1 1 146 146 GLN N N 15 114.476 0.1 . 1 . . . . . . . . 6584 1 457 . 1 1 146 146 GLN H H 1 7.895 0.02 . 1 . . . . . . . . 6584 1 458 . 1 1 146 146 GLN CA C 13 56.059 0.1 . 1 . . . . . . . . 6584 1 459 . 1 1 146 146 GLN CB C 13 25.201 0.1 . 1 . . . . . . . . 6584 1 460 . 1 1 147 147 ILE N N 15 121.085 0.1 . 1 . . . . . . . . 6584 1 461 . 1 1 147 147 ILE H H 1 7.456 0.02 . 1 . . . . . . . . 6584 1 462 . 1 1 147 147 ILE CA C 13 61.928 0.1 . 1 . . . . . . . . 6584 1 463 . 1 1 147 147 ILE CB C 13 35.157 0.1 . 1 . . . . . . . . 6584 1 464 . 1 1 148 148 TYR N N 15 118.100 0.1 . 1 . . . . . . . . 6584 1 465 . 1 1 148 148 TYR H H 1 8.398 0.02 . 1 . . . . . . . . 6584 1 466 . 1 1 148 148 TYR CA C 13 59.950 0.1 . 1 . . . . . . . . 6584 1 467 . 1 1 148 148 TYR CB C 13 35.355 0.1 . 1 . . . . . . . . 6584 1 468 . 1 1 149 149 LYS N N 15 111.073 0.1 . 1 . . . . . . . . 6584 1 469 . 1 1 149 149 LYS H H 1 7.525 0.02 . 1 . . . . . . . . 6584 1 470 . 1 1 149 149 LYS CA C 13 56.125 0.1 . 1 . . . . . . . . 6584 1 471 . 1 1 149 149 LYS CB C 13 30.476 0.1 . 1 . . . . . . . . 6584 1 472 . 1 1 150 150 SER N N 15 111.712 0.1 . 1 . . . . . . . . 6584 1 473 . 1 1 150 150 SER H H 1 7.803 0.02 . 1 . . . . . . . . 6584 1 474 . 1 1 150 150 SER CA C 13 57.378 0.1 . 1 . . . . . . . . 6584 1 475 . 1 1 150 150 SER CB C 13 62.587 0.1 . 1 . . . . . . . . 6584 1 476 . 1 1 151 151 ASP N N 15 123.753 0.1 . 1 . . . . . . . . 6584 1 477 . 1 1 151 151 ASP H H 1 8.950 0.02 . 1 . . . . . . . . 6584 1 478 . 1 1 151 151 ASP CA C 13 50.784 0.1 . 1 . . . . . . . . 6584 1 479 . 1 1 151 151 ASP CB C 13 38.124 0.1 . 1 . . . . . . . . 6584 1 480 . 1 1 152 152 LYS N N 15 124.119 0.1 . 1 . . . . . . . . 6584 1 481 . 1 1 152 152 LYS H H 1 8.583 0.02 . 1 . . . . . . . . 6584 1 482 . 1 1 152 152 LYS CA C 13 56.389 0.1 . 1 . . . . . . . . 6584 1 483 . 1 1 152 152 LYS CB C 13 29.289 0.1 . 1 . . . . . . . . 6584 1 484 . 1 1 153 153 GLU N N 15 116.633 0.1 . 1 . . . . . . . . 6584 1 485 . 1 1 153 153 GLU H H 1 8.155 0.02 . 1 . . . . . . . . 6584 1 486 . 1 1 153 153 GLU CA C 13 56.587 0.1 . 1 . . . . . . . . 6584 1 487 . 1 1 153 153 GLU CB C 13 26.058 0.1 . 1 . . . . . . . . 6584 1 488 . 1 1 154 154 LYS N N 15 122.120 0.1 . 1 . . . . . . . . 6584 1 489 . 1 1 154 154 LYS H H 1 7.524 0.02 . 1 . . . . . . . . 6584 1 490 . 1 1 154 154 LYS CA C 13 56.719 0.1 . 1 . . . . . . . . 6584 1 491 . 1 1 154 154 LYS CB C 13 29.487 0.1 . 1 . . . . . . . . 6584 1 492 . 1 1 155 155 TYR N N 15 118.067 0.1 . 1 . . . . . . . . 6584 1 493 . 1 1 155 155 TYR H H 1 8.166 0.02 . 1 . . . . . . . . 6584 1 494 . 1 1 155 155 TYR CA C 13 59.752 0.1 . 1 . . . . . . . . 6584 1 495 . 1 1 155 155 TYR CB C 13 35.289 0.1 . 1 . . . . . . . . 6584 1 496 . 1 1 156 156 ASN N N 15 116.849 0.1 . 1 . . . . . . . . 6584 1 497 . 1 1 156 156 ASN H H 1 8.627 0.02 . 1 . . . . . . . . 6584 1 498 . 1 1 156 156 ASN CA C 13 53.041 0.1 . 1 . . . . . . . . 6584 1 499 . 1 1 156 156 ASN CB C 13 35.289 0.1 . 1 . . . . . . . . 6584 1 500 . 1 1 157 157 ARG N N 15 119.506 0.1 . 1 . . . . . . . . 6584 1 501 . 1 1 157 157 ARG H H 1 7.864 0.02 . 1 . . . . . . . . 6584 1 502 . 1 1 157 157 ARG CA C 13 57.297 0.1 . 1 . . . . . . . . 6584 1 503 . 1 1 157 157 ARG CB C 13 26.953 0.1 . 1 . . . . . . . . 6584 1 504 . 1 1 158 158 HIS N N 15 117.333 0.1 . 1 . . . . . . . . 6584 1 505 . 1 1 158 158 HIS H H 1 7.772 0.02 . 1 . . . . . . . . 6584 1 506 . 1 1 158 158 HIS CA C 13 55.261 0.1 . 1 . . . . . . . . 6584 1 507 . 1 1 158 158 HIS CB C 13 24.851 0.1 . 1 . . . . . . . . 6584 1 508 . 1 1 159 159 ALA N N 15 120.711 0.1 . 1 . . . . . . . . 6584 1 509 . 1 1 159 159 ALA H H 1 8.462 0.02 . 1 . . . . . . . . 6584 1 510 . 1 1 159 159 ALA CA C 13 52.962 0.1 . 1 . . . . . . . . 6584 1 511 . 1 1 159 159 ALA CB C 13 14.802 0.1 . 1 . . . . . . . . 6584 1 512 . 1 1 160 160 ARG N N 15 120.771 0.1 . 1 . . . . . . . . 6584 1 513 . 1 1 160 160 ARG H H 1 8.445 0.02 . 1 . . . . . . . . 6584 1 514 . 1 1 160 160 ARG CA C 13 56.969 0.1 . 1 . . . . . . . . 6584 1 515 . 1 1 160 160 ARG CB C 13 27.478 0.1 . 1 . . . . . . . . 6584 1 516 . 1 1 161 161 GLU N N 15 121.011 0.1 . 1 . . . . . . . . 6584 1 517 . 1 1 161 161 GLU CA C 13 57.034 0.1 . 1 . . . . . . . . 6584 1 518 . 1 1 161 161 GLU CB C 13 26.493 0.1 . 1 . . . . . . . . 6584 1 519 . 1 1 162 162 TRP N N 15 118.417 0.1 . 1 . . . . . . . . 6584 1 520 . 1 1 162 162 TRP H H 1 9.081 0.02 . 1 . . . . . . . . 6584 1 521 . 1 1 162 162 TRP CA C 13 58.646 0.1 . 1 . . . . . . . . 6584 1 522 . 1 1 162 162 TRP CB C 13 26.559 0.1 . 1 . . . . . . . . 6584 1 523 . 1 1 163 163 THR N N 15 123.737 0.1 . 1 . . . . . . . . 6584 1 524 . 1 1 163 163 THR H H 1 8.403 0.02 . 1 . . . . . . . . 6584 1 525 . 1 1 163 163 THR CA C 13 66.361 0.1 . 1 . . . . . . . . 6584 1 526 . 1 1 163 163 THR CB C 13 65.113 0.1 . 1 . . . . . . . . 6584 1 527 . 1 1 164 164 GLN N N 15 118.425 0.1 . 1 . . . . . . . . 6584 1 528 . 1 1 164 164 GLN H H 1 7.977 0.02 . 1 . . . . . . . . 6584 1 529 . 1 1 164 164 GLN CA C 13 55.589 0.1 . 1 . . . . . . . . 6584 1 530 . 1 1 164 164 GLN CB C 13 25.574 0.1 . 1 . . . . . . . . 6584 1 531 . 1 1 165 165 LYS N N 15 114.849 0.1 . 1 . . . . . . . . 6584 1 532 . 1 1 165 165 LYS H H 1 7.795 0.02 . 1 . . . . . . . . 6584 1 533 . 1 1 165 165 LYS CA C 13 56.049 0.1 . 1 . . . . . . . . 6584 1 534 . 1 1 165 165 LYS CB C 13 30.697 0.1 . 1 . . . . . . . . 6584 1 535 . 1 1 166 166 TYR N N 15 111.280 0.1 . 1 . . . . . . . . 6584 1 536 . 1 1 166 166 TYR H H 1 7.877 0.02 . 1 . . . . . . . . 6584 1 537 . 1 1 166 166 TYR CA C 13 55.524 0.1 . 1 . . . . . . . . 6584 1 538 . 1 1 166 166 TYR CB C 13 38.053 0.1 . 1 . . . . . . . . 6584 1 539 . 1 1 167 167 ALA N N 15 122.319 0.1 . 1 . . . . . . . . 6584 1 540 . 1 1 167 167 ALA H H 1 8.088 0.02 . 1 . . . . . . . . 6584 1 541 . 1 1 167 167 ALA CA C 13 48.824 0.1 . 1 . . . . . . . . 6584 1 542 . 1 1 167 167 ALA CB C 13 18.809 0.1 . 1 . . . . . . . . 6584 1 543 . 1 1 168 168 MET N N 15 121.919 0.1 . 1 . . . . . . . . 6584 1 544 . 1 1 168 168 MET H H 1 7.210 0.02 . 1 . . . . . . . . 6584 1 545 . 1 1 168 168 MET CA C 13 54.407 0.1 . 1 . . . . . . . . 6584 1 546 . 1 1 168 168 MET CB C 13 32.273 0.1 . 1 . . . . . . . . 6584 1 stop_ save_