################################### # 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 16011 _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' . . . 16011 1 4 '3D HNCA' . . . 16011 1 5 '3D HNCACB' . . . 16011 1 6 '3D CBCA(CO)NH' . . . 16011 1 7 '3D HN(CO)CA' . . . 16011 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16011 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS CA C 13 55.89 0.01 . 1 . . . . 1 K CA . 16011 1 2 . 1 1 1 1 LYS CB C 13 33.37 0.01 . 1 . . . . 1 K CB . 16011 1 3 . 1 1 2 2 GLU H H 1 8.950 0.001 . 1 . . . . 2 E HN . 16011 1 4 . 1 1 2 2 GLU CA C 13 55.87 0.01 . 1 . . . . 2 E CA . 16011 1 5 . 1 1 2 2 GLU CB C 13 29.22 0.01 . 1 . . . . 2 E CB . 16011 1 6 . 1 1 2 2 GLU N N 15 123.8 0.1 . 1 . . . . 2 E N . 16011 1 7 . 1 1 3 3 THR H H 1 8.469 0.001 . 1 . . . . 3 T HN . 16011 1 8 . 1 1 3 3 THR CA C 13 61.81 0.01 . 1 . . . . 3 T CA . 16011 1 9 . 1 1 3 3 THR CB C 13 70.19 0.01 . 1 . . . . 3 T CB . 16011 1 10 . 1 1 3 3 THR N N 15 117.0 0.1 . 1 . . . . 3 T N . 16011 1 11 . 1 1 4 4 ALA H H 1 8.421 0.001 . 1 . . . . 4 A HN . 16011 1 12 . 1 1 4 4 ALA CA C 13 52.51 0.01 . 1 . . . . 4 A CA . 16011 1 13 . 1 1 4 4 ALA CB C 13 19.36 0.01 . 1 . . . . 4 A CB . 16011 1 14 . 1 1 4 4 ALA N N 15 126.5 0.1 . 1 . . . . 4 A N . 16011 1 15 . 1 1 5 5 ALA H H 1 8.284 0.001 . 1 . . . . 5 A HN . 16011 1 16 . 1 1 5 5 ALA CA C 13 52.48 0.01 . 1 . . . . 5 A CA . 16011 1 17 . 1 1 5 5 ALA CB C 13 19.27 0.01 . 1 . . . . 5 A CB . 16011 1 18 . 1 1 5 5 ALA N N 15 123.6 0.1 . 1 . . . . 5 A N . 16011 1 19 . 1 1 6 6 ALA H H 1 8.230 0.001 . 1 . . . . 6 A HN . 16011 1 20 . 1 1 6 6 ALA CA C 13 52.54 0.01 . 1 . . . . 6 A CA . 16011 1 21 . 1 1 6 6 ALA CB C 13 19.29 0.01 . 1 . . . . 6 A CB . 16011 1 22 . 1 1 6 6 ALA N N 15 123.6 0.1 . 1 . . . . 6 A N . 16011 1 23 . 1 1 7 7 LYS H H 1 8.249 0.001 . 1 . . . . 7 K HN . 16011 1 24 . 1 1 7 7 LYS CA C 13 56.63 0.01 . 1 . . . . 7 K CA . 16011 1 25 . 1 1 7 7 LYS CB C 13 33.29 0.01 . 1 . . . . 7 K CB . 16011 1 26 . 1 1 7 7 LYS N N 15 120.6 0.1 . 1 . . . . 7 K N . 16011 1 27 . 1 1 8 8 PHE H H 1 8.261 0.001 . 1 . . . . 8 F HN . 16011 1 28 . 1 1 8 8 PHE CA C 13 57.63 0.01 . 1 . . . . 8 F CA . 16011 1 29 . 1 1 8 8 PHE CB C 13 39.71 0.01 . 1 . . . . 8 F CB . 16011 1 30 . 1 1 8 8 PHE N N 15 120.8 0.1 . 1 . . . . 8 F N . 16011 1 31 . 1 1 9 9 GLU H H 1 8.340 0.001 . 1 . . . . 9 E HN . 16011 1 32 . 1 1 9 9 GLU CA C 13 55.54 0.01 . 1 . . . . 9 E CA . 16011 1 33 . 1 1 9 9 GLU CB C 13 29.33 0.01 . 1 . . . . 9 E CB . 16011 1 34 . 1 1 9 9 GLU N N 15 122.5 0.1 . 1 . . . . 9 E N . 16011 1 35 . 1 1 10 10 ARG H H 1 8.433 0.001 . 1 . . . . 10 R HN . 16011 1 36 . 1 1 10 10 ARG CA C 13 56.40 0.01 . 1 . . . . 10 R CA . 16011 1 37 . 1 1 10 10 ARG CB C 13 30.92 0.01 . 1 . . . . 10 R CB . 16011 1 38 . 1 1 10 10 ARG N N 15 122.9 0.1 . 1 . . . . 10 R N . 16011 1 39 . 1 1 11 11 GLN H H 1 8.561 0.001 . 1 . . . . 11 Q HN . 16011 1 40 . 1 1 11 11 GLN CA C 13 56.03 0.01 . 1 . . . . 11 Q CA . 16011 1 41 . 1 1 11 11 GLN CB C 13 29.82 0.01 . 1 . . . . 11 Q CB . 16011 1 42 . 1 1 11 11 GLN N N 15 121.6 0.1 . 1 . . . . 11 Q N . 16011 1 43 . 1 1 12 12 HIS H H 1 8.747 0.001 . 1 . . . . 12 H HN . 16011 1 44 . 1 1 12 12 HIS CA C 13 55.45 0.01 . 1 . . . . 12 H CA . 16011 1 45 . 1 1 12 12 HIS CB C 13 29.04 0.01 . 1 . . . . 12 H CB . 16011 1 46 . 1 1 12 12 HIS N N 15 120.2 0.1 . 1 . . . . 12 H N . 16011 1 47 . 1 1 13 13 MET H H 1 8.603 0.001 . 1 . . . . 13 M HN . 16011 1 48 . 1 1 13 13 MET CA C 13 55.52 0.01 . 1 . . . . 13 M CA . 16011 1 49 . 1 1 13 13 MET CB C 13 33.29 0.01 . 1 . . . . 13 M CB . 16011 1 50 . 1 1 13 13 MET N N 15 122.7 0.1 . 1 . . . . 13 M N . 16011 1 51 . 1 1 14 14 ASP H H 1 8.763 0.001 . 1 . . . . 14 D HN . 16011 1 52 . 1 1 14 14 ASP CA C 13 53.05 0.01 . 1 . . . . 14 D CA . 16011 1 53 . 1 1 14 14 ASP CB C 13 38.37 0.01 . 1 . . . . 14 D CB . 16011 1 54 . 1 1 14 14 ASP N N 15 121.2 0.1 . 1 . . . . 14 D N . 16011 1 55 . 1 1 15 15 SER H H 1 8.436 0.001 . 1 . . . . 15 S HN . 16011 1 56 . 1 1 15 15 SER CA C 13 58.49 0.01 . 1 . . . . 15 S CA . 16011 1 57 . 1 1 15 15 SER CB C 13 64.02 0.01 . 1 . . . . 15 S CB . 16011 1 58 . 1 1 15 15 SER N N 15 116.6 0.1 . 1 . . . . 15 S N . 16011 1 59 . 1 1 16 16 SER H H 1 8.370 0.001 . 1 . . . . 16 S HN . 16011 1 60 . 1 1 16 16 SER CA C 13 58.57 0.01 . 1 . . . . 16 S CA . 16011 1 61 . 1 1 16 16 SER CB C 13 63.95 0.01 . 1 . . . . 16 S CB . 16011 1 62 . 1 1 16 16 SER N N 15 117.5 0.1 . 1 . . . . 16 S N . 16011 1 63 . 1 1 17 17 THR H H 1 8.259 0.001 . 1 . . . . 17 T HN . 16011 1 64 . 1 1 17 17 THR CA C 13 61.85 0.01 . 1 . . . . 17 T CA . 16011 1 65 . 1 1 17 17 THR CB C 13 69.93 0.01 . 1 . . . . 17 T CB . 16011 1 66 . 1 1 17 17 THR N N 15 115.2 0.1 . 1 . . . . 17 T N . 16011 1 67 . 1 1 18 18 SER H H 1 8.328 0.001 . 1 . . . . 18 S HN . 16011 1 68 . 1 1 18 18 SER CA C 13 58.40 0.01 . 1 . . . . 18 S CA . 16011 1 69 . 1 1 18 18 SER CB C 13 64.06 0.01 . 1 . . . . 18 S CB . 16011 1 70 . 1 1 18 18 SER N N 15 117.8 0.1 . 1 . . . . 18 S N . 16011 1 71 . 1 1 19 19 ALA H H 1 8.367 0.001 . 1 . . . . 19 A HN . 16011 1 72 . 1 1 19 19 ALA CA C 13 52.69 0.01 . 1 . . . . 19 A CA . 16011 1 73 . 1 1 19 19 ALA CB C 13 19.30 0.01 . 1 . . . . 19 A CB . 16011 1 74 . 1 1 19 19 ALA N N 15 126.2 0.1 . 1 . . . . 19 A N . 16011 1 75 . 1 1 20 20 ALA H H 1 8.263 0.001 . 1 . . . . 20 A HN . 16011 1 76 . 1 1 20 20 ALA CA C 13 52.01 0.01 . 1 . . . . 20 A CA . 16011 1 77 . 1 1 20 20 ALA CB C 13 19.47 0.01 . 1 . . . . 20 A CB . 16011 1 78 . 1 1 20 20 ALA N N 15 123.1 0.1 . 1 . . . . 20 A N . 16011 1 79 . 1 1 21 21 SER H H 1 8.799 0.001 . 1 . . . . 21 S HN . 16011 1 80 . 1 1 21 21 SER CA C 13 58.45 0.01 . 1 . . . . 21 S CA . 16011 1 81 . 1 1 21 21 SER CB C 13 64.00 0.01 . 1 . . . . 21 S CB . 16011 1 82 . 1 1 21 21 SER N N 15 116.7 0.1 . 1 . . . . 21 S N . 16011 1 83 . 1 1 22 22 SER H H 1 8.477 0.001 . 1 . . . . 22 S HN . 16011 1 84 . 1 1 22 22 SER CA C 13 58.54 0.01 . 1 . . . . 22 S CA . 16011 1 85 . 1 1 22 22 SER N N 15 117.8 0.1 . 1 . . . . 22 S N . 16011 1 86 . 1 1 23 23 SER CA C 13 58.60 0.01 . 1 . . . . 23 S CA . 16011 1 87 . 1 1 23 23 SER CB C 13 63.93 0.01 . 1 . . . . 23 S CB . 16011 1 88 . 1 1 24 24 ASN H H 1 8.413 0.001 . 1 . . . . 24 N HN . 16011 1 89 . 1 1 24 24 ASN CA C 13 53.33 0.01 . 1 . . . . 24 N CA . 16011 1 90 . 1 1 24 24 ASN CB C 13 38.94 0.01 . 1 . . . . 24 N CB . 16011 1 91 . 1 1 24 24 ASN N N 15 120.8 0.1 . 1 . . . . 24 N N . 16011 1 92 . 1 1 25 25 TYR H H 1 8.229 0.001 . 1 . . . . 25 Y HN . 16011 1 93 . 1 1 25 25 TYR CA C 13 59.01 0.01 . 1 . . . . 25 Y CA . 16011 1 94 . 1 1 25 25 TYR CB C 13 38.54 0.01 . 1 . . . . 25 Y CB . 16011 1 95 . 1 1 25 25 TYR N N 15 120.9 0.1 . 1 . . . . 25 Y N . 16011 1 96 . 1 1 26 26 CYS H H 1 8.454 0.001 . 1 . . . . 26 C HN . 16011 1 97 . 1 1 26 26 CYS CA C 13 55.59 0.01 . 1 . . . . 26 C CA . 16011 1 98 . 1 1 26 26 CYS CB C 13 40.30 0.01 . 1 . . . . 26 C CB . 16011 1 99 . 1 1 26 26 CYS N N 15 118.9 0.1 . 1 . . . . 26 C N . 16011 1 100 . 1 1 27 27 ASN H H 1 8.455 0.001 . 1 . . . . 27 N HN . 16011 1 101 . 1 1 27 27 ASN CA C 13 53.83 0.01 . 1 . . . . 27 N CA . 16011 1 102 . 1 1 27 27 ASN CB C 13 38.92 0.01 . 1 . . . . 27 N CB . 16011 1 103 . 1 1 27 27 ASN N N 15 120.3 0.1 . 1 . . . . 27 N N . 16011 1 104 . 1 1 28 28 GLN H H 1 8.326 0.001 . 1 . . . . 28 Q HN . 16011 1 105 . 1 1 28 28 GLN CA C 13 56.47 0.01 . 1 . . . . 28 Q CA . 16011 1 106 . 1 1 28 28 GLN CB C 13 29.45 0.01 . 1 . . . . 28 Q CB . 16011 1 107 . 1 1 28 28 GLN N N 15 120.5 0.1 . 1 . . . . 28 Q N . 16011 1 108 . 1 1 29 29 MET H H 1 8.343 0.001 . 1 . . . . 29 M HN . 16011 1 109 . 1 1 29 29 MET CA C 13 56.02 0.01 . 1 . . . . 29 M CA . 16011 1 110 . 1 1 29 29 MET CB C 13 32.87 0.01 . 1 . . . . 29 M CB . 16011 1 111 . 1 1 29 29 MET N N 15 120.7 0.1 . 1 . . . . 29 M N . 16011 1 112 . 1 1 30 30 MET H H 1 8.362 0.001 . 1 . . . . 30 M HN . 16011 1 113 . 1 1 30 30 MET CA C 13 55.86 0.01 . 1 . . . . 30 M CA . 16011 1 114 . 1 1 30 30 MET CB C 13 33.08 0.01 . 1 . . . . 30 M CB . 16011 1 115 . 1 1 30 30 MET N N 15 121.3 0.1 . 1 . . . . 30 M N . 16011 1 116 . 1 1 31 31 LYS H H 1 8.409 0.001 . 1 . . . . 31 K HN . 16011 1 117 . 1 1 31 31 LYS CA C 13 56.65 0.01 . 1 . . . . 31 K CA . 16011 1 118 . 1 1 31 31 LYS CB C 13 33.25 0.01 . 1 . . . . 31 K CB . 16011 1 119 . 1 1 31 31 LYS N N 15 122.6 0.1 . 1 . . . . 31 K N . 16011 1 120 . 1 1 32 32 SER H H 1 8.346 0.001 . 1 . . . . 32 S HN . 16011 1 121 . 1 1 32 32 SER CA C 13 58.41 0.01 . 1 . . . . 32 S CA . 16011 1 122 . 1 1 32 32 SER CB C 13 64.07 0.01 . 1 . . . . 32 S CB . 16011 1 123 . 1 1 32 32 SER N N 15 116.7 0.1 . 1 . . . . 32 S N . 16011 1 124 . 1 1 33 33 ARG H H 1 8.496 0.001 . 1 . . . . 33 R HN . 16011 1 125 . 1 1 33 33 ARG CA C 13 56.42 0.01 . 1 . . . . 33 R CA . 16011 1 126 . 1 1 33 33 ARG CB C 13 30.99 0.01 . 1 . . . . 33 R CB . 16011 1 127 . 1 1 33 33 ARG N N 15 122.9 0.1 . 1 . . . . 33 R N . 16011 1 128 . 1 1 34 34 ASN H H 1 8.494 0.001 . 1 . . . . 34 N HN . 16011 1 129 . 1 1 34 34 ASN CA C 13 53.23 0.01 . 1 . . . . 34 N CA . 16011 1 130 . 1 1 34 34 ASN CB C 13 38.96 0.01 . 1 . . . . 34 N CB . 16011 1 131 . 1 1 34 34 ASN N N 15 119.4 0.1 . 1 . . . . 34 N N . 16011 1 132 . 1 1 35 35 LEU H H 1 8.330 0.001 . 1 . . . . 35 L HN . 16011 1 133 . 1 1 35 35 LEU CA C 13 55.38 0.01 . 1 . . . . 35 L CA . 16011 1 134 . 1 1 35 35 LEU CB C 13 42.41 0.01 . 1 . . . . 35 L CB . 16011 1 135 . 1 1 35 35 LEU N N 15 123.0 0.1 . 1 . . . . 35 L N . 16011 1 136 . 1 1 36 36 THR H H 1 8.206 0.001 . 1 . . . . 36 T HN . 16011 1 137 . 1 1 36 36 THR CA C 13 62.28 0.01 . 1 . . . . 36 T CA . 16011 1 138 . 1 1 36 36 THR CB C 13 69.92 0.01 . 1 . . . . 36 T CB . 16011 1 139 . 1 1 36 36 THR N N 15 114.8 0.1 . 1 . . . . 36 T N . 16011 1 140 . 1 1 37 37 LYS H H 1 8.342 0.001 . 1 . . . . 37 K HN . 16011 1 141 . 1 1 37 37 LYS CA C 13 56.51 0.01 . 1 . . . . 37 K CA . 16011 1 142 . 1 1 37 37 LYS CB C 13 33.22 0.01 . 1 . . . . 37 K CB . 16011 1 143 . 1 1 37 37 LYS N N 15 123.1 0.1 . 1 . . . . 37 K N . 16011 1 144 . 1 1 38 38 ASP H H 1 8.489 0.001 . 1 . . . . 38 D HN . 16011 1 145 . 1 1 38 38 ASP CA C 13 53.00 0.01 . 1 . . . . 38 D CA . 16011 1 146 . 1 1 38 38 ASP CB C 13 38.39 0.01 . 1 . . . . 38 D CB . 16011 1 147 . 1 1 38 38 ASP N N 15 120.0 0.1 . 1 . . . . 38 D N . 16011 1 148 . 1 1 39 39 ARG H H 1 8.443 0.001 . 1 . . . . 39 R HN . 16011 1 149 . 1 1 39 39 ARG CA C 13 56.31 0.01 . 1 . . . . 39 R CA . 16011 1 150 . 1 1 39 39 ARG CB C 13 31.12 0.01 . 1 . . . . 39 R CB . 16011 1 151 . 1 1 39 39 ARG N N 15 121.8 0.1 . 1 . . . . 39 R N . 16011 1 152 . 1 1 40 40 CYS H H 1 8.447 0.001 . 1 . . . . 40 C HN . 16011 1 153 . 1 1 40 40 CYS CA C 13 54.95 0.01 . 1 . . . . 40 C CA . 16011 1 154 . 1 1 40 40 CYS CB C 13 40.86 0.01 . 1 . . . . 40 C CB . 16011 1 155 . 1 1 40 40 CYS N N 15 119.4 0.1 . 1 . . . . 40 C N . 16011 1 156 . 1 1 41 41 LYS H H 1 8.757 0.001 . 1 . . . . 41 K HN . 16011 1 157 . 1 1 41 41 LYS CA C 13 54.61 0.01 . 1 . . . . 41 K CA . 16011 1 158 . 1 1 41 41 LYS CB C 13 32.96 0.01 . 1 . . . . 41 K CB . 16011 1 159 . 1 1 41 41 LYS N N 15 124.7 0.1 . 1 . . . . 41 K N . 16011 1 160 . 1 1 42 42 PRO CA C 13 63.12 0.01 . 1 . . . . 42 P CA . 16011 1 161 . 1 1 42 42 PRO CB C 13 32.21 0.01 . 1 . . . . 42 P CB . 16011 1 162 . 1 1 43 43 VAL H H 1 8.300 0.001 . 1 . . . . 43 V HN . 16011 1 163 . 1 1 43 43 VAL CA C 13 62.17 0.01 . 1 . . . . 43 V CA . 16011 1 164 . 1 1 43 43 VAL CB C 13 33.22 0.01 . 1 . . . . 43 V CB . 16011 1 165 . 1 1 43 43 VAL N N 15 120.3 0.1 . 1 . . . . 43 V N . 16011 1 166 . 1 1 44 44 ASN H H 1 8.551 0.001 . 1 . . . . 44 N HN . 16011 1 167 . 1 1 44 44 ASN CA C 13 53.08 0.01 . 1 . . . . 44 N CA . 16011 1 168 . 1 1 44 44 ASN CB C 13 39.12 0.01 . 1 . . . . 44 N CB . 16011 1 169 . 1 1 44 44 ASN N N 15 122.3 0.1 . 1 . . . . 44 N N . 16011 1 170 . 1 1 45 45 THR H H 1 8.116 0.001 . 1 . . . . 45 T HN . 16011 1 171 . 1 1 45 45 THR CA C 13 61.94 0.01 . 1 . . . . 45 T CA . 16011 1 172 . 1 1 45 45 THR CB C 13 69.73 0.01 . 1 . . . . 45 T CB . 16011 1 173 . 1 1 45 45 THR N N 15 114.4 0.1 . 1 . . . . 45 T N . 16011 1 174 . 1 1 46 46 PHE H H 1 8.262 0.001 . 1 . . . . 46 F HN . 16011 1 175 . 1 1 46 46 PHE CA C 13 57.69 0.01 . 1 . . . . 46 F CA . 16011 1 176 . 1 1 46 46 PHE CB C 13 39.53 0.01 . 1 . . . . 46 F CB . 16011 1 177 . 1 1 46 46 PHE N N 15 122.0 0.1 . 1 . . . . 46 F N . 16011 1 178 . 1 1 47 47 VAL H H 1 8.044 0.001 . 1 . . . . 47 V HN . 16011 1 179 . 1 1 47 47 VAL CA C 13 62.37 0.01 . 1 . . . . 47 V CA . 16011 1 180 . 1 1 47 47 VAL CB C 13 32.96 0.01 . 1 . . . . 47 V CB . 16011 1 181 . 1 1 47 47 VAL N N 15 121.3 0.1 . 1 . . . . 47 V N . 16011 1 182 . 1 1 48 48 HIS H H 1 8.677 0.001 . 1 . . . . 48 H HN . 16011 1 183 . 1 1 48 48 HIS CA C 13 55.31 0.01 . 1 . . . . 48 H CA . 16011 1 184 . 1 1 48 48 HIS CB C 13 28.89 0.01 . 1 . . . . 48 H CB . 16011 1 185 . 1 1 48 48 HIS N N 15 122.5 0.1 . 1 . . . . 48 H N . 16011 1 186 . 1 1 49 49 GLU H H 1 8.513 0.001 . 1 . . . . 49 E HN . 16011 1 187 . 1 1 49 49 GLU CA C 13 55.63 0.01 . 1 . . . . 49 E CA . 16011 1 188 . 1 1 49 49 GLU CB C 13 29.42 0.01 . 1 . . . . 49 E CB . 16011 1 189 . 1 1 49 49 GLU N N 15 122.5 0.1 . 1 . . . . 49 E N . 16011 1 190 . 1 1 50 50 SER H H 1 8.530 0.001 . 1 . . . . 50 S HN . 16011 1 191 . 1 1 50 50 SER CA C 13 58.21 0.01 . 1 . . . . 50 S CA . 16011 1 192 . 1 1 50 50 SER CB C 13 63.95 0.01 . 1 . . . . 50 S CB . 16011 1 193 . 1 1 50 50 SER N N 15 117.8 0.1 . 1 . . . . 50 S N . 16011 1 194 . 1 1 51 51 LEU H H 1 8.439 0.001 . 1 . . . . 51 L HN . 16011 1 195 . 1 1 51 51 LEU CA C 13 55.41 0.01 . 1 . . . . 51 L CA . 16011 1 196 . 1 1 51 51 LEU CB C 13 42.32 0.01 . 1 . . . . 51 L CB . 16011 1 197 . 1 1 51 51 LEU N N 15 124.7 0.1 . 1 . . . . 51 L N . 16011 1 198 . 1 1 52 52 ALA H H 1 8.304 0.001 . 1 . . . . 52 A HN . 16011 1 199 . 1 1 52 52 ALA CA C 13 52.79 0.01 . 1 . . . . 52 A CA . 16011 1 200 . 1 1 52 52 ALA CB C 13 19.21 0.01 . 1 . . . . 52 A CB . 16011 1 201 . 1 1 52 52 ALA N N 15 123.5 0.1 . 1 . . . . 52 A N . 16011 1 202 . 1 1 53 53 ASP H H 1 8.343 0.001 . 1 . . . . 53 D HN . 16011 1 203 . 1 1 53 53 ASP CA C 13 53.10 0.01 . 1 . . . . 53 D CA . 16011 1 204 . 1 1 53 53 ASP CB C 13 38.05 0.01 . 1 . . . . 53 D CB . 16011 1 205 . 1 1 53 53 ASP N N 15 117.8 0.1 . 1 . . . . 53 D N . 16011 1 206 . 1 1 54 54 VAL H H 1 8.005 0.001 . 1 . . . . 54 V HN . 16011 1 207 . 1 1 54 54 VAL CA C 13 62.73 0.01 . 1 . . . . 54 V CA . 16011 1 208 . 1 1 54 54 VAL CB C 13 32.83 0.01 . 1 . . . . 54 V CB . 16011 1 209 . 1 1 54 54 VAL N N 15 120.0 0.1 . 1 . . . . 54 V N . 16011 1 210 . 1 1 55 55 GLN H H 1 8.411 0.001 . 1 . . . . 55 Q HN . 16011 1 211 . 1 1 55 55 GLN CA C 13 56.09 0.01 . 1 . . . . 55 Q CA . 16011 1 212 . 1 1 55 55 GLN CB C 13 29.62 0.01 . 1 . . . . 55 Q CB . 16011 1 213 . 1 1 55 55 GLN N N 15 123.1 0.1 . 1 . . . . 55 Q N . 16011 1 214 . 1 1 56 56 ALA H H 1 8.269 0.001 . 1 . . . . 56 A HN . 16011 1 215 . 1 1 56 56 ALA CA C 13 52.64 0.01 . 1 . . . . 56 A CA . 16011 1 216 . 1 1 56 56 ALA CB C 13 19.44 0.01 . 1 . . . . 56 A CB . 16011 1 217 . 1 1 56 56 ALA N N 15 125.2 0.1 . 1 . . . . 56 A N . 16011 1 218 . 1 1 57 57 VAL H H 1 8.157 0.001 . 1 . . . . 57 V HN . 16011 1 219 . 1 1 57 57 VAL CA C 13 62.52 0.01 . 1 . . . . 57 V CA . 16011 1 220 . 1 1 57 57 VAL CB C 13 33.08 0.01 . 1 . . . . 57 V CB . 16011 1 221 . 1 1 57 57 VAL N N 15 118.8 0.1 . 1 . . . . 57 V N . 16011 1 222 . 1 1 58 58 CYS H H 1 8.511 0.001 . 1 . . . . 58 C HN . 16011 1 223 . 1 1 58 58 CYS CA C 13 55.31 0.01 . 1 . . . . 58 C CA . 16011 1 224 . 1 1 58 58 CYS CB C 13 40.84 0.01 . 1 . . . . 58 C CB . 16011 1 225 . 1 1 58 58 CYS N N 15 121.4 0.1 . 1 . . . . 58 C N . 16011 1 226 . 1 1 59 59 SER CA C 13 58.60 0.01 . 1 . . . . 59 S CA . 16011 1 227 . 1 1 60 60 GLN H H 1 8.515 0.001 . 1 . . . . 60 Q HN . 16011 1 228 . 1 1 60 60 GLN CA C 13 55.85 0.01 . 1 . . . . 60 Q CA . 16011 1 229 . 1 1 60 60 GLN CB C 13 29.75 0.01 . 1 . . . . 60 Q CB . 16011 1 230 . 1 1 60 60 GLN N N 15 122.9 0.1 . 1 . . . . 60 Q N . 16011 1 231 . 1 1 61 61 LYS H H 1 8.413 0.001 . 1 . . . . 61 K HN . 16011 1 232 . 1 1 61 61 LYS CA C 13 56.47 0.01 . 1 . . . . 61 K CA . 16011 1 233 . 1 1 61 61 LYS CB C 13 33.46 0.01 . 1 . . . . 61 K CB . 16011 1 234 . 1 1 61 61 LYS N N 15 122.1 0.1 . 1 . . . . 61 K N . 16011 1 235 . 1 1 62 62 ASN H H 1 8.568 0.001 . 1 . . . . 62 N HN . 16011 1 236 . 1 1 62 62 ASN CA C 13 53.22 0.01 . 1 . . . . 62 N CA . 16011 1 237 . 1 1 62 62 ASN CB C 13 39.05 0.01 . 1 . . . . 62 N CB . 16011 1 238 . 1 1 62 62 ASN N N 15 120.5 0.1 . 1 . . . . 62 N N . 16011 1 239 . 1 1 63 63 VAL H H 1 8.185 0.001 . 1 . . . . 63 V HN . 16011 1 240 . 1 1 63 63 VAL CA C 13 62.06 0.01 . 1 . . . . 63 V CA . 16011 1 241 . 1 1 63 63 VAL CB C 13 33.02 0.01 . 1 . . . . 63 V CB . 16011 1 242 . 1 1 63 63 VAL N N 15 120.3 0.1 . 1 . . . . 63 V N . 16011 1 243 . 1 1 64 64 ALA H H 1 8.363 0.001 . 1 . . . . 64 A HN . 16011 1 244 . 1 1 64 64 ALA CA C 13 52.46 0.01 . 1 . . . . 64 A CA . 16011 1 245 . 1 1 64 64 ALA CB C 13 19.49 0.01 . 1 . . . . 64 A CB . 16011 1 246 . 1 1 64 64 ALA N N 15 127.1 0.1 . 1 . . . . 64 A N . 16011 1 247 . 1 1 65 65 CYS H H 1 8.384 0.001 . 1 . . . . 65 C HN . 16011 1 248 . 1 1 65 65 CYS CA C 13 55.04 0.01 . 1 . . . . 65 C CA . 16011 1 249 . 1 1 65 65 CYS CB C 13 40.80 0.01 . 1 . . . . 65 C CB . 16011 1 250 . 1 1 65 65 CYS N N 15 119.1 0.1 . 1 . . . . 65 C N . 16011 1 251 . 1 1 66 66 LYS H H 1 8.640 0.001 . 1 . . . . 66 K HN . 16011 1 252 . 1 1 66 66 LYS CA C 13 56.68 0.01 . 1 . . . . 66 K CA . 16011 1 253 . 1 1 66 66 LYS CB C 13 33.48 0.01 . 1 . . . . 66 K CB . 16011 1 254 . 1 1 66 66 LYS N N 15 124.1 0.1 . 1 . . . . 66 K N . 16011 1 255 . 1 1 67 67 ASN H H 1 8.597 0.001 . 1 . . . . 67 N HN . 16011 1 256 . 1 1 67 67 ASN CA C 13 54.27 0.01 . 1 . . . . 67 N CA . 16011 1 257 . 1 1 67 67 ASN CB C 13 38.34 0.01 . 1 . . . . 67 N CB . 16011 1 258 . 1 1 67 67 ASN N N 15 118.8 0.1 . 1 . . . . 67 N N . 16011 1 259 . 1 1 68 68 GLY H H 1 8.547 0.001 . 1 . . . . 68 G HN . 16011 1 260 . 1 1 68 68 GLY CA C 13 45.70 0.01 . 1 . . . . 68 G CA . 16011 1 261 . 1 1 68 68 GLY N N 15 110.2 0.1 . 1 . . . . 68 G N . 16011 1 262 . 1 1 69 69 GLN H H 1 7.954 0.001 . 1 . . . . 69 Q HN . 16011 1 263 . 1 1 69 69 GLN CA C 13 56.14 0.01 . 1 . . . . 69 Q CA . 16011 1 264 . 1 1 69 69 GLN CB C 13 29.61 0.01 . 1 . . . . 69 Q CB . 16011 1 265 . 1 1 69 69 GLN N N 15 119.8 0.1 . 1 . . . . 69 Q N . 16011 1 266 . 1 1 70 70 THR H H 1 8.355 0.001 . 1 . . . . 70 T HN . 16011 1 267 . 1 1 70 70 THR CA C 13 62.69 0.01 . 1 . . . . 70 T CA . 16011 1 268 . 1 1 70 70 THR CB C 13 69.77 0.01 . 1 . . . . 70 T CB . 16011 1 269 . 1 1 70 70 THR N N 15 114.0 0.1 . 1 . . . . 70 T N . 16011 1 270 . 1 1 71 71 ASN H H 1 8.436 0.001 . 1 . . . . 71 N HN . 16011 1 271 . 1 1 71 71 ASN CA C 13 53.32 0.01 . 1 . . . . 71 N CA . 16011 1 272 . 1 1 71 71 ASN CB C 13 38.25 0.01 . 1 . . . . 71 N CB . 16011 1 273 . 1 1 71 71 ASN N N 15 119.0 0.1 . 1 . . . . 71 N N . 16011 1 274 . 1 1 72 72 CYS H H 1 8.148 0.001 . 1 . . . . 72 C HN . 16011 1 275 . 1 1 72 72 CYS CA C 13 56.50 0.01 . 1 . . . . 72 C CA . 16011 1 276 . 1 1 72 72 CYS CB C 13 41.36 0.01 . 1 . . . . 72 C CB . 16011 1 277 . 1 1 72 72 CYS N N 15 117.8 0.1 . 1 . . . . 72 C N . 16011 1 278 . 1 1 73 73 TYR H H 1 8.345 0.001 . 1 . . . . 73 Y HN . 16011 1 279 . 1 1 73 73 TYR CA C 13 57.94 0.01 . 1 . . . . 73 Y CA . 16011 1 280 . 1 1 73 73 TYR CB C 13 38.95 0.01 . 1 . . . . 73 Y CB . 16011 1 281 . 1 1 73 73 TYR N N 15 121.9 0.1 . 1 . . . . 73 Y N . 16011 1 282 . 1 1 74 74 GLN H H 1 8.351 0.001 . 1 . . . . 74 Q HN . 16011 1 283 . 1 1 74 74 GLN CA C 13 55.70 0.01 . 1 . . . . 74 Q CA . 16011 1 284 . 1 1 74 74 GLN CB C 13 29.92 0.01 . 1 . . . . 74 Q CB . 16011 1 285 . 1 1 74 74 GLN N N 15 122.2 0.1 . 1 . . . . 74 Q N . 16011 1 286 . 1 1 75 75 SER H H 1 8.338 0.001 . 1 . . . . 75 S HN . 16011 1 287 . 1 1 75 75 SER CA C 13 58.24 0.01 . 1 . . . . 75 S CA . 16011 1 288 . 1 1 75 75 SER CB C 13 64.02 0.01 . 1 . . . . 75 S CB . 16011 1 289 . 1 1 75 75 SER N N 15 117.4 0.1 . 1 . . . . 75 S N . 16011 1 290 . 1 1 76 76 TYR H H 1 8.286 0.001 . 1 . . . . 76 Y HN . 16011 1 291 . 1 1 76 76 TYR CA C 13 57.97 0.01 . 1 . . . . 76 Y CA . 16011 1 292 . 1 1 76 76 TYR CB C 13 39.20 0.01 . 1 . . . . 76 Y CB . 16011 1 293 . 1 1 76 76 TYR N N 15 122.1 0.1 . 1 . . . . 76 Y N . 16011 1 294 . 1 1 77 77 SER H H 1 8.373 0.001 . 1 . . . . 77 S HN . 16011 1 295 . 1 1 77 77 SER CA C 13 58.20 0.01 . 1 . . . . 77 S CA . 16011 1 296 . 1 1 77 77 SER CB C 13 64.22 0.01 . 1 . . . . 77 S CB . 16011 1 297 . 1 1 77 77 SER N N 15 117.1 0.1 . 1 . . . . 77 S N . 16011 1 298 . 1 1 78 78 THR H H 1 8.308 0.001 . 1 . . . . 78 T HN . 16011 1 299 . 1 1 78 78 THR CA C 13 61.95 0.01 . 1 . . . . 78 T CA . 16011 1 300 . 1 1 78 78 THR CB C 13 69.87 0.01 . 1 . . . . 78 T CB . 16011 1 301 . 1 1 78 78 THR N N 15 115.8 0.1 . 1 . . . . 78 T N . 16011 1 302 . 1 1 79 79 MET H H 1 8.339 0.001 . 1 . . . . 79 M HN . 16011 1 303 . 1 1 79 79 MET CA C 13 55.74 0.01 . 1 . . . . 79 M CA . 16011 1 304 . 1 1 79 79 MET CB C 13 33.39 0.01 . 1 . . . . 79 M CB . 16011 1 305 . 1 1 79 79 MET N N 15 122.3 0.1 . 1 . . . . 79 M N . 16011 1 306 . 1 1 80 80 SER H H 1 8.397 0.001 . 1 . . . . 80 S HN . 16011 1 307 . 1 1 80 80 SER CA C 13 58.37 0.01 . 1 . . . . 80 S CA . 16011 1 308 . 1 1 80 80 SER CB C 13 63.97 0.01 . 1 . . . . 80 S CB . 16011 1 309 . 1 1 80 80 SER N N 15 117.5 0.1 . 1 . . . . 80 S N . 16011 1 310 . 1 1 81 81 ILE CA C 13 61.54 0.01 . 1 . . . . 81 I CA . 16011 1 311 . 1 1 81 81 ILE CB C 13 38.87 0.01 . 1 . . . . 81 I CB . 16011 1 312 . 1 1 82 82 THR H H 1 8.213 0.001 . 1 . . . . 82 T HN . 16011 1 313 . 1 1 82 82 THR CA C 13 61.86 0.01 . 1 . . . . 82 T CA . 16011 1 314 . 1 1 82 82 THR CB C 13 69.86 0.01 . 1 . . . . 82 T CB . 16011 1 315 . 1 1 82 82 THR N N 15 117.1 0.1 . 1 . . . . 82 T N . 16011 1 316 . 1 1 83 83 ASP H H 1 8.450 0.001 . 1 . . . . 83 D HN . 16011 1 317 . 1 1 83 83 ASP CA C 13 53.03 0.01 . 1 . . . . 83 D CA . 16011 1 318 . 1 1 83 83 ASP CB C 13 38.48 0.01 . 1 . . . . 83 D CB . 16011 1 319 . 1 1 83 83 ASP N N 15 121.2 0.1 . 1 . . . . 83 D N . 16011 1 320 . 1 1 84 84 CYS H H 1 8.474 0.001 . 1 . . . . 84 C HN . 16011 1 321 . 1 1 84 84 CYS CA C 13 55.26 0.01 . 1 . . . . 84 C CA . 16011 1 322 . 1 1 84 84 CYS CB C 13 40.49 0.01 . 1 . . . . 84 C CB . 16011 1 323 . 1 1 84 84 CYS N N 15 119.3 0.1 . 1 . . . . 84 C N . 16011 1 324 . 1 1 86 86 GLU CA C 13 55.81 0.01 . 1 . . . . 86 E CA . 16011 1 325 . 1 1 86 86 GLU CB C 13 29.11 0.01 . 1 . . . . 86 E CB . 16011 1 326 . 1 1 87 87 THR H H 1 8.310 0.001 . 1 . . . . 87 T HN . 16011 1 327 . 1 1 87 87 THR CA C 13 61.93 0.01 . 1 . . . . 87 T CA . 16011 1 328 . 1 1 87 87 THR CB C 13 70.09 0.01 . 1 . . . . 87 T CB . 16011 1 329 . 1 1 87 87 THR N N 15 114.9 0.1 . 1 . . . . 87 T N . 16011 1 330 . 1 1 88 88 GLY H H 1 8.435 0.001 . 1 . . . . 88 G HN . 16011 1 331 . 1 1 88 88 GLY CA C 13 45.40 0.01 . 1 . . . . 88 G CA . 16011 1 332 . 1 1 88 88 GLY N N 15 110.7 0.1 . 1 . . . . 88 G N . 16011 1 333 . 1 1 89 89 SER H H 1 8.282 0.001 . 1 . . . . 89 S HN . 16011 1 334 . 1 1 89 89 SER CA C 13 58.33 0.01 . 1 . . . . 89 S CA . 16011 1 335 . 1 1 89 89 SER CB C 13 64.12 0.01 . 1 . . . . 89 S CB . 16011 1 336 . 1 1 89 89 SER N N 15 115.3 0.1 . 1 . . . . 89 S N . 16011 1 337 . 1 1 90 90 SER H H 1 8.454 0.001 . 1 . . . . 90 S HN . 16011 1 338 . 1 1 90 90 SER CA C 13 58.46 0.01 . 1 . . . . 90 S CA . 16011 1 339 . 1 1 90 90 SER CB C 13 63.86 0.01 . 1 . . . . 90 S CB . 16011 1 340 . 1 1 90 90 SER N N 15 118.0 0.1 . 1 . . . . 90 S N . 16011 1 341 . 1 1 91 91 LYS H H 1 8.303 0.001 . 1 . . . . 91 K HN . 16011 1 342 . 1 1 91 91 LYS CA C 13 56.91 0.01 . 1 . . . . 91 K CA . 16011 1 343 . 1 1 91 91 LYS CB C 13 33.36 0.01 . 1 . . . . 91 K CB . 16011 1 344 . 1 1 91 91 LYS N N 15 123.0 0.1 . 1 . . . . 91 K N . 16011 1 345 . 1 1 92 92 TYR H H 1 8.141 0.001 . 1 . . . . 92 Y HN . 16011 1 346 . 1 1 92 92 TYR CA C 13 55.47 0.01 . 1 . . . . 92 Y CA . 16011 1 347 . 1 1 92 92 TYR CB C 13 38.57 0.01 . 1 . . . . 92 Y CB . 16011 1 348 . 1 1 92 92 TYR N N 15 120.6 0.1 . 1 . . . . 92 Y N . 16011 1 349 . 1 1 93 93 PRO CA C 13 63.14 0.01 . 1 . . . . 93 P CA . 16011 1 350 . 1 1 93 93 PRO CB C 13 32.32 0.01 . 1 . . . . 93 P CB . 16011 1 351 . 1 1 94 94 ASN H H 1 8.550 0.001 . 1 . . . . 94 N HN . 16011 1 352 . 1 1 94 94 ASN CA C 13 53.30 0.01 . 1 . . . . 94 N CA . 16011 1 353 . 1 1 94 94 ASN CB C 13 38.96 0.01 . 1 . . . . 94 N CB . 16011 1 354 . 1 1 94 94 ASN N N 15 119.1 0.1 . 1 . . . . 94 N N . 16011 1 355 . 1 1 95 95 CYS CA C 13 55.16 0.01 . 1 . . . . 95 C CA . 16011 1 356 . 1 1 96 96 ALA H H 1 8.421 0.001 . 1 . . . . 96 A HN . 16011 1 357 . 1 1 96 96 ALA CA C 13 52.57 0.01 . 1 . . . . 96 A CA . 16011 1 358 . 1 1 96 96 ALA CB C 13 19.37 0.01 . 1 . . . . 96 A CB . 16011 1 359 . 1 1 96 96 ALA N N 15 125.2 0.1 . 1 . . . . 96 A N . 16011 1 360 . 1 1 97 97 TYR H H 1 8.135 0.001 . 1 . . . . 97 Y HN . 16011 1 361 . 1 1 97 97 TYR CA C 13 57.64 0.01 . 1 . . . . 97 Y CA . 16011 1 362 . 1 1 97 97 TYR CB C 13 39.23 0.01 . 1 . . . . 97 Y CB . 16011 1 363 . 1 1 97 97 TYR N N 15 120.1 0.1 . 1 . . . . 97 Y N . 16011 1 364 . 1 1 98 98 LYS H H 1 8.408 0.001 . 1 . . . . 98 K HN . 16011 1 365 . 1 1 98 98 LYS CA C 13 56.25 0.01 . 1 . . . . 98 K CA . 16011 1 366 . 1 1 98 98 LYS CB C 13 33.52 0.01 . 1 . . . . 98 K CB . 16011 1 367 . 1 1 98 98 LYS N N 15 123.4 0.1 . 1 . . . . 98 K N . 16011 1 368 . 1 1 99 99 THR H H 1 8.316 0.001 . 1 . . . . 99 T HN . 16011 1 369 . 1 1 99 99 THR CA C 13 61.55 0.01 . 1 . . . . 99 T CA . 16011 1 370 . 1 1 99 99 THR N N 15 115.5 0.1 . 1 . . . . 99 T N . 16011 1 371 . 1 1 100 100 THR H H 1 8.277 0.001 . 1 . . . . 100 T HN . 16011 1 372 . 1 1 100 100 THR CA C 13 61.81 0.01 . 1 . . . . 100 T CA . 16011 1 373 . 1 1 100 100 THR CB C 13 70.07 0.01 . 1 . . . . 100 T CB . 16011 1 374 . 1 1 100 100 THR N N 15 115.6 0.1 . 1 . . . . 100 T N . 16011 1 375 . 1 1 101 101 GLN H H 1 8.441 0.001 . 1 . . . . 101 Q HN . 16011 1 376 . 1 1 101 101 GLN CA C 13 55.92 0.01 . 1 . . . . 101 Q CA . 16011 1 377 . 1 1 101 101 GLN CB C 13 29.70 0.01 . 1 . . . . 101 Q CB . 16011 1 378 . 1 1 101 101 GLN N N 15 122.5 0.1 . 1 . . . . 101 Q N . 16011 1 379 . 1 1 102 102 ALA H H 1 8.369 0.001 . 1 . . . . 102 A HN . 16011 1 380 . 1 1 102 102 ALA CA C 13 52.74 0.01 . 1 . . . . 102 A CA . 16011 1 381 . 1 1 102 102 ALA CB C 13 19.34 0.01 . 1 . . . . 102 A CB . 16011 1 382 . 1 1 102 102 ALA N N 15 125.0 0.1 . 1 . . . . 102 A N . 16011 1 383 . 1 1 103 103 ASN H H 1 8.401 0.001 . 1 . . . . 103 N HN . 16011 1 384 . 1 1 103 103 ASN CA C 13 53.20 0.01 . 1 . . . . 103 N CA . 16011 1 385 . 1 1 103 103 ASN CB C 13 38.90 0.01 . 1 . . . . 103 N CB . 16011 1 386 . 1 1 103 103 ASN N N 15 117.9 0.1 . 1 . . . . 103 N N . 16011 1 387 . 1 1 104 104 LYS H H 1 8.296 0.001 . 1 . . . . 104 K HN . 16011 1 388 . 1 1 104 104 LYS CA C 13 56.47 0.01 . 1 . . . . 104 K CA . 16011 1 389 . 1 1 104 104 LYS CB C 13 33.30 0.01 . 1 . . . . 104 K CB . 16011 1 390 . 1 1 104 104 LYS N N 15 121.5 0.1 . 1 . . . . 104 K N . 16011 1 391 . 1 1 105 105 HIS H H 1 8.664 0.001 . 1 . . . . 105 H HN . 16011 1 392 . 1 1 105 105 HIS CA C 13 55.18 0.01 . 1 . . . . 105 H CA . 16011 1 393 . 1 1 105 105 HIS CB C 13 29.09 0.01 . 1 . . . . 105 H CB . 16011 1 394 . 1 1 105 105 HIS N N 15 119.8 0.1 . 1 . . . . 105 H N . 16011 1 395 . 1 1 106 106 ILE H H 1 8.305 0.001 . 1 . . . . 106 I HN . 16011 1 396 . 1 1 106 106 ILE CA C 13 61.03 0.01 . 1 . . . . 106 I CA . 16011 1 397 . 1 1 106 106 ILE CB C 13 38.99 0.01 . 1 . . . . 106 I CB . 16011 1 398 . 1 1 106 106 ILE N N 15 123.0 0.1 . 1 . . . . 106 I N . 16011 1 399 . 1 1 107 107 ILE H H 1 8.462 0.001 . 1 . . . . 107 I HN . 16011 1 400 . 1 1 107 107 ILE CA C 13 60.83 0.01 . 1 . . . . 107 I CA . 16011 1 401 . 1 1 107 107 ILE CB C 13 38.47 0.01 . 1 . . . . 107 I CB . 16011 1 402 . 1 1 107 107 ILE N N 15 126.4 0.1 . 1 . . . . 107 I N . 16011 1 403 . 1 1 108 108 VAL H H 1 8.405 0.001 . 1 . . . . 108 V HN . 16011 1 404 . 1 1 108 108 VAL CA C 13 61.97 0.01 . 1 . . . . 108 V CA . 16011 1 405 . 1 1 108 108 VAL CB C 13 32.97 0.01 . 1 . . . . 108 V CB . 16011 1 406 . 1 1 108 108 VAL N N 15 125.7 0.1 . 1 . . . . 108 V N . 16011 1 407 . 1 1 109 109 ALA H H 1 8.443 0.001 . 1 . . . . 109 A HN . 16011 1 408 . 1 1 109 109 ALA CA C 13 52.24 0.01 . 1 . . . . 109 A CA . 16011 1 409 . 1 1 109 109 ALA CB C 13 19.55 0.01 . 1 . . . . 109 A CB . 16011 1 410 . 1 1 109 109 ALA N N 15 127.6 0.1 . 1 . . . . 109 A N . 16011 1 411 . 1 1 110 110 CYS H H 1 8.486 0.001 . 1 . . . . 110 C HN . 16011 1 412 . 1 1 110 110 CYS CA C 13 55.22 0.01 . 1 . . . . 110 C CA . 16011 1 413 . 1 1 110 110 CYS CB C 13 40.78 0.01 . 1 . . . . 110 C CB . 16011 1 414 . 1 1 110 110 CYS N N 15 118.6 0.1 . 1 . . . . 110 C N . 16011 1 415 . 1 1 111 111 GLU CA C 13 55.91 0.01 . 1 . . . . 111 E CA . 16011 1 416 . 1 1 111 111 GLU CB C 13 29.27 0.01 . 1 . . . . 111 E CB . 16011 1 417 . 1 1 112 112 GLY H H 1 8.428 0.001 . 1 . . . . 112 G HN . 16011 1 418 . 1 1 112 112 GLY CA C 13 45.01 0.01 . 1 . . . . 112 G CA . 16011 1 419 . 1 1 112 112 GLY N N 15 109.8 0.1 . 1 . . . . 112 G N . 16011 1 420 . 1 1 113 113 ASN H H 1 8.436 0.001 . 1 . . . . 113 N HN . 16011 1 421 . 1 1 113 113 ASN CA C 13 51.32 0.01 . 1 . . . . 113 N CA . 16011 1 422 . 1 1 113 113 ASN CB C 13 39.05 0.01 . 1 . . . . 113 N CB . 16011 1 423 . 1 1 113 113 ASN N N 15 119.4 0.1 . 1 . . . . 113 N N . 16011 1 424 . 1 1 114 114 PRO CA C 13 63.39 0.001 . 1 . . . . 114 P CA . 16011 1 425 . 1 1 114 114 PRO CB C 13 32.05 0.01 . 1 . . . . 114 P CB . 16011 1 426 . 1 1 115 115 TYR H H 1 8.275 0.001 . 1 . . . . 115 Y HN . 16011 1 427 . 1 1 115 115 TYR CA C 13 58.06 0.01 . 1 . . . . 115 Y CA . 16011 1 428 . 1 1 115 115 TYR CB C 13 38.75 0.01 . 1 . . . . 115 Y CB . 16011 1 429 . 1 1 115 115 TYR N N 15 120.8 0.1 . 1 . . . . 115 Y N . 16011 1 430 . 1 1 116 116 VAL H H 1 7.885 0.001 . 1 . . . . 116 V HN . 16011 1 431 . 1 1 116 116 VAL CA C 13 59.30 0.01 . 1 . . . . 116 V CA . 16011 1 432 . 1 1 116 116 VAL CB C 13 33.29 0.01 . 1 . . . . 116 V CB . 16011 1 433 . 1 1 116 116 VAL N N 15 124.8 0.1 . 1 . . . . 116 V N . 16011 1 434 . 1 1 117 117 PRO CA C 13 62.95 0.01 . 1 . . . . 117 P CA . 16011 1 435 . 1 1 117 117 PRO CB C 13 32.23 0.01 . 1 . . . . 117 P CB . 16011 1 436 . 1 1 118 118 VAL H H 1 8.143 0.001 . 1 . . . . 118 V HN . 16011 1 437 . 1 1 118 118 VAL CA C 13 62.38 0.01 . 1 . . . . 118 V CA . 16011 1 438 . 1 1 118 118 VAL CB C 13 33.03 0.01 . 1 . . . . 118 V CB . 16011 1 439 . 1 1 118 118 VAL N N 15 120.3 0.1 . 1 . . . . 118 V N . 16011 1 440 . 1 1 119 119 HIS H H 1 8.566 0.001 . 1 . . . . 119 H HN . 16011 1 441 . 1 1 119 119 HIS CA C 13 54.87 0.01 . 1 . . . . 119 H CA . 16011 1 442 . 1 1 119 119 HIS CB C 13 29.35 0.01 . 1 . . . . 119 H CB . 16011 1 443 . 1 1 119 119 HIS N N 15 122.1 0.1 . 1 . . . . 119 H N . 16011 1 444 . 1 1 120 120 PHE H H 1 8.484 0.001 . 1 . . . . 120 F HN . 16011 1 445 . 1 1 120 120 PHE CA C 13 57.76 0.01 . 1 . . . . 120 F CA . 16011 1 446 . 1 1 120 120 PHE CB C 13 39.98 0.01 . 1 . . . . 120 F CB . 16011 1 447 . 1 1 120 120 PHE N N 15 123.1 0.1 . 1 . . . . 120 F N . 16011 1 448 . 1 1 121 121 ASP H H 1 8.665 0.001 . 1 . . . . 121 D HN . 16011 1 449 . 1 1 121 121 ASP CA C 13 52.69 0.01 . 1 . . . . 121 D CA . 16011 1 450 . 1 1 121 121 ASP CB C 13 38.35 0.01 . 1 . . . . 121 D CB . 16011 1 451 . 1 1 121 121 ASP N N 15 122.1 0.1 . 1 . . . . 121 D N . 16011 1 452 . 1 1 122 122 ALA H H 1 8.260 0.001 . 1 . . . . 122 A HN . 16011 1 453 . 1 1 122 122 ALA CA C 13 52.64 0.01 . 1 . . . . 122 A CA . 16011 1 454 . 1 1 122 122 ALA CB C 13 19.52 0.01 . 1 . . . . 122 A CB . 16011 1 455 . 1 1 122 122 ALA N N 15 125.0 0.1 . 1 . . . . 122 A N . 16011 1 456 . 1 1 123 123 SER H H 1 8.282 0.001 . 1 . . . . 123 S HN . 16011 1 457 . 1 1 123 123 SER CA C 13 58.50 0.01 . 1 . . . . 123 S CA . 16011 1 458 . 1 1 123 123 SER CB C 13 63.94 0.01 . 1 . . . . 123 S CB . 16011 1 459 . 1 1 123 123 SER N N 15 115.0 0.1 . 1 . . . . 123 S N . 16011 1 460 . 1 1 124 124 VAL H H 1 8.070 0.001 . 1 . . . . 124 V HN . 16011 1 461 . 1 1 124 124 VAL CA C 13 61.32 0.01 . 1 . . . . 124 V CA . 16011 1 462 . 1 1 124 124 VAL CB C 13 32.93 0.01 . 1 . . . . 124 V CB . 16011 1 463 . 1 1 124 124 VAL N N 15 120.3 0.1 . 1 . . . . 124 V N . 16011 1 stop_ save_