################################### # 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 15901 _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' . . . 15901 1 1 '2D 1H-15N HSQC' . . . 15901 1 1 '2D 1H-15N HSQC' . . . 15901 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 . . 15901 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 ALA CA C 13 51.882 . . 1 . . . . 1 A CA . 15901 1 2 . 1 1 1 1 ALA CB C 13 19.498 . . 1 . . . . 1 A CB . 15901 1 3 . 1 1 2 2 THR H H 1 8.617 . . 1 . . . . 2 T H . 15901 1 4 . 1 1 2 2 THR CA C 13 62.016 . . 1 . . . . 2 T CA . 15901 1 5 . 1 1 2 2 THR CB C 13 69.937 . . 1 . . . . 2 T CB . 15901 1 6 . 1 1 2 2 THR N N 15 115.017 . . 1 . . . . 2 T N . 15901 1 7 . 1 1 3 3 SER H H 1 8.532 . . 1 . . . . 3 S H . 15901 1 8 . 1 1 3 3 SER CA C 13 58.133 . . 1 . . . . 3 S CA . 15901 1 9 . 1 1 3 3 SER CB C 13 63.955 . . 1 . . . . 3 S CB . 15901 1 10 . 1 1 3 3 SER N N 15 118.862 . . 1 . . . . 3 S N . 15901 1 11 . 1 1 4 4 THR H H 1 8.317 . . 1 . . . . 4 T H . 15901 1 12 . 1 1 4 4 THR CA C 13 61.923 . . 1 . . . . 4 T CA . 15901 1 13 . 1 1 4 4 THR CB C 13 69.753 . . 1 . . . . 4 T CB . 15901 1 14 . 1 1 4 4 THR N N 15 116.925 . . 1 . . . . 4 T N . 15901 1 15 . 1 1 5 5 LYS H H 1 8.343 . . 1 . . . . 5 K H . 15901 1 16 . 1 1 5 5 LYS CA C 13 56.349 . . 1 . . . . 5 K CA . 15901 1 17 . 1 1 5 5 LYS CB C 13 33.072 . . 1 . . . . 5 K CB . 15901 1 18 . 1 1 5 5 LYS N N 15 124.13 . . 1 . . . . 5 K N . 15901 1 19 . 1 1 6 6 LYS H H 1 8.256 . . 1 . . . . 6 K H . 15901 1 20 . 1 1 6 6 LYS CA C 13 55.957 . . 1 . . . . 6 K CA . 15901 1 21 . 1 1 6 6 LYS CB C 13 33.631 . . 1 . . . . 6 K CB . 15901 1 22 . 1 1 6 6 LYS N N 15 122.713 . . 1 . . . . 6 K N . 15901 1 23 . 1 1 7 7 LEU H H 1 8.413 . . 1 . . . . 7 L H . 15901 1 24 . 1 1 7 7 LEU CA C 13 54.666 . . 1 . . . . 7 L CA . 15901 1 25 . 1 1 7 7 LEU CB C 13 41.458 . . 1 . . . . 7 L CB . 15901 1 26 . 1 1 7 7 LEU N N 15 122.496 . . 1 . . . . 7 L N . 15901 1 27 . 1 1 8 8 HIS H H 1 8.914 . . 1 . . . . 8 H H . 15901 1 28 . 1 1 8 8 HIS CA C 13 54.729 . . 1 . . . . 8 H CA . 15901 1 29 . 1 1 8 8 HIS CB C 13 30.891 . . 1 . . . . 8 H CB . 15901 1 30 . 1 1 8 8 HIS N N 15 117.63 . . 1 . . . . 8 H N . 15901 1 31 . 1 1 9 9 LYS H H 1 8.627 . . 1 . . . . 9 K H . 15901 1 32 . 1 1 9 9 LYS CA C 13 56.134 . . 1 . . . . 9 K CA . 15901 1 33 . 1 1 9 9 LYS CB C 13 34.632 . . 1 . . . . 9 K CB . 15901 1 34 . 1 1 9 9 LYS N N 15 124.016 . . 1 . . . . 9 K N . 15901 1 35 . 1 1 10 10 GLU H H 1 9.439 . . 1 . . . . 10 E H . 15901 1 36 . 1 1 10 10 GLU CA C 13 53.424 . . 1 . . . . 10 E CA . 15901 1 37 . 1 1 10 10 GLU CB C 13 33.105 . . 1 . . . . 10 E CB . 15901 1 38 . 1 1 10 10 GLU N N 15 123.05 . . 1 . . . . 10 E N . 15901 1 39 . 1 1 11 11 PRO CA C 13 63.252 . . 1 . . . . 11 P CA . 15901 1 40 . 1 1 11 11 PRO CB C 13 33.215 . . 1 . . . . 11 P CB . 15901 1 41 . 1 1 12 12 ALA H H 1 8.063 . . 1 . . . . 12 A H . 15901 1 42 . 1 1 12 12 ALA CA C 13 51.668 . . 1 . . . . 12 A CA . 15901 1 43 . 1 1 12 12 ALA CB C 13 24.765 . . 1 . . . . 12 A CB . 15901 1 44 . 1 1 12 12 ALA N N 15 119.762 . . 1 . . . . 12 A N . 15901 1 45 . 1 1 13 13 THR H H 1 8.109 . . 1 . . . . 13 T H . 15901 1 46 . 1 1 13 13 THR CA C 13 60.503 . . 1 . . . . 13 T CA . 15901 1 47 . 1 1 13 13 THR CB C 13 71.561 . . 1 . . . . 13 T CB . 15901 1 48 . 1 1 13 13 THR N N 15 108.771 . . 1 . . . . 13 T N . 15901 1 49 . 1 1 14 14 LEU H H 1 9.194 . . 1 . . . . 14 L H . 15901 1 50 . 1 1 14 14 LEU CA C 13 56.782 . . 1 . . . . 14 L CA . 15901 1 51 . 1 1 14 14 LEU CB C 13 42.956 . . 1 . . . . 14 L CB . 15901 1 52 . 1 1 14 14 LEU N N 15 125.081 . . 1 . . . . 14 L N . 15901 1 53 . 1 1 15 15 ILE H H 1 8.439 . . 1 . . . . 15 I H . 15901 1 54 . 1 1 15 15 ILE CA C 13 64.172 . . 1 . . . . 15 I CA . 15901 1 55 . 1 1 15 15 ILE CB C 13 38.946 . . 1 . . . . 15 I CB . 15901 1 56 . 1 1 15 15 ILE N N 15 125.13 . . 1 . . . . 15 I N . 15901 1 57 . 1 1 16 16 LYS H H 1 8.099 . . 1 . . . . 16 K H . 15901 1 58 . 1 1 16 16 LYS CA C 13 56.486 . . 1 . . . . 16 K CA . 15901 1 59 . 1 1 16 16 LYS CB C 13 35.716 . . 1 . . . . 16 K CB . 15901 1 60 . 1 1 16 16 LYS N N 15 114.577 . . 1 . . . . 16 K N . 15901 1 61 . 1 1 17 17 ALA H H 1 9.489 . . 1 . . . . 17 A H . 15901 1 62 . 1 1 17 17 ALA CA C 13 52.396 . . 1 . . . . 17 A CA . 15901 1 63 . 1 1 17 17 ALA CB C 13 18.421 . . 1 . . . . 17 A CB . 15901 1 64 . 1 1 17 17 ALA N N 15 129.699 . . 1 . . . . 17 A N . 15901 1 65 . 1 1 18 18 ILE H H 1 8.067 . . 1 . . . . 18 I H . 15901 1 66 . 1 1 18 18 ILE CA C 13 63.331 . . 1 . . . . 18 I CA . 15901 1 67 . 1 1 18 18 ILE CB C 13 38.316 . . 1 . . . . 18 I CB . 15901 1 68 . 1 1 18 18 ILE N N 15 123.578 . . 1 . . . . 18 I N . 15901 1 69 . 1 1 19 19 ASP H H 1 8.25 . . 1 . . . . 19 D H . 15901 1 70 . 1 1 19 19 ASP CA C 13 53.893 . . 1 . . . . 19 D CA . 15901 1 71 . 1 1 19 19 ASP CB C 13 39.546 . . 1 . . . . 19 D CB . 15901 1 72 . 1 1 19 19 ASP N N 15 119.309 . . 1 . . . . 19 D N . 15901 1 73 . 1 1 20 20 GLY H H 1 8.426 . . 1 . . . . 20 G H . 15901 1 74 . 1 1 20 20 GLY CA C 13 47.781 . . 1 . . . . 20 G CA . 15901 1 75 . 1 1 20 20 GLY N N 15 103.205 . . 1 . . . . 20 G N . 15901 1 76 . 1 1 21 21 ASP H H 1 7.718 . . 1 . . . . 21 D H . 15901 1 77 . 1 1 21 21 ASP CA C 13 51.144 . . 1 . . . . 21 D CA . 15901 1 78 . 1 1 21 21 ASP CB C 13 38.526 . . 1 . . . . 21 D CB . 15901 1 79 . 1 1 21 21 ASP N N 15 110.574 . . 1 . . . . 21 D N . 15901 1 80 . 1 1 22 22 THR H H 1 7.594 . . 1 . . . . 22 T H . 15901 1 81 . 1 1 22 22 THR CA C 13 61.633 . . 1 . . . . 22 T CA . 15901 1 82 . 1 1 22 22 THR CB C 13 70.291 . . 1 . . . . 22 T CB . 15901 1 83 . 1 1 22 22 THR N N 15 115.289 . . 1 . . . . 22 T N . 15901 1 84 . 1 1 23 23 VAL H H 1 9.029 . . 1 . . . . 23 V H . 15901 1 85 . 1 1 23 23 VAL CA C 13 60.084 . . 1 . . . . 23 V CA . 15901 1 86 . 1 1 23 23 VAL CB C 13 36.379 . . 1 . . . . 23 V CB . 15901 1 87 . 1 1 23 23 VAL N N 15 119.319 . . 1 . . . . 23 V N . 15901 1 88 . 1 1 24 24 LYS H H 1 9.496 . . 1 . . . . 24 K H . 15901 1 89 . 1 1 24 24 LYS CA C 13 55.949 . . 1 . . . . 24 K CA . 15901 1 90 . 1 1 24 24 LYS CB C 13 34.662 . . 1 . . . . 24 K CB . 15901 1 91 . 1 1 24 24 LYS N N 15 127.279 . . 1 . . . . 24 K N . 15901 1 92 . 1 1 25 25 LEU H H 1 9.422 . . 1 . . . . 25 L H . 15901 1 93 . 1 1 25 25 LEU CA C 13 53.113 . . 1 . . . . 25 L CA . 15901 1 94 . 1 1 25 25 LEU CB C 13 45.528 . . 1 . . . . 25 L CB . 15901 1 95 . 1 1 25 25 LEU N N 15 127.235 . . 1 . . . . 25 L N . 15901 1 96 . 1 1 26 26 MET H H 1 9.572 . . 1 . . . . 26 M H . 15901 1 97 . 1 1 26 26 MET CA C 13 54.652 . . 1 . . . . 26 M CA . 15901 1 98 . 1 1 26 26 MET CB C 13 31.449 . . 1 . . . . 26 M CB . 15901 1 99 . 1 1 26 26 MET N N 15 122.18 . . 1 . . . . 26 M N . 15901 1 100 . 1 1 27 27 TYR H H 1 9.085 . . 1 . . . . 27 Y H . 15901 1 101 . 1 1 27 27 TYR CA C 13 56.83 . . 1 . . . . 27 Y CA . 15901 1 102 . 1 1 27 27 TYR CB C 13 41.973 . . 1 . . . . 27 Y CB . 15901 1 103 . 1 1 27 27 TYR N N 15 129.755 . . 1 . . . . 27 Y N . 15901 1 104 . 1 1 28 28 LYS H H 1 9.337 . . 1 . . . . 28 K H . 15901 1 105 . 1 1 28 28 LYS CA C 13 57.461 . . 1 . . . . 28 K CA . 15901 1 106 . 1 1 28 28 LYS CB C 13 29.772 . . 1 . . . . 28 K CB . 15901 1 107 . 1 1 28 28 LYS N N 15 127.514 . . 1 . . . . 28 K N . 15901 1 108 . 1 1 29 29 GLY H H 1 8.479 . . 1 . . . . 29 G H . 15901 1 109 . 1 1 29 29 GLY CA C 13 45.59 . . 1 . . . . 29 G CA . 15901 1 110 . 1 1 29 29 GLY N N 15 102.43 . . 1 . . . . 29 G N . 15901 1 111 . 1 1 30 30 GLN H H 1 7.802 . . 1 . . . . 30 Q H . 15901 1 112 . 1 1 30 30 GLN CA C 13 52.49 . . 1 . . . . 30 Q CA . 15901 1 113 . 1 1 30 30 GLN CB C 13 31.603 . . 1 . . . . 30 Q CB . 15901 1 114 . 1 1 30 30 GLN N N 15 119.107 . . 1 . . . . 30 Q N . 15901 1 115 . 1 1 31 31 PRO CA C 13 62.727 . . 1 . . . . 31 P CA . 15901 1 116 . 1 1 31 31 PRO CB C 13 32.155 . . 1 . . . . 31 P CB . 15901 1 117 . 1 1 32 32 MET H H 1 9.623 . . 1 . . . . 32 M H . 15901 1 118 . 1 1 32 32 MET CA C 13 56.023 . . 1 . . . . 32 M CA . 15901 1 119 . 1 1 32 32 MET CB C 13 37.035 . . 1 . . . . 32 M CB . 15901 1 120 . 1 1 32 32 MET N N 15 126.093 . . 1 . . . . 32 M N . 15901 1 121 . 1 1 33 33 THR H H 1 8.989 . . 1 . . . . 33 T H . 15901 1 122 . 1 1 33 33 THR CA C 13 63.884 . . 1 . . . . 33 T CA . 15901 1 123 . 1 1 33 33 THR CB C 13 68.488 . . 1 . . . . 33 T CB . 15901 1 124 . 1 1 33 33 THR N N 15 124.142 . . 1 . . . . 33 T N . 15901 1 125 . 1 1 34 34 PHE H H 1 9.593 . . 1 . . . . 34 F H . 15901 1 126 . 1 1 34 34 PHE CA C 13 57.314 . . 1 . . . . 34 F CA . 15901 1 127 . 1 1 34 34 PHE CB C 13 42.396 . . 1 . . . . 34 F CB . 15901 1 128 . 1 1 34 34 PHE N N 15 125.544 . . 1 . . . . 34 F N . 15901 1 129 . 1 1 35 35 ARG H H 1 9.537 . . 1 . . . . 35 R H . 15901 1 130 . 1 1 35 35 ARG CA C 13 52.311 . . 1 . . . . 35 R CA . 15901 1 131 . 1 1 35 35 ARG CB C 13 32.822 . . 1 . . . . 35 R CB . 15901 1 132 . 1 1 35 35 ARG N N 15 123.229 . . 1 . . . . 35 R N . 15901 1 133 . 1 1 36 36 LEU H H 1 8.368 . . 1 . . . . 36 L H . 15901 1 134 . 1 1 36 36 LEU CA C 13 55.684 . . 1 . . . . 36 L CA . 15901 1 135 . 1 1 36 36 LEU CB C 13 41.915 . . 1 . . . . 36 L CB . 15901 1 136 . 1 1 36 36 LEU N N 15 123.061 . . 1 . . . . 36 L N . 15901 1 137 . 1 1 37 37 LEU H H 1 7.751 . . 1 . . . . 37 L H . 15901 1 138 . 1 1 37 37 LEU CA C 13 55.753 . . 1 . . . . 37 L CA . 15901 1 139 . 1 1 37 37 LEU CB C 13 44.474 . . 1 . . . . 37 L CB . 15901 1 140 . 1 1 37 37 LEU N N 15 124.713 . . 1 . . . . 37 L N . 15901 1 141 . 1 1 38 38 LEU H H 1 8.489 . . 1 . . . . 38 L H . 15901 1 142 . 1 1 38 38 LEU CA C 13 57.037 . . 1 . . . . 38 L CA . 15901 1 143 . 1 1 38 38 LEU CB C 13 41.087 . . 1 . . . . 38 L CB . 15901 1 144 . 1 1 38 38 LEU N N 15 113.095 . . 1 . . . . 38 L N . 15901 1 145 . 1 1 39 39 VAL H H 1 7.026 . . 1 . . . . 39 V H . 15901 1 146 . 1 1 39 39 VAL CA C 13 58.57 . . 1 . . . . 39 V CA . 15901 1 147 . 1 1 39 39 VAL CB C 13 35.537 . . 1 . . . . 39 V CB . 15901 1 148 . 1 1 39 39 VAL N N 15 108.763 . . 1 . . . . 39 V N . 15901 1 149 . 1 1 40 40 ASP H H 1 8.869 . . 1 . . . . 40 D H . 15901 1 150 . 1 1 40 40 ASP CA C 13 53.064 . . 1 . . . . 40 D CA . 15901 1 151 . 1 1 40 40 ASP CB C 13 42.379 . . 1 . . . . 40 D CB . 15901 1 152 . 1 1 40 40 ASP N N 15 121.996 . . 1 . . . . 40 D N . 15901 1 153 . 1 1 41 41 THR H H 1 7.736 . . 1 . . . . 41 T H . 15901 1 154 . 1 1 41 41 THR CA C 13 58.351 . . 1 . . . . 41 T CA . 15901 1 155 . 1 1 41 41 THR CB C 13 67.799 . . 1 . . . . 41 T CB . 15901 1 156 . 1 1 41 41 THR N N 15 116.052 . . 1 . . . . 41 T N . 15901 1 157 . 1 1 42 42 PRO CA C 13 62.152 . . 1 . . . . 42 P CA . 15901 1 158 . 1 1 42 42 PRO CB C 13 31.815 . . 1 . . . . 42 P CB . 15901 1 159 . 1 1 43 43 GLU H H 1 8.619 . . 1 . . . . 43 E H . 15901 1 160 . 1 1 43 43 GLU CA C 13 55.847 . . 1 . . . . 43 E CA . 15901 1 161 . 1 1 43 43 GLU CB C 13 29.839 . . 1 . . . . 43 E CB . 15901 1 162 . 1 1 43 43 GLU N N 15 121.692 . . 1 . . . . 43 E N . 15901 1 163 . 1 1 44 44 PHE H H 1 8.887 . . 1 . . . . 50 F H . 15901 1 164 . 1 1 44 44 PHE CA C 13 62.767 . . 1 . . . . 50 F CA . 15901 1 165 . 1 1 44 44 PHE CB C 13 39.477 . . 1 . . . . 50 F CB . 15901 1 166 . 1 1 44 44 PHE N N 15 120.124 . . 1 . . . . 50 F N . 15901 1 167 . 1 1 45 45 ASN H H 1 7.857 . . 1 . . . . 51 N H . 15901 1 168 . 1 1 45 45 ASN CA C 13 52.793 . . 1 . . . . 51 N CA . 15901 1 169 . 1 1 45 45 ASN CB C 13 37.474 . . 1 . . . . 51 N CB . 15901 1 170 . 1 1 45 45 ASN N N 15 110.687 . . 1 . . . . 51 N N . 15901 1 171 . 1 1 46 46 GLU H H 1 7.98 . . 1 . . . . 52 E H . 15901 1 172 . 1 1 46 46 GLU CA C 13 54.389 . . 1 . . . . 52 E CA . 15901 1 173 . 1 1 46 46 GLU CB C 13 32.162 . . 1 . . . . 52 E CB . 15901 1 174 . 1 1 46 46 GLU N N 15 120.46 . . 1 . . . . 52 E N . 15901 1 175 . 1 1 47 47 LYS H H 1 8.552 . . 1 . . . . 53 K H . 15901 1 176 . 1 1 47 47 LYS CA C 13 59.093 . . 1 . . . . 53 K CA . 15901 1 177 . 1 1 47 47 LYS CB C 13 31.721 . . 1 . . . . 53 K CB . 15901 1 178 . 1 1 47 47 LYS N N 15 124.818 . . 1 . . . . 53 K N . 15901 1 179 . 1 1 48 48 TYR H H 1 8.658 . . 1 . . . . 54 Y H . 15901 1 180 . 1 1 48 48 TYR CA C 13 62.353 . . 1 . . . . 54 Y CA . 15901 1 181 . 1 1 48 48 TYR CB C 13 35.22 . . 1 . . . . 54 Y CB . 15901 1 182 . 1 1 48 48 TYR N N 15 116.09 . . 1 . . . . 54 Y N . 15901 1 183 . 1 1 49 49 GLY H H 1 8.725 . . 1 . . . . 55 G H . 15901 1 184 . 1 1 49 49 GLY CA C 13 48.929 . . 1 . . . . 55 G CA . 15901 1 185 . 1 1 49 49 GLY N N 15 109.636 . . 1 . . . . 55 G N . 15901 1 186 . 1 1 50 50 PRO CA C 13 65.153 . . 1 . . . . 56 P CA . 15901 1 187 . 1 1 50 50 PRO CB C 13 31.437 . . 1 . . . . 56 P CB . 15901 1 188 . 1 1 51 51 GLU H H 1 9.008 . . 1 . . . . 57 E H . 15901 1 189 . 1 1 51 51 GLU CA C 13 61.576 . . 1 . . . . 57 E CA . 15901 1 190 . 1 1 51 51 GLU CB C 13 28.387 . . 1 . . . . 57 E CB . 15901 1 191 . 1 1 51 51 GLU N N 15 120.649 . . 1 . . . . 57 E N . 15901 1 192 . 1 1 52 52 ALA H H 1 8.991 . . 1 . . . . 58 A H . 15901 1 193 . 1 1 52 52 ALA CA C 13 55.951 . . 1 . . . . 58 A CA . 15901 1 194 . 1 1 52 52 ALA CB C 13 18.251 . . 1 . . . . 58 A CB . 15901 1 195 . 1 1 52 52 ALA N N 15 124.842 . . 1 . . . . 58 A N . 15901 1 196 . 1 1 53 53 SER H H 1 8.209 . . 1 . . . . 59 S H . 15901 1 197 . 1 1 53 53 SER CA C 13 63.021 . . 1 . . . . 59 S CA . 15901 1 198 . 1 1 53 53 SER CB C 13 62.319 . . 1 . . . . 59 S CB . 15901 1 199 . 1 1 53 53 SER N N 15 111.747 . . 1 . . . . 59 S N . 15901 1 200 . 1 1 54 54 ALA H H 1 8.49 . . 1 . . . . 60 A H . 15901 1 201 . 1 1 54 54 ALA CA C 13 54.988 . . 1 . . . . 60 A CA . 15901 1 202 . 1 1 54 54 ALA CB C 13 18.408 . . 1 . . . . 60 A CB . 15901 1 203 . 1 1 54 54 ALA N N 15 122.7 . . 1 . . . . 60 A N . 15901 1 204 . 1 1 55 55 PHE H H 1 8.245 . . 1 . . . . 61 F H . 15901 1 205 . 1 1 55 55 PHE CA C 13 61.743 . . 1 . . . . 61 F CA . 15901 1 206 . 1 1 55 55 PHE CB C 13 39.928 . . 1 . . . . 61 F CB . 15901 1 207 . 1 1 55 55 PHE N N 15 121.613 . . 1 . . . . 61 F N . 15901 1 208 . 1 1 56 56 THR H H 1 8.537 . . 1 . . . . 62 T H . 15901 1 209 . 1 1 56 56 THR CA C 13 67.514 . . 1 . . . . 62 T CA . 15901 1 210 . 1 1 56 56 THR CB C 13 68.356 . . 1 . . . . 62 T CB . 15901 1 211 . 1 1 56 56 THR N N 15 120.317 . . 1 . . . . 62 T N . 15901 1 212 . 1 1 57 57 LYS H H 1 7.876 . . 1 . . . . 63 K H . 15901 1 213 . 1 1 57 57 LYS CA C 13 60.199 . . 1 . . . . 63 K CA . 15901 1 214 . 1 1 57 57 LYS CB C 13 33.249 . . 1 . . . . 63 K CB . 15901 1 215 . 1 1 57 57 LYS N N 15 119.915 . . 1 . . . . 63 K N . 15901 1 216 . 1 1 58 58 LYS H H 1 8.009 . . 1 . . . . 64 K H . 15901 1 217 . 1 1 58 58 LYS CA C 13 59.305 . . 1 . . . . 64 K CA . 15901 1 218 . 1 1 58 58 LYS CB C 13 32.071 . . 1 . . . . 64 K CB . 15901 1 219 . 1 1 58 58 LYS N N 15 117.326 . . 1 . . . . 64 K N . 15901 1 220 . 1 1 59 59 MET H H 1 7.68 . . 1 . . . . 65 M H . 15901 1 221 . 1 1 59 59 MET CA C 13 59.791 . . 1 . . . . 65 M CA . 15901 1 222 . 1 1 59 59 MET CB C 13 32.34 . . 1 . . . . 65 M CB . 15901 1 223 . 1 1 59 59 MET N N 15 116.012 . . 1 . . . . 65 M N . 15901 1 224 . 1 1 60 60 VAL H H 1 8.173 . . 1 . . . . 66 V H . 15901 1 225 . 1 1 60 60 VAL CA C 13 64.304 . . 1 . . . . 66 V CA . 15901 1 226 . 1 1 60 60 VAL CB C 13 31.423 . . 1 . . . . 66 V CB . 15901 1 227 . 1 1 60 60 VAL N N 15 107.639 . . 1 . . . . 66 V N . 15901 1 228 . 1 1 61 61 GLU H H 1 8.737 . . 1 . . . . 67 E H . 15901 1 229 . 1 1 61 61 GLU CA C 13 59.229 . . 1 . . . . 67 E CA . 15901 1 230 . 1 1 61 61 GLU CB C 13 29.094 . . 1 . . . . 67 E CB . 15901 1 231 . 1 1 61 61 GLU N N 15 121.151 . . 1 . . . . 67 E N . 15901 1 232 . 1 1 62 62 ASN H H 1 7.431 . . 1 . . . . 68 N H . 15901 1 233 . 1 1 62 62 ASN CA C 13 53.361 . . 1 . . . . 68 N CA . 15901 1 234 . 1 1 62 62 ASN CB C 13 38.966 . . 1 . . . . 68 N CB . 15901 1 235 . 1 1 62 62 ASN N N 15 113.516 . . 1 . . . . 68 N N . 15901 1 236 . 1 1 63 63 ALA H H 1 6.685 . . 1 . . . . 69 A H . 15901 1 237 . 1 1 63 63 ALA CA C 13 51.391 . . 1 . . . . 69 A CA . 15901 1 238 . 1 1 63 63 ALA CB C 13 19.405 . . 1 . . . . 69 A CB . 15901 1 239 . 1 1 63 63 ALA N N 15 121.128 . . 1 . . . . 69 A N . 15901 1 240 . 1 1 64 64 LYS H H 1 10.131 . . 1 . . . . 70 K H . 15901 1 241 . 1 1 64 64 LYS CA C 13 57.86 . . 1 . . . . 70 K CA . 15901 1 242 . 1 1 64 64 LYS CB C 13 32.219 . . 1 . . . . 70 K CB . 15901 1 243 . 1 1 64 64 LYS N N 15 125.835 . . 1 . . . . 70 K N . 15901 1 244 . 1 1 65 65 LYS H H 1 8.955 . . 1 . . . . 71 K H . 15901 1 245 . 1 1 65 65 LYS CA C 13 55.446 . . 1 . . . . 71 K CA . 15901 1 246 . 1 1 65 65 LYS CB C 13 35.451 . . 1 . . . . 71 K CB . 15901 1 247 . 1 1 65 65 LYS N N 15 121.391 . . 1 . . . . 71 K N . 15901 1 248 . 1 1 66 66 ILE H H 1 9.005 . . 1 . . . . 72 I H . 15901 1 249 . 1 1 66 66 ILE CA C 13 58.556 . . 1 . . . . 72 I CA . 15901 1 250 . 1 1 66 66 ILE CB C 13 38.247 . . 1 . . . . 72 I CB . 15901 1 251 . 1 1 66 66 ILE N N 15 129.009 . . 1 . . . . 72 I N . 15901 1 252 . 1 1 67 67 GLU H H 1 8.779 . . 1 . . . . 73 E H . 15901 1 253 . 1 1 67 67 GLU CA C 13 53.8 . . 1 . . . . 73 E CA . 15901 1 254 . 1 1 67 67 GLU CB C 13 36.325 . . 1 . . . . 73 E CB . 15901 1 255 . 1 1 67 67 GLU N N 15 123.081 . . 1 . . . . 73 E N . 15901 1 256 . 1 1 68 68 VAL H H 1 9.59 . . 1 . . . . 74 V H . 15901 1 257 . 1 1 68 68 VAL CA C 13 59.527 . . 1 . . . . 74 V CA . 15901 1 258 . 1 1 68 68 VAL CB C 13 34.753 . . 1 . . . . 74 V CB . 15901 1 259 . 1 1 68 68 VAL N N 15 117.006 . . 1 . . . . 74 V N . 15901 1 260 . 1 1 69 69 GLU H H 1 8.842 . . 1 . . . . 75 E H . 15901 1 261 . 1 1 69 69 GLU CA C 13 54.484 . . 1 . . . . 75 E CA . 15901 1 262 . 1 1 69 69 GLU CB C 13 35.784 . . 1 . . . . 75 E CB . 15901 1 263 . 1 1 69 69 GLU N N 15 126.257 . . 1 . . . . 75 E N . 15901 1 264 . 1 1 70 70 PHE H H 1 8.954 . . 1 . . . . 76 F H . 15901 1 265 . 1 1 70 70 PHE CA C 13 59.632 . . 1 . . . . 76 F CA . 15901 1 266 . 1 1 70 70 PHE CB C 13 39.966 . . 1 . . . . 76 F CB . 15901 1 267 . 1 1 70 70 PHE N N 15 127.109 . . 1 . . . . 76 F N . 15901 1 268 . 1 1 71 71 ASP H H 1 9.461 . . 1 . . . . 77 D H . 15901 1 269 . 1 1 71 71 ASP CA C 13 51.634 . . 1 . . . . 77 D CA . 15901 1 270 . 1 1 71 71 ASP CB C 13 43.589 . . 1 . . . . 77 D CB . 15901 1 271 . 1 1 71 71 ASP N N 15 123.534 . . 1 . . . . 77 D N . 15901 1 272 . 1 1 72 72 LYS H H 1 10.584 . . 1 . . . . 78 K H . 15901 1 273 . 1 1 72 72 LYS CA C 13 57.293 . . 1 . . . . 78 K CA . 15901 1 274 . 1 1 72 72 LYS CB C 13 33.522 . . 1 . . . . 78 K CB . 15901 1 275 . 1 1 72 72 LYS N N 15 119.066 . . 1 . . . . 78 K N . 15901 1 276 . 1 1 73 73 GLY H H 1 8.216 . . 1 . . . . 79 G H . 15901 1 277 . 1 1 73 73 GLY CA C 13 44.705 . . 1 . . . . 79 G CA . 15901 1 278 . 1 1 73 73 GLY N N 15 112.009 . . 1 . . . . 79 G N . 15901 1 279 . 1 1 74 74 GLN H H 1 8.381 . . 1 . . . . 80 Q H . 15901 1 280 . 1 1 74 74 GLN CA C 13 56.977 . . 1 . . . . 80 Q CA . 15901 1 281 . 1 1 74 74 GLN CB C 13 29.805 . . 1 . . . . 80 Q CB . 15901 1 282 . 1 1 74 74 GLN N N 15 123.414 . . 1 . . . . 80 Q N . 15901 1 283 . 1 1 75 75 ARG H H 1 8.711 . . 1 . . . . 81 R H . 15901 1 284 . 1 1 75 75 ARG CA C 13 58.411 . . 1 . . . . 81 R CA . 15901 1 285 . 1 1 75 75 ARG CB C 13 32.344 . . 1 . . . . 81 R CB . 15901 1 286 . 1 1 75 75 ARG N N 15 123.454 . . 1 . . . . 81 R N . 15901 1 287 . 1 1 76 76 THR H H 1 7.296 . . 1 . . . . 82 T H . 15901 1 288 . 1 1 76 76 THR CA C 13 58.086 . . 1 . . . . 82 T CA . 15901 1 289 . 1 1 76 76 THR CB C 13 72.553 . . 1 . . . . 82 T CB . 15901 1 290 . 1 1 76 76 THR N N 15 106.052 . . 1 . . . . 82 T N . 15901 1 291 . 1 1 77 77 ASP H H 1 8.638 . . 1 . . . . 83 D H . 15901 1 292 . 1 1 77 77 ASP CA C 13 51.957 . . 1 . . . . 83 D CA . 15901 1 293 . 1 1 77 77 ASP CB C 13 41.885 . . 1 . . . . 83 D CB . 15901 1 294 . 1 1 77 77 ASP N N 15 120.889 . . 1 . . . . 83 D N . 15901 1 295 . 1 1 78 78 LYS H H 1 8.279 . . 1 . . . . 84 K H . 15901 1 296 . 1 1 78 78 LYS CA C 13 58.147 . . 1 . . . . 84 K CA . 15901 1 297 . 1 1 78 78 LYS CB C 13 31.602 . . 1 . . . . 84 K CB . 15901 1 298 . 1 1 78 78 LYS N N 15 116.803 . . 1 . . . . 84 K N . 15901 1 299 . 1 1 79 79 TYR H H 1 7.959 . . 1 . . . . 85 Y H . 15901 1 300 . 1 1 79 79 TYR CA C 13 57.028 . . 1 . . . . 85 Y CA . 15901 1 301 . 1 1 79 79 TYR CB C 13 38.112 . . 1 . . . . 85 Y CB . 15901 1 302 . 1 1 79 79 TYR N N 15 119.031 . . 1 . . . . 85 Y N . 15901 1 303 . 1 1 80 80 GLY H H 1 8.132 . . 1 . . . . 86 G H . 15901 1 304 . 1 1 80 80 GLY CA C 13 45.471 . . 1 . . . . 86 G CA . 15901 1 305 . 1 1 80 80 GLY N N 15 108.408 . . 1 . . . . 86 G N . 15901 1 306 . 1 1 81 81 ARG H H 1 8.539 . . 1 . . . . 87 R H . 15901 1 307 . 1 1 81 81 ARG CA C 13 55.797 . . 1 . . . . 87 R CA . 15901 1 308 . 1 1 81 81 ARG CB C 13 29.954 . . 1 . . . . 87 R CB . 15901 1 309 . 1 1 81 81 ARG N N 15 121.439 . . 1 . . . . 87 R N . 15901 1 310 . 1 1 82 82 GLY H H 1 8.709 . . 1 . . . . 88 G H . 15901 1 311 . 1 1 82 82 GLY CA C 13 45.256 . . 1 . . . . 88 G CA . 15901 1 312 . 1 1 82 82 GLY N N 15 108.481 . . 1 . . . . 88 G N . 15901 1 313 . 1 1 83 83 LEU H H 1 8.376 . . 1 . . . . 89 L H . 15901 1 314 . 1 1 83 83 LEU CA C 13 52.8 . . 1 . . . . 89 L CA . 15901 1 315 . 1 1 83 83 LEU CB C 13 42.236 . . 1 . . . . 89 L CB . 15901 1 316 . 1 1 83 83 LEU N N 15 125.826 . . 1 . . . . 89 L N . 15901 1 317 . 1 1 84 84 ALA H H 1 7.506 . . 1 . . . . 90 A H . 15901 1 318 . 1 1 84 84 ALA CA C 13 50.585 . . 1 . . . . 90 A CA . 15901 1 319 . 1 1 84 84 ALA CB C 13 23.9 . . 1 . . . . 90 A CB . 15901 1 320 . 1 1 84 84 ALA N N 15 120.317 . . 1 . . . . 90 A N . 15901 1 321 . 1 1 85 85 TYR H H 1 9.03 . . 1 . . . . 91 Y H . 15901 1 322 . 1 1 85 85 TYR CA C 13 57.203 . . 1 . . . . 91 Y CA . 15901 1 323 . 1 1 85 85 TYR CB C 13 37.733 . . 1 . . . . 91 Y CB . 15901 1 324 . 1 1 85 85 TYR N N 15 122.639 . . 1 . . . . 91 Y N . 15901 1 325 . 1 1 86 86 ILE H H 1 7.952 . . 1 . . . . 92 I H . 15901 1 326 . 1 1 86 86 ILE CA C 13 58.682 . . 1 . . . . 92 I CA . 15901 1 327 . 1 1 86 86 ILE CB C 13 39 . . 1 . . . . 92 I CB . 15901 1 328 . 1 1 86 86 ILE N N 15 122.433 . . 1 . . . . 92 I N . 15901 1 329 . 1 1 87 87 TYR H H 1 9.555 . . 1 . . . . 93 Y H . 15901 1 330 . 1 1 87 87 TYR CA C 13 56.325 . . 1 . . . . 93 Y CA . 15901 1 331 . 1 1 87 87 TYR CB C 13 41.5 . . 1 . . . . 93 Y CB . 15901 1 332 . 1 1 87 87 TYR N N 15 126.293 . . 1 . . . . 93 Y N . 15901 1 333 . 1 1 88 88 ALA H H 1 9.312 . . 1 . . . . 94 A H . 15901 1 334 . 1 1 88 88 ALA CA C 13 49.8 . . 1 . . . . 94 A CA . 15901 1 335 . 1 1 88 88 ALA CB C 13 21.071 . . 1 . . . . 94 A CB . 15901 1 336 . 1 1 88 88 ALA N N 15 125.675 . . 1 . . . . 94 A N . 15901 1 337 . 1 1 89 89 ASP H H 1 9.726 . . 1 . . . . 95 D H . 15901 1 338 . 1 1 89 89 ASP CA C 13 56.44 . . 1 . . . . 95 D CA . 15901 1 339 . 1 1 89 89 ASP CB C 13 39.579 . . 1 . . . . 95 D CB . 15901 1 340 . 1 1 89 89 ASP N N 15 127.563 . . 1 . . . . 95 D N . 15901 1 341 . 1 1 90 90 GLY H H 1 9.346 . . 1 . . . . 96 G H . 15901 1 342 . 1 1 90 90 GLY CA C 13 45.352 . . 1 . . . . 96 G CA . 15901 1 343 . 1 1 90 90 GLY N N 15 103.075 . . 1 . . . . 96 G N . 15901 1 344 . 1 1 91 91 LYS H H 1 7.867 . . 1 . . . . 97 K H . 15901 1 345 . 1 1 91 91 LYS CA C 13 54.328 . . 1 . . . . 97 K CA . 15901 1 346 . 1 1 91 91 LYS CB C 13 33.144 . . 1 . . . . 97 K CB . 15901 1 347 . 1 1 91 91 LYS N N 15 121.422 . . 1 . . . . 97 K N . 15901 1 348 . 1 1 92 92 MET H H 1 9.391 . . 1 . . . . 98 M H . 15901 1 349 . 1 1 92 92 MET CA C 13 56.108 . . 1 . . . . 98 M CA . 15901 1 350 . 1 1 92 92 MET CB C 13 34.376 . . 1 . . . . 98 M CB . 15901 1 351 . 1 1 92 92 MET N N 15 126.826 . . 1 . . . . 98 M N . 15901 1 352 . 1 1 93 93 VAL H H 1 10.114 . . 1 . . . . 99 V H . 15901 1 353 . 1 1 93 93 VAL CA C 13 65.768 . . 1 . . . . 99 V CA . 15901 1 354 . 1 1 93 93 VAL CB C 13 32.546 . . 1 . . . . 99 V CB . 15901 1 355 . 1 1 93 93 VAL N N 15 135.935 . . 1 . . . . 99 V N . 15901 1 356 . 1 1 94 94 ASN H H 1 9.685 . . 1 . . . . 100 N H . 15901 1 357 . 1 1 94 94 ASN CA C 13 56.946 . . 1 . . . . 100 N CA . 15901 1 358 . 1 1 94 94 ASN CB C 13 34.969 . . 1 . . . . 100 N CB . 15901 1 359 . 1 1 94 94 ASN N N 15 108.38 . . 1 . . . . 100 N N . 15901 1 360 . 1 1 95 95 GLU H H 1 6.126 . . 1 . . . . 101 E H . 15901 1 361 . 1 1 95 95 GLU CA C 13 59.054 . . 1 . . . . 101 E CA . 15901 1 362 . 1 1 95 95 GLU CB C 13 31.039 . . 1 . . . . 101 E CB . 15901 1 363 . 1 1 95 95 GLU N N 15 113.144 . . 1 . . . . 101 E N . 15901 1 364 . 1 1 96 96 ALA H H 1 7.864 . . 1 . . . . 102 A H . 15901 1 365 . 1 1 96 96 ALA CA C 13 55.356 . . 1 . . . . 102 A CA . 15901 1 366 . 1 1 96 96 ALA CB C 13 18.291 . . 1 . . . . 102 A CB . 15901 1 367 . 1 1 96 96 ALA N N 15 122.608 . . 1 . . . . 102 A N . 15901 1 368 . 1 1 97 97 LEU H H 1 8.089 . . 1 . . . . 103 L H . 15901 1 369 . 1 1 97 97 LEU CA C 13 57.966 . . 1 . . . . 103 L CA . 15901 1 370 . 1 1 97 97 LEU CB C 13 45.357 . . 1 . . . . 103 L CB . 15901 1 371 . 1 1 97 97 LEU N N 15 116.409 . . 1 . . . . 103 L N . 15901 1 372 . 1 1 98 98 VAL H H 1 6.84 . . 1 . . . . 104 V H . 15901 1 373 . 1 1 98 98 VAL CA C 13 65.199 . . 1 . . . . 104 V CA . 15901 1 374 . 1 1 98 98 VAL CB C 13 31.965 . . 1 . . . . 104 V CB . 15901 1 375 . 1 1 98 98 VAL N N 15 116.414 . . 1 . . . . 104 V N . 15901 1 376 . 1 1 99 99 ARG H H 1 9.104 . . 1 . . . . 105 R H . 15901 1 377 . 1 1 99 99 ARG CA C 13 57.022 . . 1 . . . . 105 R CA . 15901 1 378 . 1 1 99 99 ARG CB C 13 28.799 . . 1 . . . . 105 R CB . 15901 1 379 . 1 1 99 99 ARG N N 15 122.604 . . 1 . . . . 105 R N . 15901 1 380 . 1 1 100 100 GLN H H 1 7.192 . . 1 . . . . 106 Q H . 15901 1 381 . 1 1 100 100 GLN CA C 13 53.826 . . 1 . . . . 106 Q CA . 15901 1 382 . 1 1 100 100 GLN CB C 13 28.468 . . 1 . . . . 106 Q CB . 15901 1 383 . 1 1 100 100 GLN N N 15 112.727 . . 1 . . . . 106 Q N . 15901 1 384 . 1 1 101 101 GLY H H 1 8.09 . . 1 . . . . 107 G H . 15901 1 385 . 1 1 101 101 GLY CA C 13 46.545 . . 1 . . . . 107 G CA . 15901 1 386 . 1 1 101 101 GLY N N 15 107.013 . . 1 . . . . 107 G N . 15901 1 387 . 1 1 102 102 LEU H H 1 7.739 . . 1 . . . . 108 L H . 15901 1 388 . 1 1 102 102 LEU CA C 13 53.209 . . 1 . . . . 108 L CA . 15901 1 389 . 1 1 102 102 LEU CB C 13 43.431 . . 1 . . . . 108 L CB . 15901 1 390 . 1 1 102 102 LEU N N 15 114.958 . . 1 . . . . 108 L N . 15901 1 391 . 1 1 103 103 ALA H H 1 6.944 . . 1 . . . . 109 A H . 15901 1 392 . 1 1 103 103 ALA CA C 13 50.314 . . 1 . . . . 109 A CA . 15901 1 393 . 1 1 103 103 ALA CB C 13 24.885 . . 1 . . . . 109 A CB . 15901 1 394 . 1 1 103 103 ALA N N 15 112.761 . . 1 . . . . 109 A N . 15901 1 395 . 1 1 104 104 LYS H H 1 7.854 . . 1 . . . . 110 K H . 15901 1 396 . 1 1 104 104 LYS CA C 13 54.266 . . 1 . . . . 110 K CA . 15901 1 397 . 1 1 104 104 LYS CB C 13 35.51 . . 1 . . . . 110 K CB . 15901 1 398 . 1 1 104 104 LYS N N 15 118.028 . . 1 . . . . 110 K N . 15901 1 399 . 1 1 105 105 VAL H H 1 8.921 . . 1 . . . . 111 V H . 15901 1 400 . 1 1 105 105 VAL CA C 13 63.138 . . 1 . . . . 111 V CA . 15901 1 401 . 1 1 105 105 VAL CB C 13 31.422 . . 1 . . . . 111 V CB . 15901 1 402 . 1 1 105 105 VAL N N 15 122.387 . . 1 . . . . 111 V N . 15901 1 403 . 1 1 106 106 ALA H H 1 7.814 . . 1 . . . . 112 A H . 15901 1 404 . 1 1 106 106 ALA CA C 13 51.263 . . 1 . . . . 112 A CA . 15901 1 405 . 1 1 106 106 ALA CB C 13 21.729 . . 1 . . . . 112 A CB . 15901 1 406 . 1 1 106 106 ALA N N 15 132.037 . . 1 . . . . 112 A N . 15901 1 407 . 1 1 107 107 TYR H H 1 8.529 . . 1 . . . . 113 Y H . 15901 1 408 . 1 1 107 107 TYR CA C 13 56.633 . . 1 . . . . 113 Y CA . 15901 1 409 . 1 1 107 107 TYR CB C 13 37.562 . . 1 . . . . 113 Y CB . 15901 1 410 . 1 1 107 107 TYR N N 15 122.317 . . 1 . . . . 113 Y N . 15901 1 411 . 1 1 108 108 VAL H H 1 7.829 . . 1 . . . . 114 V H . 15901 1 412 . 1 1 108 108 VAL CA C 13 62.833 . . 1 . . . . 114 V CA . 15901 1 413 . 1 1 108 108 VAL CB C 13 33.65 . . 1 . . . . 114 V CB . 15901 1 414 . 1 1 108 108 VAL N N 15 124.127 . . 1 . . . . 114 V N . 15901 1 415 . 1 1 109 109 TYR H H 1 8.382 . . 1 . . . . 115 Y H . 15901 1 416 . 1 1 109 109 TYR CA C 13 57.15 . . 1 . . . . 115 Y CA . 15901 1 417 . 1 1 109 109 TYR CB C 13 39.395 . . 1 . . . . 115 Y CB . 15901 1 418 . 1 1 109 109 TYR N N 15 123.189 . . 1 . . . . 115 Y N . 15901 1 419 . 1 1 110 110 LYS H H 1 8.613 . . 1 . . . . 116 K H . 15901 1 420 . 1 1 110 110 LYS CA C 13 57.847 . . 1 . . . . 116 K CA . 15901 1 421 . 1 1 110 110 LYS CB C 13 32.085 . . 1 . . . . 116 K CB . 15901 1 422 . 1 1 110 110 LYS N N 15 124.341 . . 1 . . . . 116 K N . 15901 1 423 . 1 1 111 111 GLY H H 1 8.639 . . 1 . . . . 117 G H . 15901 1 424 . 1 1 111 111 GLY CA C 13 45.419 . . 1 . . . . 117 G CA . 15901 1 425 . 1 1 111 111 GLY N N 15 110.823 . . 1 . . . . 117 G N . 15901 1 426 . 1 1 112 112 ASN H H 1 7.986 . . 1 . . . . 118 N H . 15901 1 427 . 1 1 112 112 ASN CA C 13 51.29 . . 1 . . . . 118 N CA . 15901 1 428 . 1 1 112 112 ASN CB C 13 38.241 . . 1 . . . . 118 N CB . 15901 1 429 . 1 1 112 112 ASN N N 15 120.99 . . 1 . . . . 118 N N . 15901 1 430 . 1 1 113 113 ASN H H 1 7.74 . . 1 . . . . 119 N H . 15901 1 431 . 1 1 113 113 ASN CA C 13 51.9 . . 1 . . . . 119 N CA . 15901 1 432 . 1 1 113 113 ASN CB C 13 39.244 . . 1 . . . . 119 N CB . 15901 1 433 . 1 1 113 113 ASN N N 15 116.365 . . 1 . . . . 119 N N . 15901 1 434 . 1 1 114 114 THR H H 1 10.445 . . 1 . . . . 120 T H . 15901 1 435 . 1 1 114 114 THR CA C 13 68.977 . . 1 . . . . 120 T CA . 15901 1 436 . 1 1 114 114 THR CB C 13 66.624 . . 1 . . . . 120 T CB . 15901 1 437 . 1 1 114 114 THR N N 15 123.509 . . 1 . . . . 120 T N . 15901 1 438 . 1 1 115 115 HIS H H 1 7.004 . . 1 . . . . 121 H H . 15901 1 439 . 1 1 115 115 HIS CA C 13 52.72 . . 1 . . . . 121 H CA . 15901 1 440 . 1 1 115 115 HIS CB C 13 28.028 . . 1 . . . . 121 H CB . 15901 1 441 . 1 1 115 115 HIS N N 15 111.231 . . 1 . . . . 121 H N . 15901 1 442 . 1 1 116 116 GLU H H 1 7.502 . . 1 . . . . 122 E H . 15901 1 443 . 1 1 116 116 GLU CA C 13 61.402 . . 1 . . . . 122 E CA . 15901 1 444 . 1 1 116 116 GLU CB C 13 29.888 . . 1 . . . . 122 E CB . 15901 1 445 . 1 1 116 116 GLU N N 15 120.368 . . 1 . . . . 122 E N . 15901 1 446 . 1 1 117 117 GLN H H 1 8.932 . . 1 . . . . 123 Q H . 15901 1 447 . 1 1 117 117 GLN CA C 13 59.702 . . 1 . . . . 123 Q CA . 15901 1 448 . 1 1 117 117 GLN CB C 13 27.442 . . 1 . . . . 123 Q CB . 15901 1 449 . 1 1 117 117 GLN N N 15 118.181 . . 1 . . . . 123 Q N . 15901 1 450 . 1 1 118 118 LEU H H 1 7.895 . . 1 . . . . 124 L H . 15901 1 451 . 1 1 118 118 LEU CA C 13 58.222 . . 1 . . . . 124 L CA . 15901 1 452 . 1 1 118 118 LEU CB C 13 42.38 . . 1 . . . . 124 L CB . 15901 1 453 . 1 1 118 118 LEU N N 15 121.547 . . 1 . . . . 124 L N . 15901 1 454 . 1 1 119 119 LEU H H 1 7.767 . . 1 . . . . 125 L H . 15901 1 455 . 1 1 119 119 LEU CA C 13 58.367 . . 1 . . . . 125 L CA . 15901 1 456 . 1 1 119 119 LEU CB C 13 41.044 . . 1 . . . . 125 L CB . 15901 1 457 . 1 1 119 119 LEU N N 15 120.358 . . 1 . . . . 125 L N . 15901 1 458 . 1 1 120 120 ARG H H 1 8.954 . . 1 . . . . 126 R H . 15901 1 459 . 1 1 120 120 ARG CA C 13 60.089 . . 1 . . . . 126 R CA . 15901 1 460 . 1 1 120 120 ARG CB C 13 29.102 . . 1 . . . . 126 R CB . 15901 1 461 . 1 1 120 120 ARG N N 15 119.963 . . 1 . . . . 126 R N . 15901 1 462 . 1 1 121 121 LYS H H 1 8.206 . . 1 . . . . 127 K H . 15901 1 463 . 1 1 121 121 LYS CA C 13 59.708 . . 1 . . . . 127 K CA . 15901 1 464 . 1 1 121 121 LYS CB C 13 32.112 . . 1 . . . . 127 K CB . 15901 1 465 . 1 1 121 121 LYS N N 15 122.197 . . 1 . . . . 127 K N . 15901 1 466 . 1 1 122 122 ALA H H 1 7.405 . . 1 . . . . 128 A H . 15901 1 467 . 1 1 122 122 ALA CA C 13 55.071 . . 1 . . . . 128 A CA . 15901 1 468 . 1 1 122 122 ALA CB C 13 17.827 . . 1 . . . . 128 A CB . 15901 1 469 . 1 1 122 122 ALA N N 15 122.913 . . 1 . . . . 128 A N . 15901 1 470 . 1 1 123 123 GLU H H 1 8.355 . . 1 . . . . 129 E H . 15901 1 471 . 1 1 123 123 GLU CA C 13 59.112 . . 1 . . . . 129 E CA . 15901 1 472 . 1 1 123 123 GLU CB C 13 30.983 . . 1 . . . . 129 E CB . 15901 1 473 . 1 1 123 123 GLU N N 15 120.946 . . 1 . . . . 129 E N . 15901 1 474 . 1 1 124 124 ALA H H 1 8.017 . . 1 . . . . 130 A H . 15901 1 475 . 1 1 124 124 ALA CA C 13 54.884 . . 1 . . . . 130 A CA . 15901 1 476 . 1 1 124 124 ALA CB C 13 17.763 . . 1 . . . . 130 A CB . 15901 1 477 . 1 1 124 124 ALA N N 15 119.733 . . 1 . . . . 130 A N . 15901 1 478 . 1 1 125 125 GLN H H 1 7.534 . . 1 . . . . 131 Q H . 15901 1 479 . 1 1 125 125 GLN CA C 13 58.688 . . 1 . . . . 131 Q CA . 15901 1 480 . 1 1 125 125 GLN CB C 13 28.179 . . 1 . . . . 131 Q CB . 15901 1 481 . 1 1 125 125 GLN N N 15 118.466 . . 1 . . . . 131 Q N . 15901 1 482 . 1 1 126 126 ALA H H 1 7.996 . . 1 . . . . 132 A H . 15901 1 483 . 1 1 126 126 ALA CA C 13 55.759 . . 1 . . . . 132 A CA . 15901 1 484 . 1 1 126 126 ALA CB C 13 18.674 . . 1 . . . . 132 A CB . 15901 1 485 . 1 1 126 126 ALA N N 15 123.161 . . 1 . . . . 132 A N . 15901 1 486 . 1 1 127 127 LYS H H 1 8.228 . . 1 . . . . 133 K H . 15901 1 487 . 1 1 127 127 LYS CA C 13 59.596 . . 1 . . . . 133 K CA . 15901 1 488 . 1 1 127 127 LYS CB C 13 32.511 . . 1 . . . . 133 K CB . 15901 1 489 . 1 1 127 127 LYS N N 15 117.249 . . 1 . . . . 133 K N . 15901 1 490 . 1 1 128 128 LYS H H 1 7.79 . . 1 . . . . 134 K H . 15901 1 491 . 1 1 128 128 LYS CA C 13 59.32 . . 1 . . . . 134 K CA . 15901 1 492 . 1 1 128 128 LYS CB C 13 32.282 . . 1 . . . . 134 K CB . 15901 1 493 . 1 1 128 128 LYS N N 15 122.406 . . 1 . . . . 134 K N . 15901 1 494 . 1 1 129 129 GLU H H 1 7.621 . . 1 . . . . 135 E H . 15901 1 495 . 1 1 129 129 GLU CA C 13 56.451 . . 1 . . . . 135 E CA . 15901 1 496 . 1 1 129 129 GLU CB C 13 29.904 . . 1 . . . . 135 E CB . 15901 1 497 . 1 1 129 129 GLU N N 15 116.201 . . 1 . . . . 135 E N . 15901 1 498 . 1 1 130 130 LYS H H 1 7.845 . . 1 . . . . 136 K H . 15901 1 499 . 1 1 130 130 LYS CA C 13 56.775 . . 1 . . . . 136 K CA . 15901 1 500 . 1 1 130 130 LYS CB C 13 29.299 . . 1 . . . . 136 K CB . 15901 1 501 . 1 1 130 130 LYS N N 15 116.977 . . 1 . . . . 136 K N . 15901 1 502 . 1 1 131 131 LEU H H 1 7.648 . . 1 . . . . 137 L H . 15901 1 503 . 1 1 131 131 LEU CA C 13 54.991 . . 1 . . . . 137 L CA . 15901 1 504 . 1 1 131 131 LEU CB C 13 44.178 . . 1 . . . . 137 L CB . 15901 1 505 . 1 1 131 131 LEU N N 15 117.224 . . 1 . . . . 137 L N . 15901 1 506 . 1 1 132 132 ASN H H 1 9.09 . . 1 . . . . 138 N H . 15901 1 507 . 1 1 132 132 ASN CA C 13 56.252 . . 1 . . . . 138 N CA . 15901 1 508 . 1 1 132 132 ASN CB C 13 38.637 . . 1 . . . . 138 N CB . 15901 1 509 . 1 1 132 132 ASN N N 15 119.021 . . 1 . . . . 138 N N . 15901 1 510 . 1 1 133 133 ILE H H 1 8.356 . . 1 . . . . 139 I H . 15901 1 511 . 1 1 133 133 ILE CA C 13 65.647 . . 1 . . . . 139 I CA . 15901 1 512 . 1 1 133 133 ILE CB C 13 37.428 . . 1 . . . . 139 I CB . 15901 1 513 . 1 1 133 133 ILE N N 15 124.645 . . 1 . . . . 139 I N . 15901 1 514 . 1 1 134 134 TRP H H 1 7.785 . . 1 . . . . 140 W H . 15901 1 515 . 1 1 134 134 TRP HE1 H 1 11.534 . . . . . . . 140 W HE1 . 15901 1 516 . 1 1 134 134 TRP CA C 13 55.046 . . 1 . . . . 140 W CA . 15901 1 517 . 1 1 134 134 TRP CB C 13 29.962 . . 1 . . . . 140 W CB . 15901 1 518 . 1 1 134 134 TRP N N 15 119.57 . . 1 . . . . 140 W N . 15901 1 519 . 1 1 134 134 TRP NE1 N 15 130.866 . . . . . . . 140 W NE1 . 15901 1 520 . 1 1 135 135 SER H H 1 8.149 . . 1 . . . . 141 S H . 15901 1 521 . 1 1 135 135 SER CA C 13 59.774 . . 1 . . . . 141 S CA . 15901 1 522 . 1 1 135 135 SER CB C 13 64.484 . . 1 . . . . 141 S CB . 15901 1 523 . 1 1 135 135 SER N N 15 116.232 . . 1 . . . . 141 S N . 15901 1 524 . 1 1 136 136 GLU H H 1 7.868 . . 1 . . . . 142 E H . 15901 1 525 . 1 1 136 136 GLU CA C 13 56.016 . . 1 . . . . 142 E CA . 15901 1 526 . 1 1 136 136 GLU CB C 13 29.886 . . 1 . . . . 142 E CB . 15901 1 527 . 1 1 136 136 GLU N N 15 121.131 . . 1 . . . . 142 E N . 15901 1 528 . 1 1 137 137 ASP H H 1 8.411 . . 1 . . . . 143 D H . 15901 1 529 . 1 1 137 137 ASP CA C 13 54.462 . . 1 . . . . 143 D CA . 15901 1 530 . 1 1 137 137 ASP CB C 13 40.567 . . 1 . . . . 143 D CB . 15901 1 531 . 1 1 137 137 ASP N N 15 121.095 . . 1 . . . . 143 D N . 15901 1 532 . 1 1 138 138 ASN H H 1 8.437 . . 1 . . . . 144 N H . 15901 1 533 . 1 1 138 138 ASN CA C 13 53.256 . . 1 . . . . 144 N CA . 15901 1 534 . 1 1 138 138 ASN CB C 13 39.044 . . 1 . . . . 144 N CB . 15901 1 535 . 1 1 138 138 ASN N N 15 119.424 . . 1 . . . . 144 N N . 15901 1 536 . 1 1 139 139 ALA H H 1 8.259 . . 1 . . . . 145 A H . 15901 1 537 . 1 1 139 139 ALA CA C 13 53.209 . . 1 . . . . 145 A CA . 15901 1 538 . 1 1 139 139 ALA CB C 13 19.248 . . 1 . . . . 145 A CB . 15901 1 539 . 1 1 139 139 ALA N N 15 123.924 . . 1 . . . . 145 A N . 15901 1 540 . 1 1 140 140 ASP H H 1 8.355 . . 1 . . . . 146 D H . 15901 1 541 . 1 1 140 140 ASP CA C 13 54.098 . . 1 . . . . 146 D CA . 15901 1 542 . 1 1 140 140 ASP CB C 13 40.575 . . 1 . . . . 146 D CB . 15901 1 543 . 1 1 140 140 ASP N N 15 118.603 . . 1 . . . . 146 D N . 15901 1 544 . 1 1 141 141 SER H H 1 8.225 . . 1 . . . . 147 S H . 15901 1 545 . 1 1 141 141 SER CA C 13 58.859 . . 1 . . . . 147 S CA . 15901 1 546 . 1 1 141 141 SER CB C 13 63.939 . . 1 . . . . 147 S CB . 15901 1 547 . 1 1 141 141 SER N N 15 116.152 . . 1 . . . . 147 S N . 15901 1 548 . 1 1 142 142 GLY H H 1 8.476 . . 1 . . . . 148 G H . 15901 1 549 . 1 1 142 142 GLY CA C 13 45.552 . . 1 . . . . 148 G CA . 15901 1 550 . 1 1 142 142 GLY N N 15 111.17 . . 1 . . . . 148 G N . 15901 1 551 . 1 1 143 143 GLN H H 1 7.876 . . 1 . . . . 149 Q H . 15901 1 552 . 1 1 143 143 GLN CA C 13 57.151 . . 1 . . . . 149 Q CA . 15901 1 553 . 1 1 143 143 GLN CB C 13 30.326 . . 1 . . . . 149 Q CB . 15901 1 554 . 1 1 143 143 GLN N N 15 124.375 . . 1 . . . . 149 Q N . 15901 1 stop_ save_