################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18448 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18448 1 2 '3D HNCA' . . . 18448 1 3 '3D HNCACB' . . . 18448 1 4 '3D C(CO)NH' . . . 18448 1 5 '3D CBCA(CO)NH' . . . 18448 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 ALA CA C 13 52.757 0.414 . 1 . . . . 7 ALA CA . 18448 1 2 . 1 1 7 7 ALA CB C 13 18.922 0.414 . 1 . . . . 7 ALA CB . 18448 1 3 . 1 1 8 8 ASN H H 1 8.351 0.007 . 1 . . . . 8 ASN H . 18448 1 4 . 1 1 8 8 ASN CA C 13 52.947 0.414 . 1 . . . . 8 ASN CA . 18448 1 5 . 1 1 8 8 ASN CB C 13 38.743 0.414 . 1 . . . . 8 ASN CB . 18448 1 6 . 1 1 8 8 ASN N N 15 117.67 0.095 . 1 . . . . 8 ASN N . 18448 1 7 . 1 1 9 9 SER H H 1 8.15 0.007 . 1 . . . . 9 SER H . 18448 1 8 . 1 1 9 9 SER CA C 13 58.388 0.414 . 1 . . . . 9 SER CA . 18448 1 9 . 1 1 9 9 SER CB C 13 63.907 0.414 . 1 . . . . 9 SER CB . 18448 1 10 . 1 1 9 9 SER N N 15 116.02 0.095 . 1 . . . . 9 SER N . 18448 1 11 . 1 1 10 10 GLY H H 1 7.974 0.007 . 1 . . . . 10 GLY H . 18448 1 12 . 1 1 10 10 GLY CA C 13 45.312 0.414 . 1 . . . . 10 GLY CA . 18448 1 13 . 1 1 10 10 GLY N N 15 116.86 0.095 . 1 . . . . 10 GLY N . 18448 1 14 . 1 1 11 11 SER H H 1 8.088 0.007 . 1 . . . . 11 SER H . 18448 1 15 . 1 1 11 11 SER CA C 13 58.17 0.414 . 1 . . . . 11 SER CA . 18448 1 16 . 1 1 11 11 SER CB C 13 63.844 0.414 . 1 . . . . 11 SER CB . 18448 1 17 . 1 1 11 11 SER N N 15 115.36 0.095 . 1 . . . . 11 SER N . 18448 1 18 . 1 1 12 12 SER H H 1 8.239 0.007 . 1 . . . . 12 SER H . 18448 1 19 . 1 1 12 12 SER CA C 13 58.17 0.414 . 1 . . . . 12 SER CA . 18448 1 20 . 1 1 12 12 SER CB C 13 63.822 0.414 . 1 . . . . 12 SER CB . 18448 1 21 . 1 1 12 12 SER N N 15 117.97 0.095 . 1 . . . . 12 SER N . 18448 1 22 . 1 1 13 13 LEU H H 1 8.071 0.007 . 1 . . . . 13 LEU H . 18448 1 23 . 1 1 13 13 LEU CA C 13 53.023 0.414 . 1 . . . . 13 LEU CA . 18448 1 24 . 1 1 13 13 LEU CB C 13 41.576 0.414 . 1 . . . . 13 LEU CB . 18448 1 25 . 1 1 13 13 LEU N N 15 124.9 0.095 . 1 . . . . 13 LEU N . 18448 1 26 . 1 1 14 14 PRO CA C 13 62.722 0.414 . 1 . . . . 14 PRO CA . 18448 1 27 . 1 1 14 14 PRO CB C 13 31.53 0.414 . 1 . . . . 14 PRO CB . 18448 1 28 . 1 1 15 15 LEU H H 1 8.288 0.007 . 1 . . . . 15 LEU H . 18448 1 29 . 1 1 15 15 LEU CA C 13 55.912 0.414 . 1 . . . . 15 LEU CA . 18448 1 30 . 1 1 15 15 LEU CB C 13 42.269 0.414 . 1 . . . . 15 LEU CB . 18448 1 31 . 1 1 15 15 LEU N N 15 122.45 0.095 . 1 . . . . 15 LEU N . 18448 1 32 . 1 1 16 16 PHE H H 1 7.676 0.007 . 1 . . . . 16 PHE H . 18448 1 33 . 1 1 16 16 PHE CA C 13 56.729 0.414 . 1 . . . . 16 PHE CA . 18448 1 34 . 1 1 16 16 PHE CB C 13 40.85 0.414 . 1 . . . . 16 PHE CB . 18448 1 35 . 1 1 16 16 PHE N N 15 117.76 0.095 . 1 . . . . 16 PHE N . 18448 1 36 . 1 1 17 17 ASP H H 1 7.782 0.007 . 1 . . . . 17 ASP H . 18448 1 37 . 1 1 17 17 ASP CA C 13 51.775 0.414 . 1 . . . . 17 ASP CA . 18448 1 38 . 1 1 17 17 ASP CB C 13 40.392 0.414 . 1 . . . . 17 ASP CB . 18448 1 39 . 1 1 17 17 ASP N N 15 128.22 0.095 . 1 . . . . 17 ASP N . 18448 1 40 . 1 1 18 18 CYS H H 1 7.688 0.007 . 1 . . . . 18 CYS H . 18448 1 41 . 1 1 18 18 CYS CA C 13 56.944 0.414 . 1 . . . . 18 CYS CA . 18448 1 42 . 1 1 18 18 CYS CB C 13 26.76 0.414 . 1 . . . . 18 CYS CB . 18448 1 43 . 1 1 18 18 CYS N N 15 125.27 0.095 . 1 . . . . 18 CYS N . 18448 1 44 . 1 1 19 19 PRO CA C 13 62.331 0.414 . 1 . . . . 19 PRO CA . 18448 1 45 . 1 1 19 19 PRO CB C 13 31.009 0.414 . 1 . . . . 19 PRO CB . 18448 1 46 . 1 1 20 20 THR H H 1 8.588 0.007 . 1 . . . . 20 THR H . 18448 1 47 . 1 1 20 20 THR CA C 13 64.153 0.414 . 1 . . . . 20 THR CA . 18448 1 48 . 1 1 20 20 THR CB C 13 68.441 0.414 . 1 . . . . 20 THR CB . 18448 1 49 . 1 1 20 20 THR N N 15 114.07 0.095 . 1 . . . . 20 THR N . 18448 1 50 . 1 1 21 21 TRP H H 1 6.329 0.007 . 1 . . . . 21 TRP H . 18448 1 51 . 1 1 21 21 TRP CA C 13 53.358 0.414 . 1 . . . . 21 TRP CA . 18448 1 52 . 1 1 21 21 TRP CB C 13 28.332 0.414 . 1 . . . . 21 TRP CB . 18448 1 53 . 1 1 21 21 TRP N N 15 114.17 0.095 . 1 . . . . 21 TRP N . 18448 1 54 . 1 1 22 22 ALA H H 1 6.765 0.007 . 1 . . . . 22 ALA H . 18448 1 55 . 1 1 22 22 ALA CA C 13 52.215 0.414 . 1 . . . . 22 ALA CA . 18448 1 56 . 1 1 22 22 ALA CB C 13 20.604 0.414 . 1 . . . . 22 ALA CB . 18448 1 57 . 1 1 22 22 ALA N N 15 123.58 0.095 . 1 . . . . 22 ALA N . 18448 1 58 . 1 1 23 23 GLY H H 1 8.96 0.007 . 1 . . . . 23 GLY H . 18448 1 59 . 1 1 23 23 GLY CA C 13 44.52 0.414 . 1 . . . . 23 GLY CA . 18448 1 60 . 1 1 23 23 GLY N N 15 109.12 0.095 . 1 . . . . 23 GLY N . 18448 1 61 . 1 1 27 27 PRO CA C 13 63.146 0.414 . 1 . . . . 27 PRO CA . 18448 1 62 . 1 1 27 27 PRO CB C 13 31.963 0.414 . 1 . . . . 27 PRO CB . 18448 1 63 . 1 1 28 28 GLY H H 1 10.741 0.007 . 1 . . . . 28 GLY H . 18448 1 64 . 1 1 28 28 GLY CA C 13 45.418 0.414 . 1 . . . . 28 GLY CA . 18448 1 65 . 1 1 28 28 GLY N N 15 113.31 0.095 . 1 . . . . 28 GLY N . 18448 1 66 . 1 1 29 29 LEU H H 1 7.112 0.007 . 1 . . . . 29 LEU H . 18448 1 67 . 1 1 29 29 LEU CA C 13 56.325 0.414 . 1 . . . . 29 LEU CA . 18448 1 68 . 1 1 29 29 LEU CB C 13 42.546 0.414 . 1 . . . . 29 LEU CB . 18448 1 69 . 1 1 29 29 LEU N N 15 126.55 0.095 . 1 . . . . 29 LEU N . 18448 1 70 . 1 1 30 30 HIS H H 1 8.839 0.007 . 1 . . . . 30 HIS H . 18448 1 71 . 1 1 30 30 HIS CA C 13 55.288 0.414 . 1 . . . . 30 HIS CA . 18448 1 72 . 1 1 30 30 HIS CB C 13 31.015 0.414 . 1 . . . . 30 HIS CB . 18448 1 73 . 1 1 30 30 HIS N N 15 120.59 0.095 . 1 . . . . 30 HIS N . 18448 1 74 . 1 1 31 31 LEU H H 1 9.102 0.007 . 1 . . . . 31 LEU H . 18448 1 75 . 1 1 31 31 LEU CA C 13 52.406 0.414 . 1 . . . . 31 LEU CA . 18448 1 76 . 1 1 31 31 LEU CB C 13 44.235 0.414 . 1 . . . . 31 LEU CB . 18448 1 77 . 1 1 31 31 LEU N N 15 117.33 0.095 . 1 . . . . 31 LEU N . 18448 1 78 . 1 1 32 32 ASP H H 1 9.032 0.007 . 1 . . . . 32 ASP H . 18448 1 79 . 1 1 32 32 ASP CA C 13 53.847 0.414 . 1 . . . . 32 ASP CA . 18448 1 80 . 1 1 32 32 ASP CB C 13 42 0.414 . 1 . . . . 32 ASP CB . 18448 1 81 . 1 1 32 32 ASP N N 15 124.81 0.095 . 1 . . . . 32 ASP N . 18448 1 82 . 1 1 33 33 VAL H H 1 8.587 0.007 . 1 . . . . 33 VAL H . 18448 1 83 . 1 1 33 33 VAL CA C 13 61.484 0.414 . 1 . . . . 33 VAL CA . 18448 1 84 . 1 1 33 33 VAL CB C 13 31.468 0.414 . 1 . . . . 33 VAL CB . 18448 1 85 . 1 1 33 33 VAL N N 15 124.25 0.095 . 1 . . . . 33 VAL N . 18448 1 86 . 1 1 34 34 VAL H H 1 8.748 0.007 . 1 . . . . 34 VAL H . 18448 1 87 . 1 1 34 34 VAL CA C 13 59.627 0.414 . 1 . . . . 34 VAL CA . 18448 1 88 . 1 1 34 34 VAL CB C 13 35.137 0.414 . 1 . . . . 34 VAL CB . 18448 1 89 . 1 1 34 34 VAL N N 15 126.46 0.095 . 1 . . . . 34 VAL N . 18448 1 90 . 1 1 38 38 LYS CA C 13 58.286 0.414 . 1 . . . . 38 LYS CA . 18448 1 91 . 1 1 38 38 LYS CB C 13 32.931 0.414 . 1 . . . . 38 LYS CB . 18448 1 92 . 1 1 39 39 LEU H H 1 8.356 0.007 . 1 . . . . 39 LEU H . 18448 1 93 . 1 1 39 39 LEU CA C 13 55.093 0.414 . 1 . . . . 39 LEU CA . 18448 1 94 . 1 1 39 39 LEU CB C 13 41.681 0.414 . 1 . . . . 39 LEU CB . 18448 1 95 . 1 1 39 39 LEU N N 15 126.51 0.095 . 1 . . . . 39 LEU N . 18448 1 96 . 1 1 40 40 ILE H H 1 9.274 0.007 . 1 . . . . 40 ILE H . 18448 1 97 . 1 1 40 40 ILE CA C 13 62.004 0.414 . 1 . . . . 40 ILE CA . 18448 1 98 . 1 1 40 40 ILE CB C 13 39.317 0.414 . 1 . . . . 40 ILE CB . 18448 1 99 . 1 1 40 40 ILE N N 15 126.22 0.095 . 1 . . . . 40 ILE N . 18448 1 100 . 1 1 41 41 GLU H H 1 7.545 0.007 . 1 . . . . 41 GLU H . 18448 1 101 . 1 1 41 41 GLU CA C 13 55.152 0.414 . 1 . . . . 41 GLU CA . 18448 1 102 . 1 1 41 41 GLU CB C 13 31.973 0.414 . 1 . . . . 41 GLU CB . 18448 1 103 . 1 1 41 41 GLU N N 15 116.04 0.095 . 1 . . . . 41 GLU N . 18448 1 104 . 1 1 42 42 LYS H H 1 8.248 0.007 . 1 . . . . 42 LYS H . 18448 1 105 . 1 1 42 42 LYS CA C 13 55.179 0.414 . 1 . . . . 42 LYS CA . 18448 1 106 . 1 1 42 42 LYS CB C 13 35.294 0.414 . 1 . . . . 42 LYS CB . 18448 1 107 . 1 1 42 42 LYS N N 15 118.9 0.095 . 1 . . . . 42 LYS N . 18448 1 108 . 1 1 43 43 LEU H H 1 9.27 0.007 . 1 . . . . 43 LEU H . 18448 1 109 . 1 1 43 43 LEU CA C 13 52.596 0.414 . 1 . . . . 43 LEU CA . 18448 1 110 . 1 1 43 43 LEU CB C 13 41.744 0.414 . 1 . . . . 43 LEU CB . 18448 1 111 . 1 1 43 43 LEU N N 15 123.43 0.095 . 1 . . . . 43 LEU N . 18448 1 112 . 1 1 44 44 ILE H H 1 8.797 0.007 . 1 . . . . 44 ILE H . 18448 1 113 . 1 1 44 44 ILE CA C 13 61.896 0.414 . 1 . . . . 44 ILE CA . 18448 1 114 . 1 1 44 44 ILE CB C 13 36.938 0.414 . 1 . . . . 44 ILE CB . 18448 1 115 . 1 1 44 44 ILE N N 15 126.13 0.095 . 1 . . . . 44 ILE N . 18448 1 116 . 1 1 45 45 ILE H H 1 7.328 0.007 . 1 . . . . 45 ILE H . 18448 1 117 . 1 1 45 45 ILE CA C 13 59.557 0.414 . 1 . . . . 45 ILE CA . 18448 1 118 . 1 1 45 45 ILE CB C 13 37.274 0.414 . 1 . . . . 45 ILE CB . 18448 1 119 . 1 1 45 45 ILE N N 15 120.4 0.095 . 1 . . . . 45 ILE N . 18448 1 120 . 1 1 46 46 ASP H H 1 6.794 0.007 . 1 . . . . 46 ASP H . 18448 1 121 . 1 1 46 46 ASP CA C 13 52.596 0.414 . 1 . . . . 46 ASP CA . 18448 1 122 . 1 1 46 46 ASP CB C 13 42 0.414 . 1 . . . . 46 ASP CB . 18448 1 123 . 1 1 46 46 ASP N N 15 114.97 0.095 . 1 . . . . 46 ASP N . 18448 1 124 . 1 1 47 47 GLU H H 1 7.574 0.007 . 1 . . . . 47 GLU H . 18448 1 125 . 1 1 47 47 GLU CA C 13 57.137 0.414 . 1 . . . . 47 GLU CA . 18448 1 126 . 1 1 47 47 GLU CB C 13 33.058 0.414 . 1 . . . . 47 GLU CB . 18448 1 127 . 1 1 47 47 GLU N N 15 115.36 0.095 . 1 . . . . 47 GLU N . 18448 1 128 . 1 1 48 48 LYS H H 1 7.374 0.007 . 1 . . . . 48 LYS H . 18448 1 129 . 1 1 48 48 LYS CA C 13 55.288 0.414 . 1 . . . . 48 LYS CA . 18448 1 130 . 1 1 48 48 LYS CB C 13 34.91 0.414 . 1 . . . . 48 LYS CB . 18448 1 131 . 1 1 48 48 LYS N N 15 116.81 0.095 . 1 . . . . 48 LYS N . 18448 1 132 . 1 1 49 49 LYS H H 1 7.98 0.007 . 1 . . . . 49 LYS H . 18448 1 133 . 1 1 49 49 LYS CA C 13 57.681 0.414 . 1 . . . . 49 LYS CA . 18448 1 134 . 1 1 49 49 LYS CB C 13 33.314 0.414 . 1 . . . . 49 LYS CB . 18448 1 135 . 1 1 49 49 LYS N N 15 115.3 0.095 . 1 . . . . 49 LYS N . 18448 1 136 . 1 1 50 50 TYR H H 1 6.569 0.007 . 1 . . . . 50 TYR H . 18448 1 137 . 1 1 50 50 TYR CA C 13 56.049 0.414 . 1 . . . . 50 TYR CA . 18448 1 138 . 1 1 50 50 TYR CB C 13 41.808 0.414 . 1 . . . . 50 TYR CB . 18448 1 139 . 1 1 50 50 TYR N N 15 109.22 0.095 . 1 . . . . 50 TYR N . 18448 1 140 . 1 1 51 51 TYR H H 1 9.11 0.007 . 1 . . . . 51 TYR H . 18448 1 141 . 1 1 51 51 TYR CA C 13 56.947 0.414 . 1 . . . . 51 TYR CA . 18448 1 142 . 1 1 51 51 TYR CB C 13 43.98 0.414 . 1 . . . . 51 TYR CB . 18448 1 143 . 1 1 51 51 TYR N N 15 117.05 0.095 . 1 . . . . 51 TYR N . 18448 1 144 . 1 1 52 52 LEU H H 1 9.698 0.007 . 1 . . . . 52 LEU H . 18448 1 145 . 1 1 52 52 LEU CA C 13 53.629 0.414 . 1 . . . . 52 LEU CA . 18448 1 146 . 1 1 52 52 LEU CB C 13 45.768 0.414 . 1 . . . . 52 LEU CB . 18448 1 147 . 1 1 52 52 LEU N N 15 120.57 0.095 . 1 . . . . 52 LEU N . 18448 1 148 . 1 1 53 53 PHE H H 1 9.085 0.007 . 1 . . . . 53 PHE H . 18448 1 149 . 1 1 53 53 PHE CA C 13 55.478 0.414 . 1 . . . . 53 PHE CA . 18448 1 150 . 1 1 53 53 PHE CB C 13 42.128 0.414 . 1 . . . . 53 PHE CB . 18448 1 151 . 1 1 53 53 PHE N N 15 120.78 0.095 . 1 . . . . 53 PHE N . 18448 1 152 . 1 1 54 54 GLY H H 1 8.206 0.007 . 1 . . . . 54 GLY H . 18448 1 153 . 1 1 54 54 GLY CA C 13 47.212 0.414 . 1 . . . . 54 GLY CA . 18448 1 154 . 1 1 54 54 GLY N N 15 109.2 0.095 . 1 . . . . 54 GLY N . 18448 1 155 . 1 1 55 55 ARG H H 1 8.443 0.007 . 1 . . . . 55 ARG H . 18448 1 156 . 1 1 55 55 ARG CA C 13 56.947 0.414 . 1 . . . . 55 ARG CA . 18448 1 157 . 1 1 55 55 ARG CB C 13 32.356 0.414 . 1 . . . . 55 ARG CB . 18448 1 158 . 1 1 55 55 ARG N N 15 119.6 0.095 . 1 . . . . 55 ARG N . 18448 1 159 . 1 1 56 56 ASN H H 1 8.106 0.007 . 1 . . . . 56 ASN H . 18448 1 160 . 1 1 56 56 ASN CA C 13 50.937 0.414 . 1 . . . . 56 ASN CA . 18448 1 161 . 1 1 56 56 ASN CB C 13 39.637 0.414 . 1 . . . . 56 ASN CB . 18448 1 162 . 1 1 56 56 ASN N N 15 117.19 0.095 . 1 . . . . 56 ASN N . 18448 1 163 . 1 1 57 57 PRO CA C 13 63.989 0.414 . 1 . . . . 57 PRO CA . 18448 1 164 . 1 1 57 57 PRO CB C 13 32.025 0.414 . 1 . . . . 57 PRO CB . 18448 1 165 . 1 1 58 58 ASP H H 1 7.917 0.007 . 1 . . . . 58 ASP H . 18448 1 166 . 1 1 58 58 ASP CA C 13 55.778 0.414 . 1 . . . . 58 ASP CA . 18448 1 167 . 1 1 58 58 ASP CB C 13 40.339 0.414 . 1 . . . . 58 ASP CB . 18448 1 168 . 1 1 58 58 ASP N N 15 116.37 0.095 . 1 . . . . 58 ASP N . 18448 1 169 . 1 1 59 59 LEU H H 1 7.006 0.007 . 1 . . . . 59 LEU H . 18448 1 170 . 1 1 59 59 LEU CA C 13 54.636 0.414 . 1 . . . . 59 LEU CA . 18448 1 171 . 1 1 59 59 LEU CB C 13 45.321 0.414 . 1 . . . . 59 LEU CB . 18448 1 172 . 1 1 59 59 LEU N N 15 115.63 0.095 . 1 . . . . 59 LEU N . 18448 1 173 . 1 1 60 60 CYS H H 1 6.969 0.007 . 1 . . . . 60 CYS H . 18448 1 174 . 1 1 60 60 CYS CA C 13 58.361 0.414 . 1 . . . . 60 CYS CA . 18448 1 175 . 1 1 60 60 CYS CB C 13 29.673 0.414 . 1 . . . . 60 CYS CB . 18448 1 176 . 1 1 60 60 CYS N N 15 113.33 0.095 . 1 . . . . 60 CYS N . 18448 1 177 . 1 1 61 61 ASP H H 1 7.709 0.007 . 1 . . . . 61 ASP H . 18448 1 178 . 1 1 61 61 ASP CA C 13 57.028 0.414 . 1 . . . . 61 ASP CA . 18448 1 179 . 1 1 61 61 ASP CB C 13 42.83 0.414 . 1 . . . . 61 ASP CB . 18448 1 180 . 1 1 61 61 ASP N N 15 120.97 0.095 . 1 . . . . 61 ASP N . 18448 1 181 . 1 1 62 62 PHE H H 1 7.383 0.007 . 1 . . . . 62 PHE H . 18448 1 182 . 1 1 62 62 PHE CA C 13 55.043 0.414 . 1 . . . . 62 PHE CA . 18448 1 183 . 1 1 62 62 PHE CB C 13 40.786 0.414 . 1 . . . . 62 PHE CB . 18448 1 184 . 1 1 62 62 PHE N N 15 115.68 0.095 . 1 . . . . 62 PHE N . 18448 1 185 . 1 1 63 63 THR H H 1 8.496 0.007 . 1 . . . . 63 THR H . 18448 1 186 . 1 1 63 63 THR CA C 13 60.482 0.414 . 1 . . . . 63 THR CA . 18448 1 187 . 1 1 63 63 THR CB C 13 69.655 0.414 . 1 . . . . 63 THR CB . 18448 1 188 . 1 1 63 63 THR N N 15 116.66 0.095 . 1 . . . . 63 THR N . 18448 1 189 . 1 1 64 64 ILE H H 1 7.774 0.007 . 1 . . . . 64 ILE H . 18448 1 190 . 1 1 64 64 ILE CA C 13 60.273 0.414 . 1 . . . . 64 ILE CA . 18448 1 191 . 1 1 64 64 ILE CB C 13 38.945 0.414 . 1 . . . . 64 ILE CB . 18448 1 192 . 1 1 64 64 ILE N N 15 125.28 0.095 . 1 . . . . 64 ILE N . 18448 1 193 . 1 1 65 65 ASP H H 1 8.284 0.007 . 1 . . . . 65 ASP H . 18448 1 194 . 1 1 65 65 ASP CA C 13 53.819 0.414 . 1 . . . . 65 ASP CA . 18448 1 195 . 1 1 65 65 ASP CB C 13 40.053 0.414 . 1 . . . . 65 ASP CB . 18448 1 196 . 1 1 65 65 ASP N N 15 123.38 0.095 . 1 . . . . 65 ASP N . 18448 1 197 . 1 1 66 66 HIS H H 1 7.563 0.007 . 1 . . . . 66 HIS H . 18448 1 198 . 1 1 66 66 HIS CA C 13 59.332 0.414 . 1 . . . . 66 HIS CA . 18448 1 199 . 1 1 66 66 HIS CB C 13 33.683 0.414 . 1 . . . . 66 HIS CB . 18448 1 200 . 1 1 66 66 HIS N N 15 122.04 0.095 . 1 . . . . 66 HIS N . 18448 1 201 . 1 1 67 67 GLN H H 1 8.376 0.007 . 1 . . . . 67 GLN H . 18448 1 202 . 1 1 67 67 GLN CA C 13 58.33 0.414 . 1 . . . . 67 GLN CA . 18448 1 203 . 1 1 67 67 GLN CB C 13 27.937 0.414 . 1 . . . . 67 GLN CB . 18448 1 204 . 1 1 67 67 GLN N N 15 125.02 0.095 . 1 . . . . 67 GLN N . 18448 1 205 . 1 1 68 68 SER H H 1 8.924 0.007 . 1 . . . . 68 SER H . 18448 1 206 . 1 1 68 68 SER CA C 13 59.421 0.414 . 1 . . . . 68 SER CA . 18448 1 207 . 1 1 68 68 SER CB C 13 63.587 0.414 . 1 . . . . 68 SER CB . 18448 1 208 . 1 1 68 68 SER N N 15 115.11 0.095 . 1 . . . . 68 SER N . 18448 1 209 . 1 1 69 69 CYS CA C 13 60.019 0.414 . 1 . . . . 69 CYS CA . 18448 1 210 . 1 1 69 69 CYS CB C 13 28.477 0.414 . 1 . . . . 69 CYS CB . 18448 1 211 . 1 1 70 70 SER H H 1 11.69 0.007 . 1 . . . . 70 SER H . 18448 1 212 . 1 1 70 70 SER CA C 13 60.494 0.414 . 1 . . . . 70 SER CA . 18448 1 213 . 1 1 70 70 SER CB C 13 64.824 0.414 . 1 . . . . 70 SER CB . 18448 1 214 . 1 1 70 70 SER N N 15 125.18 0.095 . 1 . . . . 70 SER N . 18448 1 215 . 1 1 71 71 ARG H H 1 8.793 0.007 . 1 . . . . 71 ARG H . 18448 1 216 . 1 1 71 71 ARG CA C 13 61.461 0.414 . 1 . . . . 71 ARG CA . 18448 1 217 . 1 1 71 71 ARG CB C 13 30.376 0.414 . 1 . . . . 71 ARG CB . 18448 1 218 . 1 1 71 71 ARG N N 15 124.56 0.095 . 1 . . . . 71 ARG N . 18448 1 219 . 1 1 72 72 VAL H H 1 7.201 0.007 . 1 . . . . 72 VAL H . 18448 1 220 . 1 1 72 72 VAL CA C 13 64.37 0.414 . 1 . . . . 72 VAL CA . 18448 1 221 . 1 1 72 72 VAL CB C 13 32.994 0.414 . 1 . . . . 72 VAL CB . 18448 1 222 . 1 1 72 72 VAL N N 15 113.94 0.095 . 1 . . . . 72 VAL N . 18448 1 223 . 1 1 73 73 HIS H H 1 9.231 0.007 . 1 . . . . 73 HIS H . 18448 1 224 . 1 1 73 73 HIS CA C 13 59.582 0.414 . 1 . . . . 73 HIS CA . 18448 1 225 . 1 1 73 73 HIS CB C 13 36.446 0.414 . 1 . . . . 73 HIS CB . 18448 1 226 . 1 1 73 73 HIS N N 15 129.02 0.095 . 1 . . . . 73 HIS N . 18448 1 227 . 1 1 74 74 ALA H H 1 8.049 0.007 . 1 . . . . 74 ALA H . 18448 1 228 . 1 1 74 74 ALA CA C 13 51.318 0.414 . 1 . . . . 74 ALA CA . 18448 1 229 . 1 1 74 74 ALA CB C 13 23.925 0.414 . 1 . . . . 74 ALA CB . 18448 1 230 . 1 1 74 74 ALA N N 15 114.97 0.095 . 1 . . . . 74 ALA N . 18448 1 231 . 1 1 75 75 ALA H H 1 8.96 0.007 . 1 . . . . 75 ALA H . 18448 1 232 . 1 1 75 75 ALA CA C 13 49.795 0.414 . 1 . . . . 75 ALA CA . 18448 1 233 . 1 1 75 75 ALA CB C 13 22.903 0.414 . 1 . . . . 75 ALA CB . 18448 1 234 . 1 1 75 75 ALA N N 15 121.07 0.095 . 1 . . . . 75 ALA N . 18448 1 235 . 1 1 76 76 LEU H H 1 9.456 0.007 . 1 . . . . 76 LEU H . 18448 1 236 . 1 1 76 76 LEU CA C 13 54.645 0.414 . 1 . . . . 76 LEU CA . 18448 1 237 . 1 1 76 76 LEU CB C 13 46.769 0.414 . 1 . . . . 76 LEU CB . 18448 1 238 . 1 1 76 76 LEU N N 15 126.26 0.095 . 1 . . . . 76 LEU N . 18448 1 239 . 1 1 77 77 VAL H H 1 9.574 0.007 . 1 . . . . 77 VAL H . 18448 1 240 . 1 1 77 77 VAL CA C 13 60.629 0.414 . 1 . . . . 77 VAL CA . 18448 1 241 . 1 1 77 77 VAL CB C 13 36.73 0.414 . 1 . . . . 77 VAL CB . 18448 1 242 . 1 1 77 77 VAL N N 15 123.94 0.095 . 1 . . . . 77 VAL N . 18448 1 243 . 1 1 78 78 TYR H H 1 8.843 0.007 . 1 . . . . 78 TYR H . 18448 1 244 . 1 1 78 78 TYR CA C 13 58.832 0.414 . 1 . . . . 78 TYR CA . 18448 1 245 . 1 1 78 78 TYR CB C 13 39.112 0.414 . 1 . . . . 78 TYR CB . 18448 1 246 . 1 1 78 78 TYR N N 15 128.45 0.095 . 1 . . . . 78 TYR N . 18448 1 247 . 1 1 79 79 HIS H H 1 8.696 0.007 . 1 . . . . 79 HIS H . 18448 1 248 . 1 1 79 79 HIS CA C 13 55.843 0.414 . 1 . . . . 79 HIS CA . 18448 1 249 . 1 1 79 79 HIS CB C 13 33.342 0.414 . 1 . . . . 79 HIS CB . 18448 1 250 . 1 1 79 79 HIS N N 15 130.04 0.095 . 1 . . . . 79 HIS N . 18448 1 251 . 1 1 80 80 LYS H H 1 8.546 0.007 . 1 . . . . 80 LYS H . 18448 1 252 . 1 1 80 80 LYS CA C 13 58.565 0.414 . 1 . . . . 80 LYS CA . 18448 1 253 . 1 1 80 80 LYS CB C 13 33.291 0.414 . 1 . . . . 80 LYS CB . 18448 1 254 . 1 1 80 80 LYS N N 15 125.85 0.095 . 1 . . . . 80 LYS N . 18448 1 255 . 1 1 81 81 HIS H H 1 8.48 0.007 . 1 . . . . 81 HIS H . 18448 1 256 . 1 1 81 81 HIS CA C 13 57.572 0.414 . 1 . . . . 81 HIS CA . 18448 1 257 . 1 1 81 81 HIS CB C 13 31.717 0.414 . 1 . . . . 81 HIS CB . 18448 1 258 . 1 1 81 81 HIS N N 15 118.12 0.095 . 1 . . . . 81 HIS N . 18448 1 259 . 1 1 82 82 LEU H H 1 9.008 0.007 . 1 . . . . 82 LEU H . 18448 1 260 . 1 1 82 82 LEU CA C 13 55.071 0.414 . 1 . . . . 82 LEU CA . 18448 1 261 . 1 1 82 82 LEU CB C 13 41.744 0.414 . 1 . . . . 82 LEU CB . 18448 1 262 . 1 1 82 82 LEU N N 15 120.03 0.095 . 1 . . . . 82 LEU N . 18448 1 263 . 1 1 83 83 LYS H H 1 8.048 0.007 . 1 . . . . 83 LYS H . 18448 1 264 . 1 1 83 83 LYS CA C 13 57.056 0.414 . 1 . . . . 83 LYS CA . 18448 1 265 . 1 1 83 83 LYS CB C 13 28.46 0.414 . 1 . . . . 83 LYS CB . 18448 1 266 . 1 1 83 83 LYS N N 15 116.34 0.095 . 1 . . . . 83 LYS N . 18448 1 267 . 1 1 84 84 ARG H H 1 6.376 0.007 . 1 . . . . 84 ARG H . 18448 1 268 . 1 1 84 84 ARG CA C 13 53.004 0.414 . 1 . . . . 84 ARG CA . 18448 1 269 . 1 1 84 84 ARG CB C 13 35.102 0.414 . 1 . . . . 84 ARG CB . 18448 1 270 . 1 1 84 84 ARG N N 15 114.01 0.095 . 1 . . . . 84 ARG N . 18448 1 271 . 1 1 85 85 VAL H H 1 8.944 0.007 . 1 . . . . 85 VAL H . 18448 1 272 . 1 1 85 85 VAL CA C 13 62.722 0.414 . 1 . . . . 85 VAL CA . 18448 1 273 . 1 1 85 85 VAL CB C 13 32.368 0.414 . 1 . . . . 85 VAL CB . 18448 1 274 . 1 1 85 85 VAL N N 15 123.38 0.095 . 1 . . . . 85 VAL N . 18448 1 275 . 1 1 86 86 PHE H H 1 9.46 0.007 . 1 . . . . 86 PHE H . 18448 1 276 . 1 1 86 86 PHE CA C 13 56.729 0.414 . 1 . . . . 86 PHE CA . 18448 1 277 . 1 1 86 86 PHE CB C 13 43.788 0.414 . 1 . . . . 86 PHE CB . 18448 1 278 . 1 1 86 86 PHE N N 15 124.04 0.095 . 1 . . . . 86 PHE N . 18448 1 279 . 1 1 87 87 LEU H H 1 9.095 0.007 . 1 . . . . 87 LEU H . 18448 1 280 . 1 1 87 87 LEU CA C 13 52.786 0.414 . 1 . . . . 87 LEU CA . 18448 1 281 . 1 1 87 87 LEU CB C 13 46.726 0.414 . 1 . . . . 87 LEU CB . 18448 1 282 . 1 1 87 87 LEU N N 15 123 0.095 . 1 . . . . 87 LEU N . 18448 1 283 . 1 1 88 88 ILE H H 1 9.377 0.007 . 1 . . . . 88 ILE H . 18448 1 284 . 1 1 88 88 ILE CA C 13 60.074 0.414 . 1 . . . . 88 ILE CA . 18448 1 285 . 1 1 88 88 ILE CB C 13 41.361 0.414 . 1 . . . . 88 ILE CB . 18448 1 286 . 1 1 88 88 ILE N N 15 123.24 0.095 . 1 . . . . 88 ILE N . 18448 1 287 . 1 1 89 89 ASP H H 1 9.987 0.007 . 1 . . . . 89 ASP H . 18448 1 288 . 1 1 89 89 ASP CA C 13 55.009 0.414 . 1 . . . . 89 ASP CA . 18448 1 289 . 1 1 89 89 ASP CB C 13 43.945 0.414 . 1 . . . . 89 ASP CB . 18448 1 290 . 1 1 89 89 ASP N N 15 128.2 0.095 . 1 . . . . 89 ASP N . 18448 1 291 . 1 1 90 90 LEU H H 1 8.283 0.007 . 1 . . . . 90 LEU H . 18448 1 292 . 1 1 90 90 LEU CA C 13 52.562 0.414 . 1 . . . . 90 LEU CA . 18448 1 293 . 1 1 90 90 LEU CB C 13 37.576 0.414 . 1 . . . . 90 LEU CB . 18448 1 294 . 1 1 90 90 LEU N N 15 129.34 0.095 . 1 . . . . 90 LEU N . 18448 1 295 . 1 1 91 91 ASN H H 1 7.559 0.007 . 1 . . . . 91 ASN H . 18448 1 296 . 1 1 91 91 ASN CA C 13 53.385 0.414 . 1 . . . . 91 ASN CA . 18448 1 297 . 1 1 91 91 ASN CB C 13 37.314 0.414 . 1 . . . . 91 ASN CB . 18448 1 298 . 1 1 91 91 ASN N N 15 118.01 0.095 . 1 . . . . 91 ASN N . 18448 1 299 . 1 1 92 92 SER H H 1 8.363 0.007 . 1 . . . . 92 SER H . 18448 1 300 . 1 1 92 92 SER CA C 13 59.013 0.414 . 1 . . . . 92 SER CA . 18448 1 301 . 1 1 92 92 SER CB C 13 60.585 0.414 . 1 . . . . 92 SER CB . 18448 1 302 . 1 1 92 92 SER N N 15 116.82 0.095 . 1 . . . . 92 SER N . 18448 1 303 . 1 1 93 93 THR H H 1 7.031 0.007 . 1 . . . . 93 THR H . 18448 1 304 . 1 1 93 93 THR CA C 13 66.219 0.414 . 1 . . . . 93 THR CA . 18448 1 305 . 1 1 93 93 THR CB C 13 68.952 0.414 . 1 . . . . 93 THR CB . 18448 1 306 . 1 1 93 93 THR N N 15 117.57 0.095 . 1 . . . . 93 THR N . 18448 1 307 . 1 1 94 94 HIS H H 1 9.453 0.007 . 1 . . . . 94 HIS H . 18448 1 308 . 1 1 94 94 HIS CA C 13 56.729 0.414 . 1 . . . . 94 HIS CA . 18448 1 309 . 1 1 94 94 HIS CB C 13 30.44 0.414 . 1 . . . . 94 HIS CB . 18448 1 310 . 1 1 94 94 HIS N N 15 115.87 0.095 . 1 . . . . 94 HIS N . 18448 1 311 . 1 1 95 95 GLY H H 1 7.233 0.007 . 1 . . . . 95 GLY H . 18448 1 312 . 1 1 95 95 GLY CA C 13 45.2 0.414 . 1 . . . . 95 GLY CA . 18448 1 313 . 1 1 95 95 GLY N N 15 108.49 0.095 . 1 . . . . 95 GLY N . 18448 1 314 . 1 1 96 96 THR H H 1 8.204 0.007 . 1 . . . . 96 THR H . 18448 1 315 . 1 1 96 96 THR CA C 13 63.772 0.414 . 1 . . . . 96 THR CA . 18448 1 316 . 1 1 96 96 THR CB C 13 69.719 0.414 . 1 . . . . 96 THR CB . 18448 1 317 . 1 1 96 96 THR N N 15 122.3 0.095 . 1 . . . . 96 THR N . 18448 1 318 . 1 1 97 97 PHE H H 1 8.735 0.007 . 1 . . . . 97 PHE H . 18448 1 319 . 1 1 97 97 PHE CA C 13 56.915 0.414 . 1 . . . . 97 PHE CA . 18448 1 320 . 1 1 97 97 PHE CB C 13 41.784 0.414 . 1 . . . . 97 PHE CB . 18448 1 321 . 1 1 97 97 PHE N N 15 123.85 0.095 . 1 . . . . 97 PHE N . 18448 1 322 . 1 1 98 98 LEU H H 1 8.493 0.007 . 1 . . . . 98 LEU H . 18448 1 323 . 1 1 98 98 LEU CA C 13 52.655 0.414 . 1 . . . . 98 LEU CA . 18448 1 324 . 1 1 98 98 LEU CB C 13 43.724 0.414 . 1 . . . . 98 LEU CB . 18448 1 325 . 1 1 98 98 LEU N N 15 123.19 0.095 . 1 . . . . 98 LEU N . 18448 1 326 . 1 1 99 99 GLY H H 1 8.484 0.007 . 1 . . . . 99 GLY H . 18448 1 327 . 1 1 99 99 GLY CA C 13 47.403 0.414 . 1 . . . . 99 GLY CA . 18448 1 328 . 1 1 99 99 GLY N N 15 117.66 0.095 . 1 . . . . 99 GLY N . 18448 1 329 . 1 1 100 100 HIS H H 1 8.772 0.007 . 1 . . . . 100 HIS H . 18448 1 330 . 1 1 100 100 HIS CA C 13 55.914 0.414 . 1 . . . . 100 HIS CA . 18448 1 331 . 1 1 100 100 HIS CB C 13 28.971 0.414 . 1 . . . . 100 HIS CB . 18448 1 332 . 1 1 100 100 HIS N N 15 122.73 0.095 . 1 . . . . 100 HIS N . 18448 1 333 . 1 1 101 101 ILE H H 1 8.08 0.007 . 1 . . . . 101 ILE H . 18448 1 334 . 1 1 101 101 ILE CA C 13 60.658 0.414 . 1 . . . . 101 ILE CA . 18448 1 335 . 1 1 101 101 ILE CB C 13 38.184 0.414 . 1 . . . . 101 ILE CB . 18448 1 336 . 1 1 101 101 ILE N N 15 123.05 0.095 . 1 . . . . 101 ILE N . 18448 1 337 . 1 1 102 102 ARG H H 1 8.564 0.007 . 1 . . . . 102 ARG H . 18448 1 338 . 1 1 102 102 ARG CA C 13 55.617 0.414 . 1 . . . . 102 ARG CA . 18448 1 339 . 1 1 102 102 ARG CB C 13 30.792 0.414 . 1 . . . . 102 ARG CB . 18448 1 340 . 1 1 102 102 ARG N N 15 129.31 0.095 . 1 . . . . 102 ARG N . 18448 1 341 . 1 1 103 103 LEU H H 1 8.569 0.007 . 1 . . . . 103 LEU H . 18448 1 342 . 1 1 103 103 LEU CA C 13 56.298 0.414 . 1 . . . . 103 LEU CA . 18448 1 343 . 1 1 103 103 LEU CB C 13 40.84 0.414 . 1 . . . . 103 LEU CB . 18448 1 344 . 1 1 103 103 LEU N N 15 130.03 0.095 . 1 . . . . 103 LEU N . 18448 1 345 . 1 1 104 104 GLU H H 1 9.012 0.007 . 1 . . . . 104 GLU H . 18448 1 346 . 1 1 104 104 GLU CA C 13 53.82 0.414 . 1 . . . . 104 GLU CA . 18448 1 347 . 1 1 104 104 GLU CB C 13 29.929 0.414 . 1 . . . . 104 GLU CB . 18448 1 348 . 1 1 104 104 GLU N N 15 123.19 0.095 . 1 . . . . 104 GLU N . 18448 1 349 . 1 1 105 105 PRO CA C 13 63.826 0.414 . 1 . . . . 105 PRO CA . 18448 1 350 . 1 1 105 105 PRO CB C 13 32.472 0.414 . 1 . . . . 105 PRO CB . 18448 1 351 . 1 1 106 106 HIS H H 1 9.088 0.007 . 1 . . . . 106 HIS H . 18448 1 352 . 1 1 106 106 HIS CA C 13 59.122 0.414 . 1 . . . . 106 HIS CA . 18448 1 353 . 1 1 106 106 HIS CB C 13 27.949 0.414 . 1 . . . . 106 HIS CB . 18448 1 354 . 1 1 106 106 HIS N N 15 114.2 0.095 . 1 . . . . 106 HIS N . 18448 1 355 . 1 1 107 107 LYS H H 1 7.657 0.007 . 1 . . . . 107 LYS H . 18448 1 356 . 1 1 107 107 LYS CA C 13 53.2 0.414 . 1 . . . . 107 LYS CA . 18448 1 357 . 1 1 107 107 LYS CB C 13 33.06 0.414 . 1 . . . . 107 LYS CB . 18448 1 358 . 1 1 107 107 LYS N N 15 121.82 0.095 . 1 . . . . 107 LYS N . 18448 1 359 . 1 1 108 108 PRO CA C 13 63.873 0.414 . 1 . . . . 108 PRO CA . 18448 1 360 . 1 1 108 108 PRO CB C 13 32.508 0.414 . 1 . . . . 108 PRO CB . 18448 1 361 . 1 1 109 109 GLN H H 1 9.188 0.007 . 1 . . . . 109 GLN H . 18448 1 362 . 1 1 109 109 GLN CA C 13 53.383 0.414 . 1 . . . . 109 GLN CA . 18448 1 363 . 1 1 109 109 GLN CB C 13 31.368 0.414 . 1 . . . . 109 GLN CB . 18448 1 364 . 1 1 109 109 GLN N N 15 126.74 0.095 . 1 . . . . 109 GLN N . 18448 1 365 . 1 1 110 110 GLN H H 1 8.873 0.007 . 1 . . . . 110 GLN H . 18448 1 366 . 1 1 110 110 GLN CA C 13 56.328 0.414 . 1 . . . . 110 GLN CA . 18448 1 367 . 1 1 110 110 GLN CB C 13 28.04 0.414 . 1 . . . . 110 GLN CB . 18448 1 368 . 1 1 110 110 GLN N N 15 130.06 0.095 . 1 . . . . 110 GLN N . 18448 1 369 . 1 1 111 111 ILE H H 1 8.45 0.007 . 1 . . . . 111 ILE H . 18448 1 370 . 1 1 111 111 ILE CA C 13 55.5 0.414 . 1 . . . . 111 ILE CA . 18448 1 371 . 1 1 111 111 ILE CB C 13 35.276 0.414 . 1 . . . . 111 ILE CB . 18448 1 372 . 1 1 111 111 ILE N N 15 125.46 0.095 . 1 . . . . 111 ILE N . 18448 1 373 . 1 1 112 112 PRO CA C 13 62.073 0.414 . 1 . . . . 112 PRO CA . 18448 1 374 . 1 1 112 112 PRO CB C 13 31.835 0.414 . 1 . . . . 112 PRO CB . 18448 1 375 . 1 1 113 113 ILE H H 1 8.319 0.007 . 1 . . . . 113 ILE H . 18448 1 376 . 1 1 113 113 ILE CA C 13 61.923 0.414 . 1 . . . . 113 ILE CA . 18448 1 377 . 1 1 113 113 ILE CB C 13 35.207 0.414 . 1 . . . . 113 ILE CB . 18448 1 378 . 1 1 113 113 ILE N N 15 122.76 0.095 . 1 . . . . 113 ILE N . 18448 1 379 . 1 1 114 114 ASP H H 1 8.889 0.007 . 1 . . . . 114 ASP H . 18448 1 380 . 1 1 114 114 ASP CA C 13 57.355 0.414 . 1 . . . . 114 ASP CA . 18448 1 381 . 1 1 114 114 ASP CB C 13 38.078 0.414 . 1 . . . . 114 ASP CB . 18448 1 382 . 1 1 114 114 ASP N N 15 121.06 0.095 . 1 . . . . 114 ASP N . 18448 1 383 . 1 1 115 115 SER H H 1 7.787 0.007 . 1 . . . . 115 SER H . 18448 1 384 . 1 1 115 115 SER CA C 13 59.639 0.414 . 1 . . . . 115 SER CA . 18448 1 385 . 1 1 115 115 SER CB C 13 64.143 0.414 . 1 . . . . 115 SER CB . 18448 1 386 . 1 1 115 115 SER N N 15 115.96 0.095 . 1 . . . . 115 SER N . 18448 1 387 . 1 1 116 116 THR H H 1 7.969 0.007 . 1 . . . . 116 THR H . 18448 1 388 . 1 1 116 116 THR CA C 13 62.358 0.414 . 1 . . . . 116 THR CA . 18448 1 389 . 1 1 116 116 THR CB C 13 71.124 0.414 . 1 . . . . 116 THR CB . 18448 1 390 . 1 1 116 116 THR N N 15 115.99 0.095 . 1 . . . . 116 THR N . 18448 1 391 . 1 1 117 117 VAL H H 1 9.206 0.007 . 1 . . . . 117 VAL H . 18448 1 392 . 1 1 117 117 VAL CA C 13 58.198 0.414 . 1 . . . . 117 VAL CA . 18448 1 393 . 1 1 117 117 VAL CB C 13 34.527 0.414 . 1 . . . . 117 VAL CB . 18448 1 394 . 1 1 117 117 VAL N N 15 123.02 0.095 . 1 . . . . 117 VAL N . 18448 1 395 . 1 1 118 118 SER H H 1 8.414 0.007 . 1 . . . . 118 SER H . 18448 1 396 . 1 1 118 118 SER CA C 13 57.572 0.414 . 1 . . . . 118 SER CA . 18448 1 397 . 1 1 118 118 SER CB C 13 65.811 0.414 . 1 . . . . 118 SER CB . 18448 1 398 . 1 1 118 118 SER N N 15 113.79 0.095 . 1 . . . . 118 SER N . 18448 1 399 . 1 1 119 119 PHE H H 1 8.979 0.007 . 1 . . . . 119 PHE H . 18448 1 400 . 1 1 119 119 PHE CA C 13 56.512 0.414 . 1 . . . . 119 PHE CA . 18448 1 401 . 1 1 119 119 PHE CB C 13 42.064 0.414 . 1 . . . . 119 PHE CB . 18448 1 402 . 1 1 119 119 PHE N N 15 118.05 0.095 . 1 . . . . 119 PHE N . 18448 1 403 . 1 1 120 120 GLY H H 1 9.285 0.007 . 1 . . . . 120 GLY H . 18448 1 404 . 1 1 120 120 GLY CA C 13 46.804 0.414 . 1 . . . . 120 GLY CA . 18448 1 405 . 1 1 120 120 GLY N N 15 110.86 0.095 . 1 . . . . 120 GLY N . 18448 1 406 . 1 1 121 121 ALA H H 1 8.994 0.007 . 1 . . . . 121 ALA H . 18448 1 407 . 1 1 121 121 ALA CA C 13 50.113 0.414 . 1 . . . . 121 ALA CA . 18448 1 408 . 1 1 121 121 ALA CB C 13 18.504 0.414 . 1 . . . . 121 ALA CB . 18448 1 409 . 1 1 121 121 ALA N N 15 127.31 0.095 . 1 . . . . 121 ALA N . 18448 1 410 . 1 1 122 122 SER H H 1 7.353 0.007 . 1 . . . . 122 SER H . 18448 1 411 . 1 1 122 122 SER CA C 13 58.143 0.414 . 1 . . . . 122 SER CA . 18448 1 412 . 1 1 122 122 SER CB C 13 62.757 0.414 . 1 . . . . 122 SER CB . 18448 1 413 . 1 1 122 122 SER N N 15 112.91 0.095 . 1 . . . . 122 SER N . 18448 1 414 . 1 1 123 123 THR H H 1 8.214 0.007 . 1 . . . . 123 THR H . 18448 1 415 . 1 1 123 123 THR CA C 13 61.923 0.414 . 1 . . . . 123 THR CA . 18448 1 416 . 1 1 123 123 THR CB C 13 68.697 0.414 . 1 . . . . 123 THR CB . 18448 1 417 . 1 1 123 123 THR N N 15 116.62 0.095 . 1 . . . . 123 THR N . 18448 1 418 . 1 1 124 124 ARG H H 1 7.489 0.007 . 1 . . . . 124 ARG H . 18448 1 419 . 1 1 124 124 ARG CA C 13 56.838 0.414 . 1 . . . . 124 ARG CA . 18448 1 420 . 1 1 124 124 ARG CB C 13 31.973 0.414 . 1 . . . . 124 ARG CB . 18448 1 421 . 1 1 124 124 ARG N N 15 121.35 0.095 . 1 . . . . 124 ARG N . 18448 1 422 . 1 1 125 125 ALA H H 1 8.73 0.007 . 1 . . . . 125 ALA H . 18448 1 423 . 1 1 125 125 ALA CA C 13 50.93 0.414 . 1 . . . . 125 ALA CA . 18448 1 424 . 1 1 125 125 ALA CB C 13 21.384 0.414 . 1 . . . . 125 ALA CB . 18448 1 425 . 1 1 125 125 ALA N N 15 128.02 0.095 . 1 . . . . 125 ALA N . 18448 1 426 . 1 1 126 126 TYR H H 1 8.713 0.007 . 1 . . . . 126 TYR H . 18448 1 427 . 1 1 126 126 TYR CA C 13 56.561 0.414 . 1 . . . . 126 TYR CA . 18448 1 428 . 1 1 126 126 TYR CB C 13 39.361 0.414 . 1 . . . . 126 TYR CB . 18448 1 429 . 1 1 126 126 TYR N N 15 121.35 0.095 . 1 . . . . 126 TYR N . 18448 1 430 . 1 1 127 127 THR H H 1 9.329 0.007 . 1 . . . . 127 THR H . 18448 1 431 . 1 1 127 127 THR CA C 13 61.352 0.414 . 1 . . . . 127 THR CA . 18448 1 432 . 1 1 127 127 THR CB C 13 70.613 0.414 . 1 . . . . 127 THR CB . 18448 1 433 . 1 1 127 127 THR N N 15 121.62 0.095 . 1 . . . . 127 THR N . 18448 1 434 . 1 1 128 128 LEU H H 1 8.115 0.007 . 1 . . . . 128 LEU H . 18448 1 435 . 1 1 128 128 LEU CA C 13 55.699 0.414 . 1 . . . . 128 LEU CA . 18448 1 436 . 1 1 128 128 LEU CB C 13 42.504 0.414 . 1 . . . . 128 LEU CB . 18448 1 437 . 1 1 128 128 LEU N N 15 129.71 0.095 . 1 . . . . 128 LEU N . 18448 1 438 . 1 1 129 129 ARG H H 1 8.794 0.007 . 1 . . . . 129 ARG H . 18448 1 439 . 1 1 129 129 ARG CA C 13 52.788 0.414 . 1 . . . . 129 ARG CA . 18448 1 440 . 1 1 129 129 ARG CB C 13 33.891 0.414 . 1 . . . . 129 ARG CB . 18448 1 441 . 1 1 129 129 ARG N N 15 125.56 0.095 . 1 . . . . 129 ARG N . 18448 1 442 . 1 1 130 130 GLU H H 1 8.019 0.007 . 1 . . . . 130 GLU H . 18448 1 443 . 1 1 130 130 GLU CA C 13 54.119 0.414 . 1 . . . . 130 GLU CA . 18448 1 444 . 1 1 130 130 GLU CB C 13 32.484 0.414 . 1 . . . . 130 GLU CB . 18448 1 445 . 1 1 130 130 GLU N N 15 116.58 0.095 . 1 . . . . 130 GLU N . 18448 1 446 . 1 1 131 131 LYS H H 1 8.456 0.007 . 1 . . . . 131 LYS H . 18448 1 447 . 1 1 131 131 LYS CA C 13 54.391 0.414 . 1 . . . . 131 LYS CA . 18448 1 448 . 1 1 131 131 LYS CB C 13 33.129 0.414 . 1 . . . . 131 LYS CB . 18448 1 449 . 1 1 131 131 LYS N N 15 122.69 0.095 . 1 . . . . 131 LYS N . 18448 1 450 . 1 1 132 132 PRO CA C 13 63.134 0.414 . 1 . . . . 132 PRO CA . 18448 1 451 . 1 1 132 132 PRO CB C 13 32.007 0.414 . 1 . . . . 132 PRO CB . 18448 1 452 . 1 1 133 133 GLN H H 1 8.547 0.007 . 1 . . . . 133 GLN H . 18448 1 453 . 1 1 133 133 GLN CA C 13 55.706 0.414 . 1 . . . . 133 GLN CA . 18448 1 454 . 1 1 133 133 GLN CB C 13 29.46 0.414 . 1 . . . . 133 GLN CB . 18448 1 455 . 1 1 133 133 GLN N N 15 121.55 0.095 . 1 . . . . 133 GLN N . 18448 1 456 . 1 1 134 134 THR H H 1 8.131 0.007 . 1 . . . . 134 THR H . 18448 1 457 . 1 1 134 134 THR CA C 13 61.705 0.414 . 1 . . . . 134 THR CA . 18448 1 458 . 1 1 134 134 THR CB C 13 69.91 0.414 . 1 . . . . 134 THR CB . 18448 1 459 . 1 1 134 134 THR N N 15 116.58 0.095 . 1 . . . . 134 THR N . 18448 1 460 . 1 1 135 135 LEU H H 1 8.315 0.007 . 1 . . . . 135 LEU H . 18448 1 461 . 1 1 135 135 LEU CA C 13 52.994 0.414 . 1 . . . . 135 LEU CA . 18448 1 462 . 1 1 135 135 LEU CB C 13 41.784 0.414 . 1 . . . . 135 LEU CB . 18448 1 463 . 1 1 135 135 LEU N N 15 126.6 0.095 . 1 . . . . 135 LEU N . 18448 1 464 . 1 1 136 136 PRO CA C 13 63.137 0.414 . 1 . . . . 136 PRO CA . 18448 1 465 . 1 1 136 136 PRO CB C 13 31.884 0.414 . 1 . . . . 136 PRO CB . 18448 1 466 . 1 1 137 137 SER H H 1 8.183 0.007 . 1 . . . . 137 SER H . 18448 1 467 . 1 1 137 137 SER CA C 13 58.17 0.414 . 1 . . . . 137 SER CA . 18448 1 468 . 1 1 137 137 SER CB C 13 63.843 0.414 . 1 . . . . 137 SER CB . 18448 1 469 . 1 1 137 137 SER N N 15 115.45 0.095 . 1 . . . . 137 SER N . 18448 1 470 . 1 1 138 138 ALA H H 1 8.219 0.007 . 1 . . . . 138 ALA H . 18448 1 471 . 1 1 138 138 ALA CA C 13 52.375 0.414 . 1 . . . . 138 ALA CA . 18448 1 472 . 1 1 138 138 ALA CB C 13 19.282 0.414 . 1 . . . . 138 ALA CB . 18448 1 473 . 1 1 138 138 ALA N N 15 126.08 0.095 . 1 . . . . 138 ALA N . 18448 1 474 . 1 1 139 139 VAL H H 1 7.974 0.007 . 1 . . . . 139 VAL H . 18448 1 475 . 1 1 139 139 VAL CA C 13 62.14 0.414 . 1 . . . . 139 VAL CA . 18448 1 476 . 1 1 139 139 VAL CB C 13 32.739 0.414 . 1 . . . . 139 VAL CB . 18448 1 477 . 1 1 139 139 VAL N N 15 119.57 0.095 . 1 . . . . 139 VAL N . 18448 1 478 . 1 1 140 140 LYS H H 1 8.421 0.007 . 1 . . . . 140 LYS H . 18448 1 479 . 1 1 140 140 LYS CA C 13 56.502 0.414 . 1 . . . . 140 LYS CA . 18448 1 480 . 1 1 140 140 LYS CB C 13 32.838 0.414 . 1 . . . . 140 LYS CB . 18448 1 481 . 1 1 140 140 LYS N N 15 125.88 0.095 . 1 . . . . 140 LYS N . 18448 1 482 . 1 1 141 141 GLY H H 1 8.414 0.007 . 1 . . . . 141 GLY H . 18448 1 483 . 1 1 141 141 GLY CA C 13 45.254 0.414 . 1 . . . . 141 GLY CA . 18448 1 484 . 1 1 141 141 GLY N N 15 110.75 0.095 . 1 . . . . 141 GLY N . 18448 1 485 . 1 1 142 142 ASP H H 1 8.152 0.007 . 1 . . . . 142 ASP H . 18448 1 486 . 1 1 142 142 ASP CA C 13 54.119 0.414 . 1 . . . . 142 ASP CA . 18448 1 487 . 1 1 142 142 ASP CB C 13 40.914 0.414 . 1 . . . . 142 ASP CB . 18448 1 488 . 1 1 142 142 ASP N N 15 120.3 0.095 . 1 . . . . 142 ASP N . 18448 1 489 . 1 1 143 143 GLU H H 1 8.35 0.007 . 1 . . . . 143 GLU H . 18448 1 490 . 1 1 143 143 GLU CA C 13 56.945 0.414 . 1 . . . . 143 GLU CA . 18448 1 491 . 1 1 143 143 GLU CB C 13 29.929 0.414 . 1 . . . . 143 GLU CB . 18448 1 492 . 1 1 143 143 GLU N N 15 121.12 0.095 . 1 . . . . 143 GLU N . 18448 1 493 . 1 1 144 144 LYS H H 1 8.238 0.007 . 1 . . . . 144 LYS H . 18448 1 494 . 1 1 144 144 LYS CA C 13 56.119 0.414 . 1 . . . . 144 LYS CA . 18448 1 495 . 1 1 144 144 LYS CB C 13 32.645 0.414 . 1 . . . . 144 LYS CB . 18448 1 496 . 1 1 144 144 LYS N N 15 122.49 0.095 . 1 . . . . 144 LYS N . 18448 1 497 . 1 1 145 145 MET H H 1 7.887 0.007 . 1 . . . . 145 MET H . 18448 1 498 . 1 1 145 145 MET CA C 13 56.925 0.414 . 1 . . . . 145 MET CA . 18448 1 499 . 1 1 145 145 MET CB C 13 33.544 0.414 . 1 . . . . 145 MET CB . 18448 1 500 . 1 1 145 145 MET N N 15 127.11 0.095 . 1 . . . . 145 MET N . 18448 1 stop_ save_