################################### # 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 27014 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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 [15N,1H]-HSQC' . . . 27014 1 2 '3D HNCA' . . . 27014 1 3 '3D CBCA(CO)NH' . . . 27014 1 4 '3D HNCACB' . . . 27014 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.Ambiguity_set_ID _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 8 8 SER CA C 13 58.213 0.3 . 1 . . . . . 8 SER CA . 27014 1 2 . 1 1 8 8 SER CB C 13 63.556 0.3 . 1 . . . . . 8 SER CB . 27014 1 3 . 1 1 9 9 SER H H 1 8.513 0.02 . 1 . . . . . 9 SER H . 27014 1 4 . 1 1 9 9 SER CA C 13 58.516 0.3 . 1 . . . . . 9 SER CA . 27014 1 5 . 1 1 9 9 SER CB C 13 63.824 0.3 . 1 . . . . . 9 SER CB . 27014 1 6 . 1 1 9 9 SER N N 15 118.339 0.25 . 1 . . . . . 9 SER N . 27014 1 7 . 1 1 10 10 GLY H H 1 8.432 0.02 . 1 . . . . . 10 GLY H . 27014 1 8 . 1 1 10 10 GLY CA C 13 45.345 0.3 . 1 . . . . . 10 GLY CA . 27014 1 9 . 1 1 10 10 GLY N N 15 111.168 0.25 . 1 . . . . . 10 GLY N . 27014 1 10 . 1 1 11 11 VAL H H 1 7.885 0.02 . 1 . . . . . 11 VAL H . 27014 1 11 . 1 1 11 11 VAL CA C 13 61.921 0.3 . 1 . . . . . 11 VAL CA . 27014 1 12 . 1 1 11 11 VAL CB C 13 32.729 0.3 . 1 . . . . . 11 VAL CB . 27014 1 13 . 1 1 11 11 VAL N N 15 119.113 0.25 . 1 . . . . . 11 VAL N . 27014 1 14 . 1 1 12 12 ASP H H 1 8.393 0.02 . 1 . . . . . 12 ASP H . 27014 1 15 . 1 1 12 12 ASP CA C 13 54.100 0.3 . 1 . . . . . 12 ASP CA . 27014 1 16 . 1 1 12 12 ASP CB C 13 41.090 0.3 . 1 . . . . . 12 ASP CB . 27014 1 17 . 1 1 12 12 ASP N N 15 124.218 0.25 . 1 . . . . . 12 ASP N . 27014 1 18 . 1 1 13 13 LEU H H 1 8.344 0.02 . 1 . . . . . 13 LEU H . 27014 1 19 . 1 1 13 13 LEU CA C 13 55.395 0.3 . 1 . . . . . 13 LEU CA . 27014 1 20 . 1 1 13 13 LEU CB C 13 42.143 0.3 . 1 . . . . . 13 LEU CB . 27014 1 21 . 1 1 13 13 LEU N N 15 124.092 0.25 . 1 . . . . . 13 LEU N . 27014 1 22 . 1 1 14 14 GLY H H 1 8.540 0.02 . 1 . . . . . 14 GLY H . 27014 1 23 . 1 1 14 14 GLY CA C 13 45.518 0.3 . 1 . . . . . 14 GLY CA . 27014 1 24 . 1 1 14 14 GLY N N 15 109.654 0.25 . 1 . . . . . 14 GLY N . 27014 1 25 . 1 1 15 15 THR H H 1 7.967 0.02 . 1 . . . . . 15 THR H . 27014 1 26 . 1 1 15 15 THR CA C 13 61.937 0.3 . 1 . . . . . 15 THR CA . 27014 1 27 . 1 1 15 15 THR CB C 13 69.507 0.3 . 1 . . . . . 15 THR CB . 27014 1 28 . 1 1 15 15 THR N N 15 113.173 0.25 . 1 . . . . . 15 THR N . 27014 1 29 . 1 1 16 16 GLU H H 1 8.526 0.02 . 1 . . . . . 16 GLU H . 27014 1 30 . 1 1 16 16 GLU CA C 13 56.937 0.3 . 1 . . . . . 16 GLU CA . 27014 1 31 . 1 1 16 16 GLU CB C 13 29.940 0.3 . 1 . . . . . 16 GLU CB . 27014 1 32 . 1 1 16 16 GLU N N 15 123.105 0.25 . 1 . . . . . 16 GLU N . 27014 1 33 . 1 1 17 17 ASN H H 1 8.360 0.02 . 1 . . . . . 17 ASN H . 27014 1 34 . 1 1 17 17 ASN CA C 13 53.169 0.3 . 1 . . . . . 17 ASN CA . 27014 1 35 . 1 1 17 17 ASN CB C 13 38.721 0.3 . 1 . . . . . 17 ASN CB . 27014 1 36 . 1 1 17 17 ASN N N 15 119.408 0.25 . 1 . . . . . 17 ASN N . 27014 1 37 . 1 1 18 18 LEU H H 1 8.035 0.02 . 1 . . . . . 18 LEU H . 27014 1 38 . 1 1 18 18 LEU CA C 13 55.189 0.3 . 1 . . . . . 18 LEU CA . 27014 1 39 . 1 1 18 18 LEU CB C 13 42.194 0.3 . 1 . . . . . 18 LEU CB . 27014 1 40 . 1 1 18 18 LEU N N 15 122.461 0.25 . 1 . . . . . 18 LEU N . 27014 1 41 . 1 1 19 19 TYR H H 1 7.943 0.02 . 1 . . . . . 19 TYR H . 27014 1 42 . 1 1 19 19 TYR CA C 13 57.567 0.3 . 1 . . . . . 19 TYR CA . 27014 1 43 . 1 1 19 19 TYR CB C 13 38.647 0.3 . 1 . . . . . 19 TYR CB . 27014 1 44 . 1 1 19 19 TYR N N 15 120.524 0.25 . 1 . . . . . 19 TYR N . 27014 1 45 . 1 1 20 20 PHE H H 1 8.005 0.02 . 1 . . . . . 20 PHE H . 27014 1 46 . 1 1 20 20 PHE CA C 13 57.879 0.3 . 1 . . . . . 20 PHE CA . 27014 1 47 . 1 1 20 20 PHE CB C 13 39.892 0.3 . 1 . . . . . 20 PHE CB . 27014 1 48 . 1 1 20 20 PHE N N 15 122.340 0.25 . 1 . . . . . 20 PHE N . 27014 1 49 . 1 1 21 21 GLN H H 1 7.917 0.02 . 1 . . . . . 21 GLN H . 27014 1 50 . 1 1 21 21 GLN CA C 13 55.190 0.3 . 1 . . . . . 21 GLN CA . 27014 1 51 . 1 1 21 21 GLN CB C 13 30.013 0.3 . 1 . . . . . 21 GLN CB . 27014 1 52 . 1 1 21 21 GLN N N 15 123.825 0.25 . 1 . . . . . 21 GLN N . 27014 1 53 . 1 1 22 22 SER H H 1 8.164 0.02 . 1 . . . . . 22 SER H . 27014 1 54 . 1 1 22 22 SER CA C 13 58.394 0.3 . 1 . . . . . 22 SER CA . 27014 1 55 . 1 1 22 22 SER CB C 13 63.710 0.3 . 1 . . . . . 22 SER CB . 27014 1 56 . 1 1 22 22 SER N N 15 118.030 0.25 . 1 . . . . . 22 SER N . 27014 1 57 . 1 1 23 23 ASN H H 1 8.510 0.02 . 1 . . . . . 23 ASN H . 27014 1 58 . 1 1 23 23 ASN CA C 13 53.517 0.3 . 1 . . . . . 23 ASN CA . 27014 1 59 . 1 1 23 23 ASN CB C 13 38.804 0.3 . 1 . . . . . 23 ASN CB . 27014 1 60 . 1 1 23 23 ASN N N 15 120.922 0.25 . 1 . . . . . 23 ASN N . 27014 1 61 . 1 1 24 24 ALA H H 1 8.315 0.02 . 1 . . . . . 24 ALA H . 27014 1 62 . 1 1 24 24 ALA CA C 13 51.588 0.3 . 1 . . . . . 24 ALA CA . 27014 1 63 . 1 1 24 24 ALA CB C 13 18.809 0.3 . 1 . . . . . 24 ALA CB . 27014 1 64 . 1 1 24 24 ALA N N 15 125.463 0.25 . 1 . . . . . 24 ALA N . 27014 1 65 . 1 1 25 25 MET H H 1 7.697 0.02 . 1 . . . . . 25 MET H . 27014 1 66 . 1 1 25 25 MET CA C 13 55.703 0.3 . 1 . . . . . 25 MET CA . 27014 1 67 . 1 1 25 25 MET CB C 13 33.392 0.3 . 1 . . . . . 25 MET CB . 27014 1 68 . 1 1 25 25 MET N N 15 120.481 0.25 . 1 . . . . . 25 MET N . 27014 1 69 . 1 1 26 26 PHE H H 1 8.909 0.02 . 1 . . . . . 26 PHE H . 27014 1 70 . 1 1 26 26 PHE CA C 13 58.141 0.3 . 1 . . . . . 26 PHE CA . 27014 1 71 . 1 1 26 26 PHE CB C 13 42.446 0.3 . 1 . . . . . 26 PHE CB . 27014 1 72 . 1 1 26 26 PHE N N 15 124.198 0.25 . 1 . . . . . 26 PHE N . 27014 1 73 . 1 1 27 27 ALA H H 1 9.076 0.02 . 1 . . . . . 27 ALA H . 27014 1 74 . 1 1 27 27 ALA CA C 13 52.347 0.3 . 1 . . . . . 27 ALA CA . 27014 1 75 . 1 1 27 27 ALA CB C 13 20.810 0.3 . 1 . . . . . 27 ALA CB . 27014 1 76 . 1 1 27 27 ALA N N 15 121.856 0.25 . 1 . . . . . 27 ALA N . 27014 1 77 . 1 1 28 28 ASP H H 1 7.811 0.02 . 1 . . . . . 28 ASP H . 27014 1 78 . 1 1 28 28 ASP CA C 13 52.633 0.3 . 1 . . . . . 28 ASP CA . 27014 1 79 . 1 1 28 28 ASP CB C 13 43.413 0.3 . 1 . . . . . 28 ASP CB . 27014 1 80 . 1 1 28 28 ASP N N 15 121.790 0.25 . 1 . . . . . 28 ASP N . 27014 1 81 . 1 1 29 29 THR H H 1 9.172 0.02 . 1 . . . . . 29 THR H . 27014 1 82 . 1 1 29 29 THR CA C 13 65.748 0.3 . 1 . . . . . 29 THR CA . 27014 1 83 . 1 1 29 29 THR CB C 13 67.603 0.3 . 1 . . . . . 29 THR CB . 27014 1 84 . 1 1 29 29 THR N N 15 119.033 0.25 . 1 . . . . . 29 THR N . 27014 1 85 . 1 1 30 30 ALA H H 1 8.561 0.02 . 1 . . . . . 30 ALA H . 27014 1 86 . 1 1 30 30 ALA CA C 13 55.102 0.3 . 1 . . . . . 30 ALA CA . 27014 1 87 . 1 1 30 30 ALA CB C 13 17.550 0.3 . 1 . . . . . 30 ALA CB . 27014 1 88 . 1 1 30 30 ALA N N 15 127.775 0.25 . 1 . . . . . 30 ALA N . 27014 1 89 . 1 1 31 31 ALA H H 1 7.957 0.02 . 1 . . . . . 31 ALA H . 27014 1 90 . 1 1 31 31 ALA CA C 13 54.491 0.3 . 1 . . . . . 31 ALA CA . 27014 1 91 . 1 1 31 31 ALA CB C 13 18.019 0.3 . 1 . . . . . 31 ALA CB . 27014 1 92 . 1 1 31 31 ALA N N 15 123.786 0.25 . 1 . . . . . 31 ALA N . 27014 1 93 . 1 1 32 32 LEU H H 1 7.511 0.02 . 1 . . . . . 32 LEU H . 27014 1 94 . 1 1 32 32 LEU CA C 13 57.405 0.3 . 1 . . . . . 32 LEU CA . 27014 1 95 . 1 1 32 32 LEU CB C 13 41.527 0.3 . 1 . . . . . 32 LEU CB . 27014 1 96 . 1 1 32 32 LEU N N 15 120.734 0.25 . 1 . . . . . 32 LEU N . 27014 1 97 . 1 1 33 33 LYS H H 1 8.004 0.02 . 1 . . . . . 33 LYS H . 27014 1 98 . 1 1 33 33 LYS CA C 13 58.904 0.3 . 1 . . . . . 33 LYS CA . 27014 1 99 . 1 1 33 33 LYS CB C 13 28.109 0.3 . 1 . . . . . 33 LYS CB . 27014 1 100 . 1 1 33 33 LYS N N 15 118.735 0.25 . 1 . . . . . 33 LYS N . 27014 1 101 . 1 1 34 34 ALA H H 1 8.387 0.02 . 1 . . . . . 34 ALA H . 27014 1 102 . 1 1 34 34 ALA CA C 13 54.689 0.3 . 1 . . . . . 34 ALA CA . 27014 1 103 . 1 1 34 34 ALA CB C 13 17.643 0.3 . 1 . . . . . 34 ALA CB . 27014 1 104 . 1 1 34 34 ALA N N 15 121.333 0.25 . 1 . . . . . 34 ALA N . 27014 1 105 . 1 1 35 35 ALA H H 1 7.655 0.02 . 1 . . . . . 35 ALA H . 27014 1 106 . 1 1 35 35 ALA CA C 13 54.954 0.3 . 1 . . . . . 35 ALA CA . 27014 1 107 . 1 1 35 35 ALA CB C 13 19.046 0.3 . 1 . . . . . 35 ALA CB . 27014 1 108 . 1 1 35 35 ALA N N 15 122.568 0.25 . 1 . . . . . 35 ALA N . 27014 1 109 . 1 1 36 36 MET H H 1 8.263 0.02 . 1 . . . . . 36 MET H . 27014 1 110 . 1 1 36 36 MET CA C 13 59.959 0.3 . 1 . . . . . 36 MET CA . 27014 1 111 . 1 1 36 36 MET CB C 13 33.546 0.3 . 1 . . . . . 36 MET CB . 27014 1 112 . 1 1 36 36 MET N N 15 120.069 0.25 . 1 . . . . . 36 MET N . 27014 1 113 . 1 1 37 37 ASP H H 1 8.454 0.02 . 1 . . . . . 37 ASP H . 27014 1 114 . 1 1 37 37 ASP CA C 13 57.548 0.3 . 1 . . . . . 37 ASP CA . 27014 1 115 . 1 1 37 37 ASP CB C 13 40.502 0.3 . 1 . . . . . 37 ASP CB . 27014 1 116 . 1 1 37 37 ASP N N 15 119.105 0.25 . 1 . . . . . 37 ASP N . 27014 1 117 . 1 1 38 38 THR H H 1 8.102 0.02 . 1 . . . . . 38 THR H . 27014 1 118 . 1 1 38 38 THR CA C 13 67.044 0.3 . 1 . . . . . 38 THR CA . 27014 1 119 . 1 1 38 38 THR CB C 13 68.760 0.3 . 1 . . . . . 38 THR CB . 27014 1 120 . 1 1 38 38 THR N N 15 116.747 0.25 . 1 . . . . . 38 THR N . 27014 1 121 . 1 1 39 39 ALA H H 1 7.712 0.02 . 1 . . . . . 39 ALA H . 27014 1 122 . 1 1 39 39 ALA CA C 13 55.184 0.3 . 1 . . . . . 39 ALA CA . 27014 1 123 . 1 1 39 39 ALA CB C 13 17.748 0.3 . 1 . . . . . 39 ALA CB . 27014 1 124 . 1 1 39 39 ALA N N 15 124.083 0.25 . 1 . . . . . 39 ALA N . 27014 1 125 . 1 1 40 40 LEU H H 1 8.454 0.02 . 1 . . . . . 40 LEU H . 27014 1 126 . 1 1 40 40 LEU CA C 13 57.370 0.3 . 1 . . . . . 40 LEU CA . 27014 1 127 . 1 1 40 40 LEU CB C 13 42.118 0.3 . 1 . . . . . 40 LEU CB . 27014 1 128 . 1 1 40 40 LEU N N 15 122.061 0.25 . 1 . . . . . 40 LEU N . 27014 1 129 . 1 1 41 41 LYS H H 1 8.025 0.02 . 1 . . . . . 41 LYS H . 27014 1 130 . 1 1 41 41 LYS CA C 13 58.246 0.3 . 1 . . . . . 41 LYS CA . 27014 1 131 . 1 1 41 41 LYS CB C 13 32.510 0.3 . 1 . . . . . 41 LYS CB . 27014 1 132 . 1 1 41 41 LYS N N 15 118.970 0.25 . 1 . . . . . 41 LYS N . 27014 1 133 . 1 1 42 42 GLU H H 1 8.176 0.02 . 1 . . . . . 42 GLU H . 27014 1 134 . 1 1 42 42 GLU CA C 13 58.491 0.3 . 1 . . . . . 42 GLU CA . 27014 1 135 . 1 1 42 42 GLU CB C 13 30.179 0.3 . 1 . . . . . 42 GLU CB . 27014 1 136 . 1 1 42 42 GLU N N 15 118.266 0.25 . 1 . . . . . 42 GLU N . 27014 1 137 . 1 1 43 43 HIS H H 1 7.084 0.02 . 1 . . . . . 43 HIS H . 27014 1 138 . 1 1 43 43 HIS CA C 13 52.577 0.3 . 1 . . . . . 43 HIS CA . 27014 1 139 . 1 1 43 43 HIS CB C 13 30.078 0.3 . 1 . . . . . 43 HIS CB . 27014 1 140 . 1 1 43 43 HIS N N 15 111.270 0.25 . 1 . . . . . 43 HIS N . 27014 1 141 . 1 1 44 44 PRO CA C 13 64.549 0.3 . 1 . . . . . 44 PRO CA . 27014 1 142 . 1 1 44 44 PRO CB C 13 31.574 0.3 . 1 . . . . . 44 PRO CB . 27014 1 143 . 1 1 45 45 ASP H H 1 9.314 0.02 . 1 . . . . . 45 ASP H . 27014 1 144 . 1 1 45 45 ASP CA C 13 53.351 0.3 . 1 . . . . . 45 ASP CA . 27014 1 145 . 1 1 45 45 ASP CB C 13 39.409 0.3 . 1 . . . . . 45 ASP CB . 27014 1 146 . 1 1 45 45 ASP N N 15 115.829 0.25 . 1 . . . . . 45 ASP N . 27014 1 147 . 1 1 46 46 LYS H H 1 7.847 0.02 . 1 . . . . . 46 LYS H . 27014 1 148 . 1 1 46 46 LYS CA C 13 52.431 0.3 . 1 . . . . . 46 LYS CA . 27014 1 149 . 1 1 46 46 LYS CB C 13 34.242 0.3 . 1 . . . . . 46 LYS CB . 27014 1 150 . 1 1 46 46 LYS N N 15 121.088 0.25 . 1 . . . . . 46 LYS N . 27014 1 151 . 1 1 47 47 PRO CA C 13 62.935 0.3 . 1 . . . . . 47 PRO CA . 27014 1 152 . 1 1 47 47 PRO CB C 13 33.909 0.3 . 1 . . . . . 47 PRO CB . 27014 1 153 . 1 1 48 48 VAL H H 1 9.209 0.02 . 1 . . . . . 48 VAL H . 27014 1 154 . 1 1 48 48 VAL CA C 13 59.229 0.3 . 1 . . . . . 48 VAL CA . 27014 1 155 . 1 1 48 48 VAL CB C 13 34.013 0.3 . 1 . . . . . 48 VAL CB . 27014 1 156 . 1 1 48 48 VAL N N 15 115.479 0.25 . 1 . . . . . 48 VAL N . 27014 1 157 . 1 1 49 49 VAL H H 1 8.856 0.02 . 1 . . . . . 49 VAL H . 27014 1 158 . 1 1 49 49 VAL CA C 13 60.344 0.3 . 1 . . . . . 49 VAL CA . 27014 1 159 . 1 1 49 49 VAL CB C 13 34.928 0.3 . 1 . . . . . 49 VAL CB . 27014 1 160 . 1 1 49 49 VAL N N 15 121.707 0.25 . 1 . . . . . 49 VAL N . 27014 1 161 . 1 1 50 50 LEU H H 1 9.270 0.02 . 1 . . . . . 50 LEU H . 27014 1 162 . 1 1 50 50 LEU CA C 13 53.069 0.3 . 1 . . . . . 50 LEU CA . 27014 1 163 . 1 1 50 50 LEU CB C 13 45.547 0.3 . 1 . . . . . 50 LEU CB . 27014 1 164 . 1 1 50 50 LEU N N 15 128.849 0.25 . 1 . . . . . 50 LEU N . 27014 1 165 . 1 1 51 51 ASP H H 1 8.850 0.02 . 1 . . . . . 51 ASP H . 27014 1 166 . 1 1 51 51 ASP CA C 13 52.827 0.3 . 1 . . . . . 51 ASP CA . 27014 1 167 . 1 1 51 51 ASP CB C 13 46.590 0.3 . 1 . . . . . 51 ASP CB . 27014 1 168 . 1 1 51 51 ASP N N 15 127.630 0.25 . 1 . . . . . 51 ASP N . 27014 1 169 . 1 1 52 52 PHE H H 1 8.636 0.02 . 1 . . . . . 52 PHE H . 27014 1 170 . 1 1 52 52 PHE CA C 13 58.094 0.3 . 1 . . . . . 52 PHE CA . 27014 1 171 . 1 1 52 52 PHE CB C 13 40.617 0.3 . 1 . . . . . 52 PHE CB . 27014 1 172 . 1 1 52 52 PHE N N 15 124.012 0.25 . 1 . . . . . 52 PHE N . 27014 1 173 . 1 1 53 53 TYR H H 1 9.171 0.02 . 1 . . . . . 53 TYR H . 27014 1 174 . 1 1 53 53 TYR CA C 13 57.891 0.3 . 1 . . . . . 53 TYR CA . 27014 1 175 . 1 1 53 53 TYR CB C 13 41.892 0.3 . 1 . . . . . 53 TYR CB . 27014 1 176 . 1 1 53 53 TYR N N 15 126.565 0.25 . 1 . . . . . 53 TYR N . 27014 1 177 . 1 1 54 54 ALA H H 1 5.147 0.02 . 1 . . . . . 54 ALA H . 27014 1 178 . 1 1 54 54 ALA CA C 13 51.267 0.3 . 1 . . . . . 54 ALA CA . 27014 1 179 . 1 1 54 54 ALA CB C 13 21.494 0.3 . 1 . . . . . 54 ALA CB . 27014 1 180 . 1 1 54 54 ALA N N 15 121.409 0.25 . 1 . . . . . 54 ALA N . 27014 1 181 . 1 1 55 55 ASP H H 1 8.653 0.02 . 1 . . . . . 55 ASP H . 27014 1 182 . 1 1 55 55 ASP CA C 13 56.707 0.3 . 1 . . . . . 55 ASP CA . 27014 1 183 . 1 1 55 55 ASP CB C 13 41.285 0.3 . 1 . . . . . 55 ASP CB . 27014 1 184 . 1 1 55 55 ASP N N 15 120.002 0.25 . 1 . . . . . 55 ASP N . 27014 1 185 . 1 1 56 56 TRP H H 1 6.068 0.02 . 1 . . . . . 56 TRP H . 27014 1 186 . 1 1 56 56 TRP CA C 13 53.925 0.3 . 1 . . . . . 56 TRP CA . 27014 1 187 . 1 1 56 56 TRP CB C 13 28.092 0.3 . 1 . . . . . 56 TRP CB . 27014 1 188 . 1 1 56 56 TRP N N 15 109.859 0.25 . 1 . . . . . 56 TRP N . 27014 1 189 . 1 1 57 57 CYS H H 1 6.910 0.02 . 1 . . . . . 57 CYS H . 27014 1 190 . 1 1 57 57 CYS CA C 13 53.119 0.3 . 1 . . . . . 57 CYS CA . 27014 1 191 . 1 1 57 57 CYS CB C 13 42.978 0.3 . 1 . . . . . 57 CYS CB . 27014 1 192 . 1 1 57 57 CYS N N 15 121.431 0.25 . 1 . . . . . 57 CYS N . 27014 1 193 . 1 1 58 58 ILE H H 1 8.628 0.02 . 1 . . . . . 58 ILE H . 27014 1 194 . 1 1 58 58 ILE CA C 13 64.772 0.3 . 1 . . . . . 58 ILE CA . 27014 1 195 . 1 1 58 58 ILE CB C 13 37.083 0.3 . 1 . . . . . 58 ILE CB . 27014 1 196 . 1 1 58 58 ILE N N 15 133.948 0.25 . 1 . . . . . 58 ILE N . 27014 1 197 . 1 1 59 59 SER H H 1 9.003 0.02 . 1 . . . . . 59 SER H . 27014 1 198 . 1 1 59 59 SER CA C 13 61.963 0.3 . 1 . . . . . 59 SER CA . 27014 1 199 . 1 1 59 59 SER CB C 13 62.431 0.3 . 1 . . . . . 59 SER CB . 27014 1 200 . 1 1 59 59 SER N N 15 117.201 0.25 . 1 . . . . . 59 SER N . 27014 1 201 . 1 1 60 60 CYS H H 1 8.354 0.02 . 1 . . . . . 60 CYS H . 27014 1 202 . 1 1 60 60 CYS CA C 13 62.613 0.3 . 1 . . . . . 60 CYS CA . 27014 1 203 . 1 1 60 60 CYS CB C 13 33.549 0.3 . 1 . . . . . 60 CYS CB . 27014 1 204 . 1 1 60 60 CYS N N 15 118.104 0.25 . 1 . . . . . 60 CYS N . 27014 1 205 . 1 1 61 61 LYS H H 1 7.704 0.02 . 1 . . . . . 61 LYS H . 27014 1 206 . 1 1 61 61 LYS CA C 13 59.848 0.3 . 1 . . . . . 61 LYS CA . 27014 1 207 . 1 1 61 61 LYS CB C 13 31.657 0.3 . 1 . . . . . 61 LYS CB . 27014 1 208 . 1 1 61 61 LYS N N 15 122.573 0.25 . 1 . . . . . 61 LYS N . 27014 1 209 . 1 1 62 62 GLU H H 1 8.120 0.02 . 1 . . . . . 62 GLU H . 27014 1 210 . 1 1 62 62 GLU CA C 13 59.590 0.3 . 1 . . . . . 62 GLU CA . 27014 1 211 . 1 1 62 62 GLU CB C 13 29.281 0.3 . 1 . . . . . 62 GLU CB . 27014 1 212 . 1 1 62 62 GLU N N 15 121.639 0.25 . 1 . . . . . 62 GLU N . 27014 1 213 . 1 1 63 63 MET H H 1 8.780 0.02 . 1 . . . . . 63 MET H . 27014 1 214 . 1 1 63 63 MET CA C 13 58.101 0.3 . 1 . . . . . 63 MET CA . 27014 1 215 . 1 1 63 63 MET CB C 13 33.177 0.3 . 1 . . . . . 63 MET CB . 27014 1 216 . 1 1 63 63 MET N N 15 119.278 0.25 . 1 . . . . . 63 MET N . 27014 1 217 . 1 1 64 64 ALA H H 1 7.733 0.02 . 1 . . . . . 64 ALA H . 27014 1 218 . 1 1 64 64 ALA CA C 13 55.216 0.3 . 1 . . . . . 64 ALA CA . 27014 1 219 . 1 1 64 64 ALA CB C 13 18.355 0.3 . 1 . . . . . 64 ALA CB . 27014 1 220 . 1 1 64 64 ALA N N 15 123.069 0.25 . 1 . . . . . 64 ALA N . 27014 1 221 . 1 1 65 65 ALA H H 1 7.421 0.02 . 1 . . . . . 65 ALA H . 27014 1 222 . 1 1 65 65 ALA CA C 13 53.301 0.3 . 1 . . . . . 65 ALA CA . 27014 1 223 . 1 1 65 65 ALA CB C 13 19.296 0.3 . 1 . . . . . 65 ALA CB . 27014 1 224 . 1 1 65 65 ALA N N 15 116.619 0.25 . 1 . . . . . 65 ALA N . 27014 1 225 . 1 1 66 66 TYR H H 1 8.133 0.02 . 1 . . . . . 66 TYR H . 27014 1 226 . 1 1 66 66 TYR CA C 13 57.551 0.3 . 1 . . . . . 66 TYR CA . 27014 1 227 . 1 1 66 66 TYR CB C 13 40.487 0.3 . 1 . . . . . 66 TYR CB . 27014 1 228 . 1 1 66 66 TYR N N 15 112.298 0.25 . 1 . . . . . 66 TYR N . 27014 1 229 . 1 1 67 67 THR H H 1 7.890 0.02 . 1 . . . . . 67 THR H . 27014 1 230 . 1 1 67 67 THR CA C 13 65.797 0.3 . 1 . . . . . 67 THR CA . 27014 1 231 . 1 1 67 67 THR CB C 13 70.481 0.3 . 1 . . . . . 67 THR CB . 27014 1 232 . 1 1 67 67 THR N N 15 116.598 0.25 . 1 . . . . . 67 THR N . 27014 1 233 . 1 1 68 68 LEU H H 1 8.555 0.02 . 1 . . . . . 68 LEU H . 27014 1 234 . 1 1 68 68 LEU CA C 13 56.274 0.3 . 1 . . . . . 68 LEU CA . 27014 1 235 . 1 1 68 68 LEU CB C 13 41.296 0.3 . 1 . . . . . 68 LEU CB . 27014 1 236 . 1 1 68 68 LEU N N 15 118.339 0.25 . 1 . . . . . 68 LEU N . 27014 1 237 . 1 1 69 69 ASN H H 1 8.266 0.02 . 1 . . . . . 69 ASN H . 27014 1 238 . 1 1 69 69 ASN CA C 13 52.043 0.3 . 1 . . . . . 69 ASN CA . 27014 1 239 . 1 1 69 69 ASN CB C 13 37.526 0.3 . 1 . . . . . 69 ASN CB . 27014 1 240 . 1 1 69 69 ASN N N 15 112.185 0.25 . 1 . . . . . 69 ASN N . 27014 1 241 . 1 1 70 70 GLN H H 1 7.298 0.02 . 1 . . . . . 70 GLN H . 27014 1 242 . 1 1 70 70 GLN CA C 13 53.009 0.3 . 1 . . . . . 70 GLN CA . 27014 1 243 . 1 1 70 70 GLN CB C 13 27.320 0.3 . 1 . . . . . 70 GLN CB . 27014 1 244 . 1 1 70 70 GLN N N 15 120.370 0.25 . 1 . . . . . 70 GLN N . 27014 1 245 . 1 1 71 71 PRO CA C 13 65.442 0.3 . 1 . . . . . 71 PRO CA . 27014 1 246 . 1 1 71 71 PRO CB C 13 31.574 0.3 . 1 . . . . . 71 PRO CB . 27014 1 247 . 1 1 72 72 GLU H H 1 10.452 0.02 . 1 . . . . . 72 GLU H . 27014 1 248 . 1 1 72 72 GLU CA C 13 59.695 0.3 . 1 . . . . . 72 GLU CA . 27014 1 249 . 1 1 72 72 GLU CB C 13 27.685 0.3 . 1 . . . . . 72 GLU CB . 27014 1 250 . 1 1 72 72 GLU N N 15 118.392 0.25 . 1 . . . . . 72 GLU N . 27014 1 251 . 1 1 73 73 VAL H H 1 7.275 0.02 . 1 . . . . . 73 VAL H . 27014 1 252 . 1 1 73 73 VAL CA C 13 66.597 0.3 . 1 . . . . . 73 VAL CA . 27014 1 253 . 1 1 73 73 VAL CB C 13 31.079 0.3 . 1 . . . . . 73 VAL CB . 27014 1 254 . 1 1 73 73 VAL N N 15 121.666 0.25 . 1 . . . . . 73 VAL N . 27014 1 255 . 1 1 74 74 HIS H H 1 7.207 0.02 . 1 . . . . . 74 HIS H . 27014 1 256 . 1 1 74 74 HIS CA C 13 58.172 0.3 . 1 . . . . . 74 HIS CA . 27014 1 257 . 1 1 74 74 HIS CB C 13 29.985 0.3 . 1 . . . . . 74 HIS CB . 27014 1 258 . 1 1 74 74 HIS N N 15 118.028 0.25 . 1 . . . . . 74 HIS N . 27014 1 259 . 1 1 75 75 GLN H H 1 7.686 0.02 . 1 . . . . . 75 GLN H . 27014 1 260 . 1 1 75 75 GLN CA C 13 57.342 0.3 . 1 . . . . . 75 GLN CA . 27014 1 261 . 1 1 75 75 GLN CB C 13 28.883 0.3 . 1 . . . . . 75 GLN CB . 27014 1 262 . 1 1 75 75 GLN N N 15 115.334 0.25 . 1 . . . . . 75 GLN N . 27014 1 263 . 1 1 76 76 ALA H H 1 7.201 0.02 . 1 . . . . . 76 ALA H . 27014 1 264 . 1 1 76 76 ALA CA C 13 53.551 0.3 . 1 . . . . . 76 ALA CA . 27014 1 265 . 1 1 76 76 ALA CB C 13 21.458 0.3 . 1 . . . . . 76 ALA CB . 27014 1 266 . 1 1 76 76 ALA N N 15 120.864 0.25 . 1 . . . . . 76 ALA N . 27014 1 267 . 1 1 77 77 VAL H H 1 8.305 0.02 . 1 . . . . . 77 VAL H . 27014 1 268 . 1 1 77 77 VAL CA C 13 61.312 0.3 . 1 . . . . . 77 VAL CA . 27014 1 269 . 1 1 77 77 VAL CB C 13 32.730 0.3 . 1 . . . . . 77 VAL CB . 27014 1 270 . 1 1 77 77 VAL N N 15 120.163 0.25 . 1 . . . . . 77 VAL N . 27014 1 271 . 1 1 78 78 ASP H H 1 7.238 0.02 . 1 . . . . . 78 ASP H . 27014 1 272 . 1 1 78 78 ASP CA C 13 53.276 0.3 . 1 . . . . . 78 ASP CA . 27014 1 273 . 1 1 78 78 ASP CB C 13 39.602 0.3 . 1 . . . . . 78 ASP CB . 27014 1 274 . 1 1 78 78 ASP N N 15 120.339 0.25 . 1 . . . . . 78 ASP N . 27014 1 275 . 1 1 79 79 MET H H 1 9.213 0.02 . 1 . . . . . 79 MET H . 27014 1 276 . 1 1 79 79 MET CA C 13 55.458 0.3 . 1 . . . . . 79 MET CA . 27014 1 277 . 1 1 79 79 MET CB C 13 29.124 0.3 . 1 . . . . . 79 MET CB . 27014 1 278 . 1 1 79 79 MET N N 15 128.923 0.25 . 1 . . . . . 79 MET N . 27014 1 279 . 1 1 80 80 GLU H H 1 8.427 0.02 . 1 . . . . . 80 GLU H . 27014 1 280 . 1 1 80 80 GLU CA C 13 57.884 0.3 . 1 . . . . . 80 GLU CA . 27014 1 281 . 1 1 80 80 GLU CB C 13 28.896 0.3 . 1 . . . . . 80 GLU CB . 27014 1 282 . 1 1 80 80 GLU N N 15 119.930 0.25 . 1 . . . . . 80 GLU N . 27014 1 283 . 1 1 81 81 ARG H H 1 7.631 0.02 . 1 . . . . . 81 ARG H . 27014 1 284 . 1 1 81 81 ARG CA C 13 54.618 0.3 . 1 . . . . . 81 ARG CA . 27014 1 285 . 1 1 81 81 ARG CB C 13 30.641 0.3 . 1 . . . . . 81 ARG CB . 27014 1 286 . 1 1 81 81 ARG N N 15 118.973 0.25 . 1 . . . . . 81 ARG N . 27014 1 287 . 1 1 82 82 PHE H H 1 6.798 0.02 . 1 . . . . . 82 PHE H . 27014 1 288 . 1 1 82 82 PHE CA C 13 56.553 0.3 . 1 . . . . . 82 PHE CA . 27014 1 289 . 1 1 82 82 PHE CB C 13 41.683 0.3 . 1 . . . . . 82 PHE CB . 27014 1 290 . 1 1 82 82 PHE N N 15 124.756 0.25 . 1 . . . . . 82 PHE N . 27014 1 291 . 1 1 83 83 PHE H H 1 9.258 0.02 . 1 . . . . . 83 PHE H . 27014 1 292 . 1 1 83 83 PHE CA C 13 56.640 0.3 . 1 . . . . . 83 PHE CA . 27014 1 293 . 1 1 83 83 PHE CB C 13 41.501 0.3 . 1 . . . . . 83 PHE CB . 27014 1 294 . 1 1 83 83 PHE N N 15 128.206 0.25 . 1 . . . . . 83 PHE N . 27014 1 295 . 1 1 84 84 GLN H H 1 8.977 0.02 . 1 . . . . . 84 GLN H . 27014 1 296 . 1 1 84 84 GLN CA C 13 53.706 0.3 . 1 . . . . . 84 GLN CA . 27014 1 297 . 1 1 84 84 GLN CB C 13 34.019 0.3 . 1 . . . . . 84 GLN CB . 27014 1 298 . 1 1 84 84 GLN N N 15 120.687 0.25 . 1 . . . . . 84 GLN N . 27014 1 299 . 1 1 85 85 ILE H H 1 8.535 0.02 . 1 . . . . . 85 ILE H . 27014 1 300 . 1 1 85 85 ILE CA C 13 54.037 0.3 . 1 . . . . . 85 ILE CA . 27014 1 301 . 1 1 85 85 ILE CB C 13 41.448 0.3 . 1 . . . . . 85 ILE CB . 27014 1 302 . 1 1 85 85 ILE N N 15 122.054 0.25 . 1 . . . . . 85 ILE N . 27014 1 303 . 1 1 86 86 ASP H H 1 9.035 0.02 . 1 . . . . . 86 ASP H . 27014 1 304 . 1 1 86 86 ASP CA C 13 52.299 0.3 . 1 . . . . . 86 ASP CA . 27014 1 305 . 1 1 86 86 ASP CB C 13 40.384 0.3 . 1 . . . . . 86 ASP CB . 27014 1 306 . 1 1 86 86 ASP N N 15 127.317 0.25 . 1 . . . . . 86 ASP N . 27014 1 307 . 1 1 87 87 VAL H H 1 8.934 0.02 . 1 . . . . . 87 VAL H . 27014 1 308 . 1 1 87 87 VAL CA C 13 59.252 0.3 . 1 . . . . . 87 VAL CA . 27014 1 309 . 1 1 87 87 VAL CB C 13 30.190 0.3 . 1 . . . . . 87 VAL CB . 27014 1 310 . 1 1 87 87 VAL N N 15 116.556 0.25 . 1 . . . . . 87 VAL N . 27014 1 311 . 1 1 88 88 THR H H 1 8.656 0.02 . 1 . . . . . 88 THR H . 27014 1 312 . 1 1 88 88 THR CA C 13 67.912 0.3 . 1 . . . . . 88 THR CA . 27014 1 313 . 1 1 88 88 THR CB C 13 68.724 0.3 . 1 . . . . . 88 THR CB . 27014 1 314 . 1 1 88 88 THR N N 15 122.914 0.25 . 1 . . . . . 88 THR N . 27014 1 315 . 1 1 89 89 ALA H H 1 9.015 0.02 . 1 . . . . . 89 ALA H . 27014 1 316 . 1 1 89 89 ALA CA C 13 54.002 0.3 . 1 . . . . . 89 ALA CA . 27014 1 317 . 1 1 89 89 ALA CB C 13 19.324 0.3 . 1 . . . . . 89 ALA CB . 27014 1 318 . 1 1 89 89 ALA N N 15 120.214 0.25 . 1 . . . . . 89 ALA N . 27014 1 319 . 1 1 90 90 ASN H H 1 8.449 0.02 . 1 . . . . . 90 ASN H . 27014 1 320 . 1 1 90 90 ASN CA C 13 54.021 0.3 . 1 . . . . . 90 ASN CA . 27014 1 321 . 1 1 90 90 ASN CB C 13 37.615 0.3 . 1 . . . . . 90 ASN CB . 27014 1 322 . 1 1 90 90 ASN N N 15 117.329 0.25 . 1 . . . . . 90 ASN N . 27014 1 323 . 1 1 91 91 LYS H H 1 9.945 0.02 . 1 . . . . . 91 LYS H . 27014 1 324 . 1 1 91 91 LYS CA C 13 56.013 0.3 . 1 . . . . . 91 LYS CA . 27014 1 325 . 1 1 91 91 LYS CB C 13 30.857 0.3 . 1 . . . . . 91 LYS CB . 27014 1 326 . 1 1 91 91 LYS N N 15 120.309 0.25 . 1 . . . . . 91 LYS N . 27014 1 327 . 1 1 92 92 PRO CA C 13 66.695 0.3 . 1 . . . . . 92 PRO CA . 27014 1 328 . 1 1 92 92 PRO CB C 13 31.248 0.3 . 1 . . . . . 92 PRO CB . 27014 1 329 . 1 1 93 93 GLU H H 1 9.253 0.02 . 1 . . . . . 93 GLU H . 27014 1 330 . 1 1 93 93 GLU CA C 13 59.005 0.3 . 1 . . . . . 93 GLU CA . 27014 1 331 . 1 1 93 93 GLU CB C 13 27.891 0.3 . 1 . . . . . 93 GLU CB . 27014 1 332 . 1 1 93 93 GLU N N 15 115.651 0.25 . 1 . . . . . 93 GLU N . 27014 1 333 . 1 1 94 94 HIS H H 1 7.466 0.02 . 1 . . . . . 94 HIS H . 27014 1 334 . 1 1 94 94 HIS CA C 13 59.477 0.3 . 1 . . . . . 94 HIS CA . 27014 1 335 . 1 1 94 94 HIS CB C 13 31.563 0.3 . 1 . . . . . 94 HIS CB . 27014 1 336 . 1 1 94 94 HIS N N 15 123.436 0.25 . 1 . . . . . 94 HIS N . 27014 1 337 . 1 1 95 95 GLN H H 1 7.998 0.02 . 1 . . . . . 95 GLN H . 27014 1 338 . 1 1 95 95 GLN CA C 13 59.942 0.3 . 1 . . . . . 95 GLN CA . 27014 1 339 . 1 1 95 95 GLN CB C 13 31.843 0.3 . 1 . . . . . 95 GLN CB . 27014 1 340 . 1 1 95 95 GLN N N 15 118.634 0.25 . 1 . . . . . 95 GLN N . 27014 1 341 . 1 1 96 96 ALA H H 1 7.685 0.02 . 1 . . . . . 96 ALA H . 27014 1 342 . 1 1 96 96 ALA CA C 13 54.896 0.3 . 1 . . . . . 96 ALA CA . 27014 1 343 . 1 1 96 96 ALA CB C 13 17.780 0.3 . 1 . . . . . 96 ALA CB . 27014 1 344 . 1 1 96 96 ALA N N 15 120.363 0.25 . 1 . . . . . 96 ALA N . 27014 1 345 . 1 1 97 97 LEU H H 1 7.554 0.02 . 1 . . . . . 97 LEU H . 27014 1 346 . 1 1 97 97 LEU CA C 13 58.002 0.3 . 1 . . . . . 97 LEU CA . 27014 1 347 . 1 1 97 97 LEU CB C 13 42.695 0.3 . 1 . . . . . 97 LEU CB . 27014 1 348 . 1 1 97 97 LEU N N 15 122.266 0.25 . 1 . . . . . 97 LEU N . 27014 1 349 . 1 1 98 98 LEU H H 1 8.399 0.02 . 1 . . . . . 98 LEU H . 27014 1 350 . 1 1 98 98 LEU CA C 13 58.715 0.3 . 1 . . . . . 98 LEU CA . 27014 1 351 . 1 1 98 98 LEU CB C 13 40.952 0.3 . 1 . . . . . 98 LEU CB . 27014 1 352 . 1 1 98 98 LEU N N 15 119.477 0.25 . 1 . . . . . 98 LEU N . 27014 1 353 . 1 1 99 99 LYS H H 1 7.812 0.02 . 1 . . . . . 99 LYS H . 27014 1 354 . 1 1 99 99 LYS CA C 13 59.444 0.3 . 1 . . . . . 99 LYS CA . 27014 1 355 . 1 1 99 99 LYS CB C 13 32.153 0.3 . 1 . . . . . 99 LYS CB . 27014 1 356 . 1 1 99 99 LYS N N 15 118.266 0.25 . 1 . . . . . 99 LYS N . 27014 1 357 . 1 1 100 100 GLU H H 1 8.239 0.02 . 1 . . . . . 100 GLU H . 27014 1 358 . 1 1 100 100 GLU CA C 13 59.235 0.3 . 1 . . . . . 100 GLU CA . 27014 1 359 . 1 1 100 100 GLU CB C 13 28.900 0.3 . 1 . . . . . 100 GLU CB . 27014 1 360 . 1 1 100 100 GLU N N 15 123.285 0.25 . 1 . . . . . 100 GLU N . 27014 1 361 . 1 1 101 101 TYR H H 1 7.613 0.02 . 1 . . . . . 101 TYR H . 27014 1 362 . 1 1 101 101 TYR CA C 13 59.595 0.3 . 1 . . . . . 101 TYR CA . 27014 1 363 . 1 1 101 101 TYR CB C 13 37.527 0.3 . 1 . . . . . 101 TYR CB . 27014 1 364 . 1 1 101 101 TYR N N 15 117.803 0.25 . 1 . . . . . 101 TYR N . 27014 1 365 . 1 1 102 102 GLY H H 1 7.845 0.02 . 1 . . . . . 102 GLY H . 27014 1 366 . 1 1 102 102 GLY CA C 13 46.380 0.3 . 1 . . . . . 102 GLY CA . 27014 1 367 . 1 1 102 102 GLY N N 15 108.826 0.25 . 1 . . . . . 102 GLY N . 27014 1 368 . 1 1 103 103 LEU H H 1 8.041 0.02 . 1 . . . . . 103 LEU H . 27014 1 369 . 1 1 103 103 LEU CA C 13 52.837 0.3 . 1 . . . . . 103 LEU CA . 27014 1 370 . 1 1 103 103 LEU CB C 13 45.055 0.3 . 1 . . . . . 103 LEU CB . 27014 1 371 . 1 1 103 103 LEU N N 15 119.852 0.25 . 1 . . . . . 103 LEU N . 27014 1 372 . 1 1 104 104 PHE H H 1 8.839 0.02 . 1 . . . . . 104 PHE H . 27014 1 373 . 1 1 104 104 PHE CA C 13 58.496 0.3 . 1 . . . . . 104 PHE CA . 27014 1 374 . 1 1 104 104 PHE CB C 13 39.137 0.3 . 1 . . . . . 104 PHE CB . 27014 1 375 . 1 1 104 104 PHE N N 15 119.970 0.25 . 1 . . . . . 104 PHE N . 27014 1 376 . 1 1 105 105 GLY H H 1 7.440 0.02 . 1 . . . . . 105 GLY H . 27014 1 377 . 1 1 105 105 GLY CA C 13 45.172 0.3 . 1 . . . . . 105 GLY CA . 27014 1 378 . 1 1 105 105 GLY N N 15 106.228 0.25 . 1 . . . . . 105 GLY N . 27014 1 379 . 1 1 107 107 PRO CA C 13 62.070 0.3 . 1 . . . . . 107 PRO CA . 27014 1 380 . 1 1 107 107 PRO CB C 13 37.012 0.3 . 1 . . . . . 107 PRO CB . 27014 1 381 . 1 1 108 108 GLY H H 1 9.248 0.02 . 1 . . . . . 108 GLY H . 27014 1 382 . 1 1 108 108 GLY CA C 13 48.203 0.3 . 1 . . . . . 108 GLY CA . 27014 1 383 . 1 1 108 108 GLY N N 15 105.714 0.25 . 1 . . . . . 108 GLY N . 27014 1 384 . 1 1 109 109 VAL H H 1 7.643 0.02 . 1 . . . . . 109 VAL H . 27014 1 385 . 1 1 109 109 VAL CA C 13 60.318 0.3 . 1 . . . . . 109 VAL CA . 27014 1 386 . 1 1 109 109 VAL CB C 13 33.099 0.3 . 1 . . . . . 109 VAL CB . 27014 1 387 . 1 1 109 109 VAL N N 15 127.047 0.25 . 1 . . . . . 109 VAL N . 27014 1 388 . 1 1 110 110 PHE H H 1 9.647 0.02 . 1 . . . . . 110 PHE H . 27014 1 389 . 1 1 110 110 PHE CA C 13 57.235 0.3 . 1 . . . . . 110 PHE CA . 27014 1 390 . 1 1 110 110 PHE CB C 13 43.971 0.3 . 1 . . . . . 110 PHE CB . 27014 1 391 . 1 1 110 110 PHE N N 15 121.481 0.25 . 1 . . . . . 110 PHE N . 27014 1 392 . 1 1 111 111 VAL H H 1 8.673 0.02 . 1 . . . . . 111 VAL H . 27014 1 393 . 1 1 111 111 VAL CA C 13 63.306 0.3 . 1 . . . . . 111 VAL CA . 27014 1 394 . 1 1 111 111 VAL CB C 13 32.534 0.3 . 1 . . . . . 111 VAL CB . 27014 1 395 . 1 1 111 111 VAL N N 15 123.343 0.25 . 1 . . . . . 111 VAL N . 27014 1 396 . 1 1 112 112 VAL H H 1 9.343 0.02 . 1 . . . . . 112 VAL H . 27014 1 397 . 1 1 112 112 VAL CA C 13 62.572 0.3 . 1 . . . . . 112 VAL CA . 27014 1 398 . 1 1 112 112 VAL CB C 13 34.115 0.3 . 1 . . . . . 112 VAL CB . 27014 1 399 . 1 1 112 112 VAL N N 15 129.584 0.25 . 1 . . . . . 112 VAL N . 27014 1 400 . 1 1 113 113 ARG H H 1 8.435 0.02 . 1 . . . . . 113 ARG H . 27014 1 401 . 1 1 113 113 ARG CA C 13 54.726 0.3 . 1 . . . . . 113 ARG CA . 27014 1 402 . 1 1 113 113 ARG CB C 13 31.983 0.3 . 1 . . . . . 113 ARG CB . 27014 1 403 . 1 1 113 113 ARG N N 15 122.994 0.25 . 1 . . . . . 113 ARG N . 27014 1 404 . 1 1 114 114 SER H H 1 9.534 0.02 . 1 . . . . . 114 SER H . 27014 1 405 . 1 1 114 114 SER CA C 13 60.540 0.3 . 1 . . . . . 114 SER CA . 27014 1 406 . 1 1 114 114 SER CB C 13 62.382 0.3 . 1 . . . . . 114 SER CB . 27014 1 407 . 1 1 114 114 SER N N 15 117.398 0.25 . 1 . . . . . 114 SER N . 27014 1 408 . 1 1 115 115 ASP H H 1 7.804 0.02 . 1 . . . . . 115 ASP H . 27014 1 409 . 1 1 115 115 ASP CA C 13 53.225 0.3 . 1 . . . . . 115 ASP CA . 27014 1 410 . 1 1 115 115 ASP CB C 13 39.612 0.3 . 1 . . . . . 115 ASP CB . 27014 1 411 . 1 1 115 115 ASP N N 15 120.353 0.25 . 1 . . . . . 115 ASP N . 27014 1 412 . 1 1 116 116 GLY H H 1 8.058 0.02 . 1 . . . . . 116 GLY H . 27014 1 413 . 1 1 116 116 GLY CA C 13 44.997 0.3 . 1 . . . . . 116 GLY CA . 27014 1 414 . 1 1 116 116 GLY N N 15 109.146 0.25 . 1 . . . . . 116 GLY N . 27014 1 415 . 1 1 117 117 SER H H 1 8.267 0.02 . 1 . . . . . 117 SER H . 27014 1 416 . 1 1 117 117 SER CA C 13 58.463 0.3 . 1 . . . . . 117 SER CA . 27014 1 417 . 1 1 117 117 SER CB C 13 64.761 0.3 . 1 . . . . . 117 SER CB . 27014 1 418 . 1 1 117 117 SER N N 15 118.697 0.25 . 1 . . . . . 117 SER N . 27014 1 419 . 1 1 118 118 ARG H H 1 8.366 0.02 . 1 . . . . . 118 ARG H . 27014 1 420 . 1 1 118 118 ARG CA C 13 53.910 0.3 . 1 . . . . . 118 ARG CA . 27014 1 421 . 1 1 118 118 ARG CB C 13 34.371 0.3 . 1 . . . . . 118 ARG CB . 27014 1 422 . 1 1 118 118 ARG N N 15 115.488 0.25 . 1 . . . . . 118 ARG N . 27014 1 423 . 1 1 119 119 SER H H 1 9.267 0.02 . 1 . . . . . 119 SER H . 27014 1 424 . 1 1 119 119 SER CA C 13 58.359 0.3 . 1 . . . . . 119 SER CA . 27014 1 425 . 1 1 119 119 SER CB C 13 66.727 0.3 . 1 . . . . . 119 SER CB . 27014 1 426 . 1 1 119 119 SER N N 15 117.718 0.25 . 1 . . . . . 119 SER N . 27014 1 427 . 1 1 120 120 GLU H H 1 8.617 0.02 . 1 . . . . . 120 GLU H . 27014 1 428 . 1 1 120 120 GLU CA C 13 55.791 0.3 . 1 . . . . . 120 GLU CA . 27014 1 429 . 1 1 120 120 GLU CB C 13 28.664 0.3 . 1 . . . . . 120 GLU CB . 27014 1 430 . 1 1 120 120 GLU N N 15 119.448 0.25 . 1 . . . . . 120 GLU N . 27014 1 431 . 1 1 121 121 PRO CA C 13 62.218 0.3 . 1 . . . . . 121 PRO CA . 27014 1 432 . 1 1 121 121 PRO CB C 13 30.291 0.3 . 1 . . . . . 121 PRO CB . 27014 1 433 . 1 1 122 122 LEU H H 1 8.460 0.02 . 1 . . . . . 122 LEU H . 27014 1 434 . 1 1 122 122 LEU CA C 13 54.554 0.3 . 1 . . . . . 122 LEU CA . 27014 1 435 . 1 1 122 122 LEU CB C 13 41.188 0.3 . 1 . . . . . 122 LEU CB . 27014 1 436 . 1 1 122 122 LEU N N 15 122.587 0.25 . 1 . . . . . 122 LEU N . 27014 1 437 . 1 1 123 123 LEU H H 1 8.407 0.02 . 1 . . . . . 123 LEU H . 27014 1 438 . 1 1 123 123 LEU CA C 13 53.941 0.3 . 1 . . . . . 123 LEU CA . 27014 1 439 . 1 1 123 123 LEU CB C 13 43.124 0.3 . 1 . . . . . 123 LEU CB . 27014 1 440 . 1 1 123 123 LEU N N 15 127.088 0.25 . 1 . . . . . 123 LEU N . 27014 1 441 . 1 1 124 124 GLY H H 1 6.988 0.02 . 1 . . . . . 124 GLY H . 27014 1 442 . 1 1 124 124 GLY CA C 13 44.635 0.3 . 1 . . . . . 124 GLY CA . 27014 1 443 . 1 1 124 124 GLY N N 15 106.494 0.25 . 1 . . . . . 124 GLY N . 27014 1 444 . 1 1 125 125 PHE H H 1 8.547 0.02 . 1 . . . . . 125 PHE H . 27014 1 445 . 1 1 125 125 PHE CA C 13 58.237 0.3 . 1 . . . . . 125 PHE CA . 27014 1 446 . 1 1 125 125 PHE CB C 13 39.992 0.3 . 1 . . . . . 125 PHE CB . 27014 1 447 . 1 1 125 125 PHE N N 15 118.968 0.25 . 1 . . . . . 125 PHE N . 27014 1 448 . 1 1 126 126 VAL H H 1 7.084 0.02 . 1 . . . . . 126 VAL H . 27014 1 449 . 1 1 126 126 VAL CA C 13 58.726 0.3 . 1 . . . . . 126 VAL CA . 27014 1 450 . 1 1 126 126 VAL CB C 13 35.575 0.3 . 1 . . . . . 126 VAL CB . 27014 1 451 . 1 1 126 126 VAL N N 15 123.650 0.25 . 1 . . . . . 126 VAL N . 27014 1 452 . 1 1 127 127 LYS H H 1 8.042 0.02 . 1 . . . . . 127 LYS H . 27014 1 453 . 1 1 127 127 LYS CA C 13 55.849 0.3 . 1 . . . . . 127 LYS CA . 27014 1 454 . 1 1 127 127 LYS CB C 13 33.548 0.3 . 1 . . . . . 127 LYS CB . 27014 1 455 . 1 1 127 127 LYS N N 15 119.136 0.25 . 1 . . . . . 127 LYS N . 27014 1 456 . 1 1 128 128 ALA H H 1 9.042 0.02 . 1 . . . . . 128 ALA H . 27014 1 457 . 1 1 128 128 ALA CA C 13 56.531 0.3 . 1 . . . . . 128 ALA CA . 27014 1 458 . 1 1 128 128 ALA CB C 13 19.203 0.3 . 1 . . . . . 128 ALA CB . 27014 1 459 . 1 1 128 128 ALA N N 15 122.097 0.25 . 1 . . . . . 128 ALA N . 27014 1 460 . 1 1 129 129 ASP H H 1 8.667 0.02 . 1 . . . . . 129 ASP H . 27014 1 461 . 1 1 129 129 ASP CA C 13 56.824 0.3 . 1 . . . . . 129 ASP CA . 27014 1 462 . 1 1 129 129 ASP CB C 13 38.307 0.3 . 1 . . . . . 129 ASP CB . 27014 1 463 . 1 1 129 129 ASP N N 15 114.873 0.25 . 1 . . . . . 129 ASP N . 27014 1 464 . 1 1 130 130 LYS H H 1 7.530 0.02 . 1 . . . . . 130 LYS H . 27014 1 465 . 1 1 130 130 LYS CA C 13 56.643 0.3 . 1 . . . . . 130 LYS CA . 27014 1 466 . 1 1 130 130 LYS CB C 13 31.592 0.3 . 1 . . . . . 130 LYS CB . 27014 1 467 . 1 1 130 130 LYS N N 15 122.893 0.25 . 1 . . . . . 130 LYS N . 27014 1 468 . 1 1 131 131 PHE H H 1 8.814 0.02 . 1 . . . . . 131 PHE H . 27014 1 469 . 1 1 131 131 PHE CA C 13 62.266 0.3 . 1 . . . . . 131 PHE CA . 27014 1 470 . 1 1 131 131 PHE CB C 13 39.398 0.3 . 1 . . . . . 131 PHE CB . 27014 1 471 . 1 1 131 131 PHE N N 15 124.539 0.25 . 1 . . . . . 131 PHE N . 27014 1 472 . 1 1 132 132 ILE H H 1 8.415 0.02 . 1 . . . . . 132 ILE H . 27014 1 473 . 1 1 132 132 ILE CA C 13 66.236 0.3 . 1 . . . . . 132 ILE CA . 27014 1 474 . 1 1 132 132 ILE CB C 13 38.514 0.3 . 1 . . . . . 132 ILE CB . 27014 1 475 . 1 1 132 132 ILE N N 15 119.274 0.25 . 1 . . . . . 132 ILE N . 27014 1 476 . 1 1 133 133 GLU H H 1 7.669 0.02 . 1 . . . . . 133 GLU H . 27014 1 477 . 1 1 133 133 GLU CA C 13 59.803 0.3 . 1 . . . . . 133 GLU CA . 27014 1 478 . 1 1 133 133 GLU CB C 13 30.458 0.3 . 1 . . . . . 133 GLU CB . 27014 1 479 . 1 1 133 133 GLU N N 15 119.116 0.25 . 1 . . . . . 133 GLU N . 27014 1 480 . 1 1 134 134 TRP H H 1 8.183 0.02 . 1 . . . . . 134 TRP H . 27014 1 481 . 1 1 134 134 TRP CA C 13 61.830 0.3 . 1 . . . . . 134 TRP CA . 27014 1 482 . 1 1 134 134 TRP CB C 13 27.505 0.3 . 1 . . . . . 134 TRP CB . 27014 1 483 . 1 1 134 134 TRP N N 15 120.930 0.25 . 1 . . . . . 134 TRP N . 27014 1 484 . 1 1 135 135 TYR H H 1 8.595 0.02 . 1 . . . . . 135 TYR H . 27014 1 485 . 1 1 135 135 TYR CA C 13 62.022 0.3 . 1 . . . . . 135 TYR CA . 27014 1 486 . 1 1 135 135 TYR CB C 13 37.978 0.3 . 1 . . . . . 135 TYR CB . 27014 1 487 . 1 1 135 135 TYR N N 15 122.781 0.25 . 1 . . . . . 135 TYR N . 27014 1 488 . 1 1 136 136 GLU H H 1 8.724 0.02 . 1 . . . . . 136 GLU H . 27014 1 489 . 1 1 136 136 GLU CA C 13 59.312 0.3 . 1 . . . . . 136 GLU CA . 27014 1 490 . 1 1 136 136 GLU CB C 13 29.078 0.3 . 1 . . . . . 136 GLU CB . 27014 1 491 . 1 1 136 136 GLU N N 15 117.145 0.25 . 1 . . . . . 136 GLU N . 27014 1 492 . 1 1 137 137 GLN H H 1 7.893 0.02 . 1 . . . . . 137 GLN H . 27014 1 493 . 1 1 137 137 GLN CA C 13 57.265 0.3 . 1 . . . . . 137 GLN CA . 27014 1 494 . 1 1 137 137 GLN CB C 13 28.632 0.3 . 1 . . . . . 137 GLN CB . 27014 1 495 . 1 1 137 137 GLN N N 15 116.119 0.25 . 1 . . . . . 137 GLN N . 27014 1 496 . 1 1 138 138 ASN H H 1 7.204 0.02 . 1 . . . . . 138 ASN H . 27014 1 497 . 1 1 138 138 ASN CA C 13 54.216 0.3 . 1 . . . . . 138 ASN CA . 27014 1 498 . 1 1 138 138 ASN CB C 13 40.523 0.3 . 1 . . . . . 138 ASN CB . 27014 1 499 . 1 1 138 138 ASN N N 15 116.385 0.25 . 1 . . . . . 138 ASN N . 27014 1 500 . 1 1 139 139 ARG H H 1 7.178 0.02 . 1 . . . . . 139 ARG H . 27014 1 501 . 1 1 139 139 ARG CA C 13 58.963 0.3 . 1 . . . . . 139 ARG CA . 27014 1 502 . 1 1 139 139 ARG CB C 13 29.241 0.3 . 1 . . . . . 139 ARG CB . 27014 1 503 . 1 1 139 139 ARG N N 15 125.576 0.25 . 1 . . . . . 139 ARG N . 27014 1 stop_ save_