################################### # 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_Ca4CaM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Ca4CaM _Assigned_chem_shift_list.Entry_ID 15852 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 15852 1 2 '3D HNCO' . . . 15852 1 3 '3D HNCA' . . . 15852 1 4 '3D CBCA(CO)NH' . . . 15852 1 7 '3D HNCACB' . . . 15852 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 $TOPSPIN . . 15852 1 2 $CARA . . 15852 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 H H 1 8.891 0.01 . 1 . . . . 1 A HN . 15852 1 2 . 1 1 1 1 ALA C C 13 177.027 0.2 . 1 . . . . 1 A C . 15852 1 3 . 1 1 1 1 ALA CA C 13 52.621 0.2 . 1 . . . . 1 A CA . 15852 1 4 . 1 1 1 1 ALA CB C 13 17.854 0.2 . 1 . . . . 1 A CB . 15852 1 5 . 1 1 1 1 ALA N N 15 124.240 0.2 . 1 . . . . 1 A N . 15852 1 6 . 1 1 2 2 ASP H H 1 8.024 0.01 . 1 . . . . 2 D HN . 15852 1 7 . 1 1 2 2 ASP C C 13 175.427 0.2 . 1 . . . . 2 D C . 15852 1 8 . 1 1 2 2 ASP CA C 13 54.127 0.2 . 1 . . . . 2 D CA . 15852 1 9 . 1 1 2 2 ASP CB C 13 39.841 0.2 . 1 . . . . 2 D CB . 15852 1 10 . 1 1 2 2 ASP N N 15 116.838 0.2 . 1 . . . . 2 D N . 15852 1 11 . 1 1 3 3 GLN H H 1 7.903 0.01 . 1 . . . . 3 Q HN . 15852 1 12 . 1 1 3 3 GLN C C 13 175.027 0.2 . 1 . . . . 3 Q C . 15852 1 13 . 1 1 3 3 GLN CA C 13 54.584 0.2 . 1 . . . . 3 Q CA . 15852 1 14 . 1 1 3 3 GLN CB C 13 28.569 0.2 . 1 . . . . 3 Q CB . 15852 1 15 . 1 1 3 3 GLN N N 15 117.852 0.2 . 1 . . . . 3 Q N . 15852 1 16 . 1 1 4 4 LEU H H 1 7.778 0.01 . 1 . . . . 4 L HN . 15852 1 17 . 1 1 4 4 LEU C C 13 176.727 0.2 . 1 . . . . 4 L C . 15852 1 18 . 1 1 4 4 LEU CA C 13 53.378 0.2 . 1 . . . . 4 L CA . 15852 1 19 . 1 1 4 4 LEU CB C 13 42.681 0.2 . 1 . . . . 4 L CB . 15852 1 20 . 1 1 4 4 LEU N N 15 121.696 0.2 . 1 . . . . 4 L N . 15852 1 21 . 1 1 5 5 THR H H 1 8.671 0.01 . 1 . . . . 5 T HN . 15852 1 22 . 1 1 5 5 THR C C 13 174.327 0.2 . 1 . . . . 5 T C . 15852 1 23 . 1 1 5 5 THR CA C 13 59.569 0.2 . 1 . . . . 5 T CA . 15852 1 24 . 1 1 5 5 THR CB C 13 70.237 0.2 . 1 . . . . 5 T CB . 15852 1 25 . 1 1 5 5 THR N N 15 112.801 0.2 . 1 . . . . 5 T N . 15852 1 26 . 1 1 6 6 GLU H H 1 8.742 0.01 . 1 . . . . 6 E HN . 15852 1 27 . 1 1 6 6 GLU C C 13 178.727 0.2 . 1 . . . . 6 E C . 15852 1 28 . 1 1 6 6 GLU CA C 13 59.156 0.2 . 1 . . . . 6 E CA . 15852 1 29 . 1 1 6 6 GLU CB C 13 28.219 0.2 . 1 . . . . 6 E CB . 15852 1 30 . 1 1 6 6 GLU N N 15 120.562 0.2 . 1 . . . . 6 E N . 15852 1 31 . 1 1 7 7 GLU H H 1 8.604 0.01 . 1 . . . . 7 E HN . 15852 1 32 . 1 1 7 7 GLU C C 13 178.427 0.2 . 1 . . . . 7 E C . 15852 1 33 . 1 1 7 7 GLU CA C 13 59.156 0.2 . 1 . . . . 7 E CA . 15852 1 34 . 1 1 7 7 GLU CB C 13 28.091 0.2 . 1 . . . . 7 E CB . 15852 1 35 . 1 1 7 7 GLU N N 15 119.507 0.2 . 1 . . . . 7 E N . 15852 1 36 . 1 1 8 8 GLN H H 1 7.650 0.01 . 1 . . . . 8 Q HN . 15852 1 37 . 1 1 8 8 GLN C C 13 177.327 0.2 . 1 . . . . 8 Q C . 15852 1 38 . 1 1 8 8 GLN CA C 13 57.735 0.2 . 1 . . . . 8 Q CA . 15852 1 39 . 1 1 8 8 GLN CB C 13 28.133 0.2 . 1 . . . . 8 Q CB . 15852 1 40 . 1 1 8 8 GLN N N 15 120.254 0.2 . 1 . . . . 8 Q N . 15852 1 41 . 1 1 9 9 ILE H H 1 8.291 0.01 . 1 . . . . 9 I HN . 15852 1 42 . 1 1 9 9 ILE C C 13 176.927 0.2 . 1 . . . . 9 I C . 15852 1 43 . 1 1 9 9 ILE CA C 13 65.500 0.2 . 1 . . . . 9 I CA . 15852 1 44 . 1 1 9 9 ILE CB C 13 36.849 0.2 . 1 . . . . 9 I CB . 15852 1 45 . 1 1 9 9 ILE N N 15 118.913 0.2 . 1 . . . . 9 I N . 15852 1 46 . 1 1 10 10 ALA H H 1 7.966 0.01 . 1 . . . . 10 A HN . 15852 1 47 . 1 1 10 10 ALA C C 13 180.227 0.2 . 1 . . . . 10 A C . 15852 1 48 . 1 1 10 10 ALA CA C 13 54.604 0.2 . 1 . . . . 10 A CA . 15852 1 49 . 1 1 10 10 ALA CB C 13 16.841 0.2 . 1 . . . . 10 A CB . 15852 1 50 . 1 1 10 10 ALA N N 15 120.995 0.2 . 1 . . . . 10 A N . 15852 1 51 . 1 1 11 11 GLU H H 1 7.668 0.01 . 1 . . . . 11 E HN . 15852 1 52 . 1 1 11 11 GLU C C 13 179.127 0.2 . 1 . . . . 11 E C . 15852 1 53 . 1 1 11 11 GLU CA C 13 58.637 0.2 . 1 . . . . 11 E CA . 15852 1 54 . 1 1 11 11 GLU CB C 13 28.399 0.2 . 1 . . . . 11 E CB . 15852 1 55 . 1 1 11 11 GLU N N 15 119.633 0.2 . 1 . . . . 11 E N . 15852 1 56 . 1 1 12 12 PHE H H 1 8.502 0.01 . 1 . . . . 12 F HN . 15852 1 57 . 1 1 12 12 PHE C C 13 178.127 0.2 . 1 . . . . 12 F C . 15852 1 58 . 1 1 12 12 PHE CA C 13 57.763 0.2 . 1 . . . . 12 F CA . 15852 1 59 . 1 1 12 12 PHE CB C 13 36.323 0.2 . 1 . . . . 12 F CB . 15852 1 60 . 1 1 12 12 PHE N N 15 119.166 0.2 . 1 . . . . 12 F N . 15852 1 61 . 1 1 13 13 LYS H H 1 9.233 0.01 . 1 . . . . 13 K HN . 15852 1 62 . 1 1 13 13 LYS C C 13 178.327 0.2 . 1 . . . . 13 K C . 15852 1 63 . 1 1 13 13 LYS CA C 13 59.341 0.2 . 1 . . . . 13 K CA . 15852 1 64 . 1 1 13 13 LYS CB C 13 31.040 0.2 . 1 . . . . 13 K CB . 15852 1 65 . 1 1 13 13 LYS N N 15 123.020 0.2 . 1 . . . . 13 K N . 15852 1 66 . 1 1 14 14 GLU H H 1 7.793 0.01 . 1 . . . . 14 E HN . 15852 1 67 . 1 1 14 14 GLU C C 13 178.927 0.2 . 1 . . . . 14 E C . 15852 1 68 . 1 1 14 14 GLU CA C 13 58.849 0.2 . 1 . . . . 14 E CA . 15852 1 69 . 1 1 14 14 GLU CB C 13 28.308 0.2 . 1 . . . . 14 E CB . 15852 1 70 . 1 1 14 14 GLU N N 15 120.474 0.2 . 1 . . . . 14 E N . 15852 1 71 . 1 1 15 15 ALA H H 1 7.997 0.01 . 1 . . . . 15 A HN . 15852 1 72 . 1 1 15 15 ALA C C 13 177.327 0.2 . 1 . . . . 15 A C . 15852 1 73 . 1 1 15 15 ALA CA C 13 54.424 0.2 . 1 . . . . 15 A CA . 15852 1 74 . 1 1 15 15 ALA CB C 13 17.117 0.2 . 1 . . . . 15 A CB . 15852 1 75 . 1 1 15 15 ALA N N 15 122.017 0.2 . 1 . . . . 15 A N . 15852 1 76 . 1 1 16 16 PHE H H 1 8.765 0.01 . 1 . . . . 16 F HN . 15852 1 77 . 1 1 16 16 PHE C C 13 176.627 0.2 . 1 . . . . 16 F C . 15852 1 78 . 1 1 16 16 PHE CA C 13 61.489 0.2 . 1 . . . . 16 F CA . 15852 1 79 . 1 1 16 16 PHE CB C 13 38.685 0.2 . 1 . . . . 16 F CB . 15852 1 80 . 1 1 16 16 PHE N N 15 119.132 0.2 . 1 . . . . 16 F N . 15852 1 81 . 1 1 17 17 SER H H 1 8.075 0.01 . 1 . . . . 17 S HN . 15852 1 82 . 1 1 17 17 SER C C 13 173.927 0.2 . 1 . . . . 17 S C . 15852 1 83 . 1 1 17 17 SER CA C 13 60.699 0.2 . 1 . . . . 17 S CA . 15852 1 84 . 1 1 17 17 SER CB C 13 62.353 0.2 . 1 . . . . 17 S CB . 15852 1 85 . 1 1 17 17 SER N N 15 112.561 0.2 . 1 . . . . 17 S N . 15852 1 86 . 1 1 18 18 LEU H H 1 7.323 0.01 . 1 . . . . 18 L HN . 15852 1 87 . 1 1 18 18 LEU C C 13 176.927 0.2 . 1 . . . . 18 L C . 15852 1 88 . 1 1 18 18 LEU CA C 13 56.462 0.2 . 1 . . . . 18 L CA . 15852 1 89 . 1 1 18 18 LEU CB C 13 40.171 0.2 . 1 . . . . 18 L CB . 15852 1 90 . 1 1 18 18 LEU N N 15 121.075 0.2 . 1 . . . . 18 L N . 15852 1 91 . 1 1 19 19 PHE H H 1 7.002 0.01 . 1 . . . . 19 F HN . 15852 1 92 . 1 1 19 19 PHE CA C 13 59.270 0.2 . 1 . . . . 19 F CA . 15852 1 93 . 1 1 19 19 PHE CB C 13 40.480 0.2 . 1 . . . . 19 F CB . 15852 1 94 . 1 1 19 19 PHE N N 15 113.026 0.2 . 1 . . . . 19 F N . 15852 1 95 . 1 1 20 20 ASP H H 1 7.992 0.01 . 1 . . . . 20 D HN . 15852 1 96 . 1 1 20 20 ASP C C 13 176.727 0.2 . 1 . . . . 20 D C . 15852 1 97 . 1 1 20 20 ASP CA C 13 51.758 0.2 . 1 . . . . 20 D CA . 15852 1 98 . 1 1 20 20 ASP CB C 13 37.911 0.2 . 1 . . . . 20 D CB . 15852 1 99 . 1 1 20 20 ASP N N 15 117.269 0.2 . 1 . . . . 20 D N . 15852 1 100 . 1 1 21 21 LYS H H 1 7.872 0.01 . 1 . . . . 21 K HN . 15852 1 101 . 1 1 21 21 LYS C C 13 177.527 0.2 . 1 . . . . 21 K C . 15852 1 102 . 1 1 21 21 LYS CA C 13 57.835 0.2 . 1 . . . . 21 K CA . 15852 1 103 . 1 1 21 21 LYS CB C 13 31.700 0.2 . 1 . . . . 21 K CB . 15852 1 104 . 1 1 21 21 LYS N N 15 124.741 0.2 . 1 . . . . 21 K N . 15852 1 105 . 1 1 22 22 ASP H H 1 7.875 0.01 . 1 . . . . 22 D HN . 15852 1 106 . 1 1 22 22 ASP C C 13 176.827 0.2 . 1 . . . . 22 D C . 15852 1 107 . 1 1 22 22 ASP CA C 13 51.897 0.2 . 1 . . . . 22 D CA . 15852 1 108 . 1 1 22 22 ASP CB C 13 38.512 0.2 . 1 . . . . 22 D CB . 15852 1 109 . 1 1 22 22 ASP N N 15 113.683 0.2 . 1 . . . . 22 D N . 15852 1 110 . 1 1 23 23 GLY H H 1 7.636 0.01 . 1 . . . . 23 G HN . 15852 1 111 . 1 1 23 23 GLY C C 13 174.427 0.2 . 1 . . . . 23 G C . 15852 1 112 . 1 1 23 23 GLY CA C 13 46.295 0.2 . 1 . . . . 23 G CA . 15852 1 113 . 1 1 23 23 GLY N N 15 109.115 0.2 . 1 . . . . 23 G N . 15852 1 114 . 1 1 24 24 ASP H H 1 8.317 0.01 . 1 . . . . 24 D HN . 15852 1 115 . 1 1 24 24 ASP C C 13 176.627 0.2 . 1 . . . . 24 D C . 15852 1 116 . 1 1 24 24 ASP CA C 13 52.867 0.2 . 1 . . . . 24 D CA . 15852 1 117 . 1 1 24 24 ASP CB C 13 39.394 0.2 . 1 . . . . 24 D CB . 15852 1 118 . 1 1 24 24 ASP N N 15 120.452 0.2 . 1 . . . . 24 D N . 15852 1 119 . 1 1 25 25 GLY H H 1 10.521 0.01 . 1 . . . . 25 G HN . 15852 1 120 . 1 1 25 25 GLY C C 13 173.127 0.2 . 1 . . . . 25 G C . 15852 1 121 . 1 1 25 25 GLY CA C 13 44.525 0.2 . 1 . . . . 25 G CA . 15852 1 122 . 1 1 25 25 GLY N N 15 113.042 0.2 . 1 . . . . 25 G N . 15852 1 123 . 1 1 26 26 THR H H 1 8.054 0.01 . 1 . . . . 26 T HN . 15852 1 124 . 1 1 26 26 THR C C 13 172.427 0.2 . 1 . . . . 26 T C . 15852 1 125 . 1 1 26 26 THR CA C 13 58.557 0.2 . 1 . . . . 26 T CA . 15852 1 126 . 1 1 26 26 THR CB C 13 71.968 0.2 . 1 . . . . 26 T CB . 15852 1 127 . 1 1 26 26 THR N N 15 111.235 0.2 . 1 . . . . 26 T N . 15852 1 128 . 1 1 27 27 ILE H H 1 9.831 0.01 . 1 . . . . 27 I HN . 15852 1 129 . 1 1 27 27 ILE C C 13 175.427 0.2 . 1 . . . . 27 I C . 15852 1 130 . 1 1 27 27 ILE CA C 13 59.822 0.2 . 1 . . . . 27 I CA . 15852 1 131 . 1 1 27 27 ILE CB C 13 38.904 0.2 . 1 . . . . 27 I CB . 15852 1 132 . 1 1 27 27 ILE N N 15 126.564 0.2 . 1 . . . . 27 I N . 15852 1 133 . 1 1 28 28 THR H H 1 8.356 0.01 . 1 . . . . 28 T HN . 15852 1 134 . 1 1 28 28 THR C C 13 176.027 0.2 . 1 . . . . 28 T C . 15852 1 135 . 1 1 28 28 THR CA C 13 58.699 0.2 . 1 . . . . 28 T CA . 15852 1 136 . 1 1 28 28 THR CB C 13 71.562 0.2 . 1 . . . . 28 T CB . 15852 1 137 . 1 1 28 28 THR N N 15 116.404 0.2 . 1 . . . . 28 T N . 15852 1 138 . 1 1 29 29 THR H H 1 9.173 0.01 . 1 . . . . 29 T HN . 15852 1 139 . 1 1 29 29 THR C C 13 176.727 0.2 . 1 . . . . 29 T C . 15852 1 140 . 1 1 29 29 THR CA C 13 65.676 0.2 . 1 . . . . 29 T CA . 15852 1 141 . 1 1 29 29 THR CB C 13 67.101 0.2 . 1 . . . . 29 T CB . 15852 1 142 . 1 1 29 29 THR N N 15 112.601 0.2 . 1 . . . . 29 T N . 15852 1 143 . 1 1 30 30 LYS H H 1 7.584 0.01 . 1 . . . . 30 K HN . 15852 1 144 . 1 1 30 30 LYS C C 13 179.127 0.2 . 1 . . . . 30 K C . 15852 1 145 . 1 1 30 30 LYS CA C 13 58.369 0.2 . 1 . . . . 30 K CA . 15852 1 146 . 1 1 30 30 LYS CB C 13 31.588 0.2 . 1 . . . . 30 K CB . 15852 1 147 . 1 1 30 30 LYS N N 15 121.073 0.2 . 1 . . . . 30 K N . 15852 1 148 . 1 1 31 31 GLU H H 1 7.621 0.01 . 1 . . . . 31 E HN . 15852 1 149 . 1 1 31 31 GLU C C 13 178.627 0.2 . 1 . . . . 31 E C . 15852 1 150 . 1 1 31 31 GLU CA C 13 58.791 0.2 . 1 . . . . 31 E CA . 15852 1 151 . 1 1 31 31 GLU CB C 13 28.713 0.2 . 1 . . . . 31 E CB . 15852 1 152 . 1 1 31 31 GLU N N 15 122.237 0.2 . 1 . . . . 31 E N . 15852 1 153 . 1 1 32 32 LEU H H 1 8.608 0.01 . 1 . . . . 32 L HN . 15852 1 154 . 1 1 32 32 LEU C C 13 178.227 0.2 . 1 . . . . 32 L C . 15852 1 155 . 1 1 32 32 LEU CA C 13 57.595 0.2 . 1 . . . . 32 L CA . 15852 1 156 . 1 1 32 32 LEU CB C 13 42.190 0.2 . 1 . . . . 32 L CB . 15852 1 157 . 1 1 32 32 LEU N N 15 120.194 0.2 . 1 . . . . 32 L N . 15852 1 158 . 1 1 33 33 GLY H H 1 8.546 0.01 . 1 . . . . 33 G HN . 15852 1 159 . 1 1 33 33 GLY C C 13 174.227 0.2 . 1 . . . . 33 G C . 15852 1 160 . 1 1 33 33 GLY CA C 13 47.393 0.2 . 1 . . . . 33 G CA . 15852 1 161 . 1 1 33 33 GLY N N 15 104.407 0.2 . 1 . . . . 33 G N . 15852 1 162 . 1 1 34 34 THR H H 1 8.007 0.01 . 1 . . . . 34 T HN . 15852 1 163 . 1 1 34 34 THR C C 13 176.427 0.2 . 1 . . . . 34 T C . 15852 1 164 . 1 1 34 34 THR CA C 13 66.415 0.2 . 1 . . . . 34 T CA . 15852 1 165 . 1 1 34 34 THR CB C 13 68.039 0.2 . 1 . . . . 34 T CB . 15852 1 166 . 1 1 34 34 THR N N 15 117.523 0.2 . 1 . . . . 34 T N . 15852 1 167 . 1 1 35 35 VAL H H 1 7.433 0.01 . 1 . . . . 35 V HN . 15852 1 168 . 1 1 35 35 VAL C C 13 178.027 0.2 . 1 . . . . 35 V C . 15852 1 169 . 1 1 35 35 VAL CA C 13 65.680 0.2 . 1 . . . . 35 V CA . 15852 1 170 . 1 1 35 35 VAL CB C 13 30.583 0.2 . 1 . . . . 35 V CB . 15852 1 171 . 1 1 35 35 VAL N N 15 121.336 0.2 . 1 . . . . 35 V N . 15852 1 172 . 1 1 36 36 MET H H 1 8.343 0.01 . 1 . . . . 36 M HN . 15852 1 173 . 1 1 36 36 MET C C 13 178.327 0.2 . 1 . . . . 36 M C . 15852 1 174 . 1 1 36 36 MET CA C 13 58.870 0.2 . 1 . . . . 36 M CA . 15852 1 175 . 1 1 36 36 MET CB C 13 30.785 0.2 . 1 . . . . 36 M CB . 15852 1 176 . 1 1 36 36 MET N N 15 117.936 0.2 . 1 . . . . 36 M N . 15852 1 177 . 1 1 37 37 ARG H H 1 8.518 0.01 . 1 . . . . 37 R HN . 15852 1 178 . 1 1 37 37 ARG C C 13 180.427 0.2 . 1 . . . . 37 R C . 15852 1 179 . 1 1 37 37 ARG CA C 13 58.083 0.2 . 1 . . . . 37 R CA . 15852 1 180 . 1 1 37 37 ARG CB C 13 29.234 0.2 . 1 . . . . 37 R CB . 15852 1 181 . 1 1 37 37 ARG N N 15 117.811 0.2 . 1 . . . . 37 R N . 15852 1 182 . 1 1 38 38 SER H H 1 7.840 0.01 . 1 . . . . 38 S HN . 15852 1 183 . 1 1 38 38 SER C C 13 173.727 0.2 . 1 . . . . 38 S C . 15852 1 184 . 1 1 38 38 SER CA C 13 60.849 0.2 . 1 . . . . 38 S CA . 15852 1 185 . 1 1 38 38 SER CB C 13 62.021 0.2 . 1 . . . . 38 S CB . 15852 1 186 . 1 1 38 38 SER N N 15 118.522 0.2 . 1 . . . . 38 S N . 15852 1 187 . 1 1 39 39 LEU H H 1 7.292 0.01 . 1 . . . . 39 L HN . 15852 1 188 . 1 1 39 39 LEU C C 13 175.927 0.2 . 1 . . . . 39 L C . 15852 1 189 . 1 1 39 39 LEU CA C 13 53.041 0.2 . 1 . . . . 39 L CA . 15852 1 190 . 1 1 39 39 LEU CB C 13 40.196 0.2 . 1 . . . . 39 L CB . 15852 1 191 . 1 1 39 39 LEU N N 15 119.833 0.2 . 1 . . . . 39 L N . 15852 1 192 . 1 1 40 40 GLY H H 1 7.638 0.01 . 1 . . . . 40 G HN . 15852 1 193 . 1 1 40 40 GLY C C 13 173.627 0.2 . 1 . . . . 40 G C . 15852 1 194 . 1 1 40 40 GLY CA C 13 44.903 0.2 . 1 . . . . 40 G CA . 15852 1 195 . 1 1 40 40 GLY N N 15 105.424 0.2 . 1 . . . . 40 G N . 15852 1 196 . 1 1 41 41 GLN H H 1 7.825 0.01 . 1 . . . . 41 Q HN . 15852 1 197 . 1 1 41 41 GLN C C 13 173.427 0.2 . 1 . . . . 41 Q C . 15852 1 198 . 1 1 41 41 GLN CA C 13 53.454 0.2 . 1 . . . . 41 Q CA . 15852 1 199 . 1 1 41 41 GLN CB C 13 29.453 0.2 . 1 . . . . 41 Q CB . 15852 1 200 . 1 1 41 41 GLN N N 15 118.169 0.2 . 1 . . . . 41 Q N . 15852 1 201 . 1 1 42 42 ASN H H 1 8.708 0.01 . 1 . . . . 42 N HN . 15852 1 202 . 1 1 42 42 ASN CA C 13 50.529 0.2 . 1 . . . . 42 N CA . 15852 1 203 . 1 1 42 42 ASN CB C 13 38.363 0.2 . 1 . . . . 42 N CB . 15852 1 204 . 1 1 42 42 ASN N N 15 116.192 0.2 . 1 . . . . 42 N N . 15852 1 205 . 1 1 43 43 PRO C C 13 177.015 0.2 . 1 . . . . 43 P C . 15852 1 206 . 1 1 44 44 THR H H 1 8.781 0.01 . 1 . . . . 44 T HN . 15852 1 207 . 1 1 44 44 THR C C 13 174.627 0.2 . 1 . . . . 44 T C . 15852 1 208 . 1 1 44 44 THR CA C 13 59.569 0.2 . 1 . . . . 44 T CA . 15852 1 209 . 1 1 44 44 THR CB C 13 70.247 0.2 . 1 . . . . 44 T CB . 15852 1 210 . 1 1 44 44 THR N N 15 113.362 0.2 . 1 . . . . 44 T N . 15852 1 211 . 1 1 45 45 GLU H H 1 8.969 0.01 . 1 . . . . 45 E HN . 15852 1 212 . 1 1 45 45 GLU C C 13 178.227 0.2 . 1 . . . . 45 E C . 15852 1 213 . 1 1 45 45 GLU CA C 13 59.089 0.2 . 1 . . . . 45 E CA . 15852 1 214 . 1 1 45 45 GLU CB C 13 27.960 0.2 . 1 . . . . 45 E CB . 15852 1 215 . 1 1 45 45 GLU N N 15 120.454 0.2 . 1 . . . . 45 E N . 15852 1 216 . 1 1 46 46 ALA H H 1 8.217 0.01 . 1 . . . . 46 A HN . 15852 1 217 . 1 1 46 46 ALA C C 13 179.427 0.2 . 1 . . . . 46 A C . 15852 1 218 . 1 1 46 46 ALA CA C 13 54.098 0.2 . 1 . . . . 46 A CA . 15852 1 219 . 1 1 46 46 ALA CB C 13 17.117 0.2 . 1 . . . . 46 A CB . 15852 1 220 . 1 1 46 46 ALA N N 15 120.735 0.2 . 1 . . . . 46 A N . 15852 1 221 . 1 1 47 47 GLU H H 1 7.652 0.01 . 1 . . . . 47 E HN . 15852 1 222 . 1 1 47 47 GLU CA C 13 58.220 0.2 . 1 . . . . 47 E CA . 15852 1 223 . 1 1 47 47 GLU CB C 13 28.729 0.2 . 1 . . . . 47 E CB . 15852 1 224 . 1 1 47 47 GLU N N 15 118.571 0.2 . 1 . . . . 47 E N . 15852 1 225 . 1 1 49 49 GLN H H 1 8.122 0.01 . 1 . . . . 49 Q HN . 15852 1 226 . 1 1 49 49 GLN C C 13 177.727 0.2 . 1 . . . . 49 Q C . 15852 1 227 . 1 1 49 49 GLN CA C 13 57.763 0.2 . 1 . . . . 49 Q CA . 15852 1 228 . 1 1 49 49 GLN CB C 13 27.153 0.2 . 1 . . . . 49 Q CB . 15852 1 229 . 1 1 49 49 GLN N N 15 118.210 0.2 . 1 . . . . 49 Q N . 15852 1 230 . 1 1 50 50 ASP H H 1 8.064 0.01 . 1 . . . . 50 D HN . 15852 1 231 . 1 1 50 50 ASP C C 13 177.927 0.2 . 1 . . . . 50 D C . 15852 1 232 . 1 1 50 50 ASP CA C 13 56.813 0.2 . 1 . . . . 50 D CA . 15852 1 233 . 1 1 50 50 ASP CB C 13 39.384 0.2 . 1 . . . . 50 D CB . 15852 1 234 . 1 1 50 50 ASP N N 15 119.941 0.2 . 1 . . . . 50 D N . 15852 1 235 . 1 1 51 51 MET H H 1 7.786 0.01 . 1 . . . . 51 M HN . 15852 1 236 . 1 1 51 51 MET C C 13 176.227 0.2 . 1 . . . . 51 M C . 15852 1 237 . 1 1 51 51 MET CA C 13 58.470 0.2 . 1 . . . . 51 M CA . 15852 1 238 . 1 1 51 51 MET CB C 13 32.305 0.2 . 1 . . . . 51 M CB . 15852 1 239 . 1 1 51 51 MET N N 15 119.331 0.2 . 1 . . . . 51 M N . 15852 1 240 . 1 1 52 52 ILE H H 1 7.544 0.01 . 1 . . . . 52 I HN . 15852 1 241 . 1 1 52 52 ILE C C 13 177.127 0.2 . 1 . . . . 52 I C . 15852 1 242 . 1 1 52 52 ILE CA C 13 63.996 0.2 . 1 . . . . 52 I CA . 15852 1 243 . 1 1 52 52 ILE CB C 13 36.215 0.2 . 1 . . . . 52 I CB . 15852 1 244 . 1 1 52 52 ILE N N 15 117.492 0.2 . 1 . . . . 52 I N . 15852 1 245 . 1 1 53 53 ASN H H 1 8.546 0.01 . 1 . . . . 53 N HN . 15852 1 246 . 1 1 53 53 ASN C C 13 176.427 0.2 . 1 . . . . 53 N C . 15852 1 247 . 1 1 53 53 ASN CA C 13 55.050 0.2 . 1 . . . . 53 N CA . 15852 1 248 . 1 1 53 53 ASN CB C 13 37.348 0.2 . 1 . . . . 53 N CB . 15852 1 249 . 1 1 53 53 ASN N N 15 117.770 0.2 . 1 . . . . 53 N N . 15852 1 250 . 1 1 54 54 GLU H H 1 7.448 0.01 . 1 . . . . 54 E HN . 15852 1 251 . 1 1 54 54 GLU C C 13 176.627 0.2 . 1 . . . . 54 E C . 15852 1 252 . 1 1 54 54 GLU CA C 13 57.984 0.2 . 1 . . . . 54 E CA . 15852 1 253 . 1 1 54 54 GLU CB C 13 29.351 0.2 . 1 . . . . 54 E CB . 15852 1 254 . 1 1 54 54 GLU N N 15 116.307 0.2 . 1 . . . . 54 E N . 15852 1 255 . 1 1 55 55 VAL H H 1 7.118 0.01 . 1 . . . . 55 V HN . 15852 1 256 . 1 1 55 55 VAL C C 13 174.927 0.2 . 1 . . . . 55 V C . 15852 1 257 . 1 1 55 55 VAL CA C 13 60.110 0.2 . 1 . . . . 55 V CA . 15852 1 258 . 1 1 55 55 VAL CB C 13 31.900 0.2 . 1 . . . . 55 V CB . 15852 1 259 . 1 1 55 55 VAL N N 15 109.685 0.2 . 1 . . . . 55 V N . 15852 1 260 . 1 1 56 56 ASP H H 1 7.699 0.01 . 1 . . . . 56 D HN . 15852 1 261 . 1 1 56 56 ASP C C 13 175.027 0.2 . 1 . . . . 56 D C . 15852 1 262 . 1 1 56 56 ASP CA C 13 53.305 0.2 . 1 . . . . 56 D CA . 15852 1 263 . 1 1 56 56 ASP CB C 13 39.513 0.2 . 1 . . . . 56 D CB . 15852 1 264 . 1 1 56 56 ASP N N 15 121.135 0.2 . 1 . . . . 56 D N . 15852 1 265 . 1 1 57 57 ALA H H 1 8.499 0.01 . 1 . . . . 57 A HN . 15852 1 266 . 1 1 57 57 ALA C C 13 178.027 0.2 . 1 . . . . 57 A C . 15852 1 267 . 1 1 57 57 ALA CA C 13 53.145 0.2 . 1 . . . . 57 A CA . 15852 1 268 . 1 1 57 57 ALA CB C 13 18.757 0.2 . 1 . . . . 57 A CB . 15852 1 269 . 1 1 57 57 ALA N N 15 132.053 0.2 . 1 . . . . 57 A N . 15852 1 270 . 1 1 58 58 ASP H H 1 8.266 0.01 . 1 . . . . 58 D HN . 15852 1 271 . 1 1 58 58 ASP C C 13 177.127 0.2 . 1 . . . . 58 D C . 15852 1 272 . 1 1 58 58 ASP CA C 13 52.010 0.2 . 1 . . . . 58 D CA . 15852 1 273 . 1 1 58 58 ASP CB C 13 38.912 0.2 . 1 . . . . 58 D CB . 15852 1 274 . 1 1 58 58 ASP N N 15 114.369 0.2 . 1 . . . . 58 D N . 15852 1 275 . 1 1 59 59 GLY H H 1 7.542 0.01 . 1 . . . . 59 G HN . 15852 1 276 . 1 1 59 59 GLY C C 13 174.227 0.2 . 1 . . . . 59 G C . 15852 1 277 . 1 1 59 59 GLY CA C 13 46.379 0.2 . 1 . . . . 59 G CA . 15852 1 278 . 1 1 59 59 GLY N N 15 109.155 0.2 . 1 . . . . 59 G N . 15852 1 279 . 1 1 60 60 ASP H H 1 8.277 0.01 . 1 . . . . 60 D HN . 15852 1 280 . 1 1 60 60 ASP C C 13 176.627 0.2 . 1 . . . . 60 D C . 15852 1 281 . 1 1 60 60 ASP CA C 13 53.069 0.2 . 1 . . . . 60 D CA . 15852 1 282 . 1 1 60 60 ASP CB C 13 39.733 0.2 . 1 . . . . 60 D CB . 15852 1 283 . 1 1 60 60 ASP N N 15 120.771 0.2 . 1 . . . . 60 D N . 15852 1 284 . 1 1 61 61 GLY H H 1 10.332 0.01 . 1 . . . . 61 G HN . 15852 1 285 . 1 1 61 61 GLY C C 13 172.627 0.2 . 1 . . . . 61 G C . 15852 1 286 . 1 1 61 61 GLY CA C 13 44.754 0.2 . 1 . . . . 61 G CA . 15852 1 287 . 1 1 61 61 GLY N N 15 112.846 0.2 . 1 . . . . 61 G N . 15852 1 288 . 1 1 62 62 THR H H 1 8.185 0.01 . 1 . . . . 62 T HN . 15852 1 289 . 1 1 62 62 THR C C 13 172.727 0.2 . 1 . . . . 62 T C . 15852 1 290 . 1 1 62 62 THR CA C 13 59.172 0.2 . 1 . . . . 62 T CA . 15852 1 291 . 1 1 62 62 THR CB C 13 71.365 0.2 . 1 . . . . 62 T CB . 15852 1 292 . 1 1 62 62 THR N N 15 111.279 0.2 . 1 . . . . 62 T N . 15852 1 293 . 1 1 63 63 ILE H H 1 8.797 0.01 . 1 . . . . 63 I HN . 15852 1 294 . 1 1 63 63 ILE C C 13 174.927 0.2 . 1 . . . . 63 I C . 15852 1 295 . 1 1 63 63 ILE CA C 13 59.130 0.2 . 1 . . . . 63 I CA . 15852 1 296 . 1 1 63 63 ILE CB C 13 39.508 0.2 . 1 . . . . 63 I CB . 15852 1 297 . 1 1 63 63 ILE N N 15 122.297 0.2 . 1 . . . . 63 I N . 15852 1 298 . 1 1 64 64 ASP H H 1 8.865 0.01 . 1 . . . . 64 D HN . 15852 1 299 . 1 1 64 64 ASP C C 13 175.527 0.2 . 1 . . . . 64 D C . 15852 1 300 . 1 1 64 64 ASP CA C 13 51.195 0.2 . 1 . . . . 64 D CA . 15852 1 301 . 1 1 64 64 ASP CB C 13 40.309 0.2 . 1 . . . . 64 D CB . 15852 1 302 . 1 1 64 64 ASP N N 15 128.962 0.2 . 1 . . . . 64 D N . 15852 1 303 . 1 1 65 65 PHE H H 1 8.797 0.01 . 1 . . . . 65 F HN . 15852 1 304 . 1 1 65 65 PHE CA C 13 62.664 0.2 . 1 . . . . 65 F CA . 15852 1 305 . 1 1 65 65 PHE N N 15 117.790 0.2 . 1 . . . . 65 F N . 15852 1 306 . 1 1 66 66 PRO C C 13 179.460 0.2 . 1 . . . . 66 P C . 15852 1 307 . 1 1 67 67 GLU H H 1 8.269 0.01 . 1 . . . . 67 E HN . 15852 1 308 . 1 1 67 67 GLU C C 13 178.327 0.2 . 1 . . . . 67 E C . 15852 1 309 . 1 1 67 67 GLU CA C 13 58.175 0.2 . 1 . . . . 67 E CA . 15852 1 310 . 1 1 67 67 GLU CB C 13 28.394 0.2 . 1 . . . . 67 E CB . 15852 1 311 . 1 1 67 67 GLU N N 15 118.351 0.2 . 1 . . . . 67 E N . 15852 1 312 . 1 1 68 68 PHE H H 1 8.985 0.01 . 1 . . . . 68 F HN . 15852 1 313 . 1 1 68 68 PHE C C 13 176.327 0.2 . 1 . . . . 68 F C . 15852 1 314 . 1 1 68 68 PHE CA C 13 60.754 0.2 . 1 . . . . 68 F CA . 15852 1 315 . 1 1 68 68 PHE CB C 13 39.321 0.2 . 1 . . . . 68 F CB . 15852 1 316 . 1 1 68 68 PHE N N 15 123.720 0.2 . 1 . . . . 68 F N . 15852 1 317 . 1 1 69 69 LEU H H 1 8.654 0.01 . 1 . . . . 69 L HN . 15852 1 318 . 1 1 69 69 LEU C C 13 178.227 0.2 . 1 . . . . 69 L C . 15852 1 319 . 1 1 69 69 LEU CA C 13 57.114 0.2 . 1 . . . . 69 L CA . 15852 1 320 . 1 1 69 69 LEU CB C 13 40.314 0.2 . 1 . . . . 69 L CB . 15852 1 321 . 1 1 69 69 LEU N N 15 119.271 0.2 . 1 . . . . 69 L N . 15852 1 322 . 1 1 70 70 THR H H 1 7.621 0.01 . 1 . . . . 70 T HN . 15852 1 323 . 1 1 70 70 THR C C 13 175.327 0.2 . 1 . . . . 70 T C . 15852 1 324 . 1 1 70 70 THR CA C 13 66.038 0.2 . 1 . . . . 70 T CA . 15852 1 325 . 1 1 70 70 THR CB C 13 67.714 0.2 . 1 . . . . 70 T CB . 15852 1 326 . 1 1 70 70 THR N N 15 115.766 0.2 . 1 . . . . 70 T N . 15852 1 327 . 1 1 71 71 MET H H 1 7.605 0.01 . 1 . . . . 71 M HN . 15852 1 328 . 1 1 71 71 MET C C 13 176.927 0.2 . 1 . . . . 71 M C . 15852 1 329 . 1 1 71 71 MET CA C 13 57.853 0.2 . 1 . . . . 71 M CA . 15852 1 330 . 1 1 71 71 MET CB C 13 31.367 0.2 . 1 . . . . 71 M CB . 15852 1 331 . 1 1 71 71 MET N N 15 121.364 0.2 . 1 . . . . 71 M N . 15852 1 332 . 1 1 72 72 MET H H 1 8.232 0.01 . 1 . . . . 72 M HN . 15852 1 333 . 1 1 72 72 MET C C 13 178.127 0.2 . 1 . . . . 72 M C . 15852 1 334 . 1 1 72 72 MET CA C 13 55.618 0.2 . 1 . . . . 72 M CA . 15852 1 335 . 1 1 72 72 MET CB C 13 30.867 0.2 . 1 . . . . 72 M CB . 15852 1 336 . 1 1 72 72 MET N N 15 117.128 0.2 . 1 . . . . 72 M N . 15852 1 337 . 1 1 73 73 ALA H H 1 8.170 0.01 . 1 . . . . 73 A HN . 15852 1 338 . 1 1 73 73 ALA C C 13 178.927 0.2 . 1 . . . . 73 A C . 15852 1 339 . 1 1 73 73 ALA CA C 13 53.933 0.2 . 1 . . . . 73 A CA . 15852 1 340 . 1 1 73 73 ALA CB C 13 17.053 0.2 . 1 . . . . 73 A CB . 15852 1 341 . 1 1 73 73 ALA N N 15 121.275 0.2 . 1 . . . . 73 A N . 15852 1 342 . 1 1 74 74 ARG H H 1 7.419 0.01 . 1 . . . . 74 R HN . 15852 1 343 . 1 1 74 74 ARG C C 13 177.527 0.2 . 1 . . . . 74 R C . 15852 1 344 . 1 1 74 74 ARG CA C 13 57.733 0.2 . 1 . . . . 74 R CA . 15852 1 345 . 1 1 74 74 ARG CB C 13 29.606 0.2 . 1 . . . . 74 R CB . 15852 1 346 . 1 1 74 74 ARG N N 15 115.593 0.2 . 1 . . . . 74 R N . 15852 1 347 . 1 1 75 75 LYS H H 1 7.703 0.01 . 1 . . . . 75 K HN . 15852 1 348 . 1 1 75 75 LYS C C 13 177.927 0.2 . 1 . . . . 75 K C . 15852 1 349 . 1 1 75 75 LYS CA C 13 55.111 0.2 . 1 . . . . 75 K CA . 15852 1 350 . 1 1 75 75 LYS CB C 13 31.805 0.2 . 1 . . . . 75 K CB . 15852 1 351 . 1 1 75 75 LYS N N 15 116.198 0.2 . 1 . . . . 75 K N . 15852 1 352 . 1 1 76 76 MET H H 1 7.558 0.01 . 1 . . . . 76 M HN . 15852 1 353 . 1 1 76 76 MET C C 13 175.327 0.2 . 1 . . . . 76 M C . 15852 1 354 . 1 1 76 76 MET CA C 13 55.766 0.2 . 1 . . . . 76 M CA . 15852 1 355 . 1 1 76 76 MET CB C 13 31.519 0.2 . 1 . . . . 76 M CB . 15852 1 356 . 1 1 76 76 MET N N 15 117.629 0.2 . 1 . . . . 76 M N . 15852 1 357 . 1 1 77 77 LYS H H 1 7.584 0.01 . 1 . . . . 77 K HN . 15852 1 358 . 1 1 77 77 LYS CA C 13 55.916 0.2 . 1 . . . . 77 K CA . 15852 1 359 . 1 1 77 77 LYS CB C 13 32.740 0.2 . 1 . . . . 77 K CB . 15852 1 360 . 1 1 77 77 LYS N N 15 120.158 0.2 . 1 . . . . 77 K N . 15852 1 361 . 1 1 79 79 THR H H 1 7.762 0.01 . 1 . . . . 79 T HN . 15852 1 362 . 1 1 79 79 THR C C 13 172.827 0.2 . 1 . . . . 79 T C . 15852 1 363 . 1 1 79 79 THR CA C 13 60.924 0.2 . 1 . . . . 79 T CA . 15852 1 364 . 1 1 79 79 THR CB C 13 69.483 0.2 . 1 . . . . 79 T CB . 15852 1 365 . 1 1 79 79 THR N N 15 113.623 0.2 . 1 . . . . 79 T N . 15852 1 366 . 1 1 80 80 ASP H H 1 8.436 0.01 . 1 . . . . 80 D HN . 15852 1 367 . 1 1 80 80 ASP C C 13 175.327 0.2 . 1 . . . . 80 D C . 15852 1 368 . 1 1 80 80 ASP CA C 13 52.926 0.2 . 1 . . . . 80 D CA . 15852 1 369 . 1 1 80 80 ASP CB C 13 41.032 0.2 . 1 . . . . 80 D CB . 15852 1 370 . 1 1 80 80 ASP N N 15 123.780 0.2 . 1 . . . . 80 D N . 15852 1 371 . 1 1 81 81 SER H H 1 8.766 0.01 . 1 . . . . 81 S HN . 15852 1 372 . 1 1 81 81 SER C C 13 174.727 0.2 . 1 . . . . 81 S C . 15852 1 373 . 1 1 81 81 SER CA C 13 58.642 0.2 . 1 . . . . 81 S CA . 15852 1 374 . 1 1 81 81 SER CB C 13 63.388 0.2 . 1 . . . . 81 S CB . 15852 1 375 . 1 1 81 81 SER N N 15 119.364 0.2 . 1 . . . . 81 S N . 15852 1 376 . 1 1 82 82 GLU H H 1 8.546 0.01 . 1 . . . . 82 E HN . 15852 1 377 . 1 1 82 82 GLU C C 13 177.927 0.2 . 1 . . . . 82 E C . 15852 1 378 . 1 1 82 82 GLU CA C 13 58.944 0.2 . 1 . . . . 82 E CA . 15852 1 379 . 1 1 82 82 GLU CB C 13 28.421 0.2 . 1 . . . . 82 E CB . 15852 1 380 . 1 1 82 82 GLU N N 15 122.157 0.2 . 1 . . . . 82 E N . 15852 1 381 . 1 1 83 83 GLU H H 1 8.185 0.01 . 1 . . . . 83 E HN . 15852 1 382 . 1 1 83 83 GLU C C 13 178.027 0.2 . 1 . . . . 83 E C . 15852 1 383 . 1 1 83 83 GLU CA C 13 58.519 0.2 . 1 . . . . 83 E CA . 15852 1 384 . 1 1 83 83 GLU CB C 13 28.367 0.2 . 1 . . . . 83 E CB . 15852 1 385 . 1 1 83 83 GLU N N 15 119.232 0.2 . 1 . . . . 83 E N . 15852 1 386 . 1 1 84 84 GLU H H 1 7.891 0.01 . 1 . . . . 84 E HN . 15852 1 387 . 1 1 84 84 GLU C C 13 179.327 0.2 . 1 . . . . 84 E C . 15852 1 388 . 1 1 84 84 GLU CA C 13 58.734 0.2 . 1 . . . . 84 E CA . 15852 1 389 . 1 1 84 84 GLU CB C 13 28.520 0.2 . 1 . . . . 84 E CB . 15852 1 390 . 1 1 84 84 GLU N N 15 118.462 0.2 . 1 . . . . 84 E N . 15852 1 391 . 1 1 85 85 ILE H H 1 8.091 0.01 . 1 . . . . 85 I HN . 15852 1 392 . 1 1 85 85 ILE C C 13 177.127 0.2 . 1 . . . . 85 I C . 15852 1 393 . 1 1 85 85 ILE CA C 13 64.797 0.2 . 1 . . . . 85 I CA . 15852 1 394 . 1 1 85 85 ILE CB C 13 36.341 0.2 . 1 . . . . 85 I CB . 15852 1 395 . 1 1 85 85 ILE N N 15 121.736 0.2 . 1 . . . . 85 I N . 15852 1 396 . 1 1 86 86 ARG H H 1 8.232 0.01 . 1 . . . . 86 R HN . 15852 1 397 . 1 1 86 86 ARG C C 13 177.527 0.2 . 1 . . . . 86 R C . 15852 1 398 . 1 1 86 86 ARG CA C 13 59.492 0.2 . 1 . . . . 86 R CA . 15852 1 399 . 1 1 86 86 ARG CB C 13 29.034 0.2 . 1 . . . . 86 R CB . 15852 1 400 . 1 1 86 86 ARG N N 15 121.784 0.2 . 1 . . . . 86 R N . 15852 1 401 . 1 1 87 87 GLU H H 1 8.267 0.01 . 1 . . . . 87 E HN . 15852 1 402 . 1 1 87 87 GLU C C 13 178.727 0.2 . 1 . . . . 87 E C . 15852 1 403 . 1 1 87 87 GLU CA C 13 58.013 0.2 . 1 . . . . 87 E CA . 15852 1 404 . 1 1 87 87 GLU CB C 13 28.288 0.2 . 1 . . . . 87 E CB . 15852 1 405 . 1 1 87 87 GLU N N 15 117.943 0.2 . 1 . . . . 87 E N . 15852 1 406 . 1 1 88 88 ALA H H 1 8.138 0.01 . 1 . . . . 88 A HN . 15852 1 407 . 1 1 88 88 ALA C C 13 178.627 0.2 . 1 . . . . 88 A C . 15852 1 408 . 1 1 88 88 ALA CA C 13 54.568 0.2 . 1 . . . . 88 A CA . 15852 1 409 . 1 1 88 88 ALA CB C 13 17.643 0.2 . 1 . . . . 88 A CB . 15852 1 410 . 1 1 88 88 ALA N N 15 122.297 0.2 . 1 . . . . 88 A N . 15852 1 411 . 1 1 89 89 PHE H H 1 8.560 0.01 . 1 . . . . 89 F HN . 15852 1 412 . 1 1 89 89 PHE C C 13 176.127 0.2 . 1 . . . . 89 F C . 15852 1 413 . 1 1 89 89 PHE CA C 13 61.705 0.2 . 1 . . . . 89 F CA . 15852 1 414 . 1 1 89 89 PHE CB C 13 37.910 0.2 . 1 . . . . 89 F CB . 15852 1 415 . 1 1 89 89 PHE N N 15 119.065 0.2 . 1 . . . . 89 F N . 15852 1 416 . 1 1 90 90 ARG H H 1 7.590 0.01 . 1 . . . . 90 R HN . 15852 1 417 . 1 1 90 90 ARG C C 13 176.827 0.2 . 1 . . . . 90 R C . 15852 1 418 . 1 1 90 90 ARG CA C 13 58.054 0.2 . 1 . . . . 90 R CA . 15852 1 419 . 1 1 90 90 ARG CB C 13 29.432 0.2 . 1 . . . . 90 R CB . 15852 1 420 . 1 1 90 90 ARG N N 15 115.321 0.2 . 1 . . . . 90 R N . 15852 1 421 . 1 1 91 91 VAL H H 1 7.292 0.01 . 1 . . . . 91 V HN . 15852 1 422 . 1 1 91 91 VAL C C 13 175.927 0.2 . 1 . . . . 91 V C . 15852 1 423 . 1 1 91 91 VAL CA C 13 64.871 0.2 . 1 . . . . 91 V CA . 15852 1 424 . 1 1 91 91 VAL CB C 13 30.322 0.2 . 1 . . . . 91 V CB . 15852 1 425 . 1 1 91 91 VAL N N 15 117.850 0.2 . 1 . . . . 91 V N . 15852 1 426 . 1 1 92 92 PHE H H 1 6.975 0.01 . 1 . . . . 92 F HN . 15852 1 427 . 1 1 92 92 PHE C C 13 175.927 0.2 . 1 . . . . 92 F C . 15852 1 428 . 1 1 92 92 PHE CA C 13 59.842 0.2 . 1 . . . . 92 F CA . 15852 1 429 . 1 1 92 92 PHE CB C 13 40.466 0.2 . 1 . . . . 92 F CB . 15852 1 430 . 1 1 92 92 PHE N N 15 113.572 0.2 . 1 . . . . 92 F N . 15852 1 431 . 1 1 93 93 ASP H H 1 7.856 0.01 . 1 . . . . 93 D HN . 15852 1 432 . 1 1 93 93 ASP C C 13 176.827 0.2 . 1 . . . . 93 D C . 15852 1 433 . 1 1 93 93 ASP CA C 13 51.250 0.2 . 1 . . . . 93 D CA . 15852 1 434 . 1 1 93 93 ASP CB C 13 37.585 0.2 . 1 . . . . 93 D CB . 15852 1 435 . 1 1 93 93 ASP N N 15 116.287 0.2 . 1 . . . . 93 D N . 15852 1 436 . 1 1 94 94 LYS H H 1 7.731 0.01 . 1 . . . . 94 K HN . 15852 1 437 . 1 1 94 94 LYS C C 13 177.527 0.2 . 1 . . . . 94 K C . 15852 1 438 . 1 1 94 94 LYS CA C 13 58.155 0.2 . 1 . . . . 94 K CA . 15852 1 439 . 1 1 94 94 LYS CB C 13 31.582 0.2 . 1 . . . . 94 K CB . 15852 1 440 . 1 1 94 94 LYS N N 15 125.623 0.2 . 1 . . . . 94 K N . 15852 1 441 . 1 1 95 95 ASP H H 1 8.154 0.01 . 1 . . . . 95 D HN . 15852 1 442 . 1 1 95 95 ASP C C 13 176.927 0.2 . 1 . . . . 95 D C . 15852 1 443 . 1 1 95 95 ASP CA C 13 52.179 0.2 . 1 . . . . 95 D CA . 15852 1 444 . 1 1 95 95 ASP CB C 13 38.576 0.2 . 1 . . . . 95 D CB . 15852 1 445 . 1 1 95 95 ASP N N 15 114.063 0.2 . 1 . . . . 95 D N . 15852 1 446 . 1 1 96 96 GLY H H 1 7.762 0.01 . 1 . . . . 96 G HN . 15852 1 447 . 1 1 96 96 GLY C C 13 174.327 0.2 . 1 . . . . 96 G C . 15852 1 448 . 1 1 96 96 GLY CA C 13 46.238 0.2 . 1 . . . . 96 G CA . 15852 1 449 . 1 1 96 96 GLY N N 15 109.195 0.2 . 1 . . . . 96 G N . 15852 1 450 . 1 1 97 97 ASN H H 1 8.311 0.01 . 1 . . . . 97 N HN . 15852 1 451 . 1 1 97 97 ASN C C 13 175.327 0.2 . 1 . . . . 97 N C . 15852 1 452 . 1 1 97 97 ASN CA C 13 51.726 0.2 . 1 . . . . 97 N CA . 15852 1 453 . 1 1 97 97 ASN CB C 13 37.122 0.2 . 1 . . . . 97 N CB . 15852 1 454 . 1 1 97 97 ASN N N 15 119.619 0.2 . 1 . . . . 97 N N . 15852 1 455 . 1 1 98 98 GLY H H 1 10.647 0.01 . 1 . . . . 98 G HN . 15852 1 456 . 1 1 98 98 GLY C C 13 172.027 0.2 . 1 . . . . 98 G C . 15852 1 457 . 1 1 98 98 GLY CA C 13 44.077 0.2 . 1 . . . . 98 G CA . 15852 1 458 . 1 1 98 98 GLY N N 15 112.821 0.2 . 1 . . . . 98 G N . 15852 1 459 . 1 1 99 99 TYR H H 1 7.652 0.01 . 1 . . . . 99 Y HN . 15852 1 460 . 1 1 99 99 TYR C C 13 173.927 0.2 . 1 . . . . 99 Y C . 15852 1 461 . 1 1 99 99 TYR CA C 13 55.364 0.2 . 1 . . . . 99 Y CA . 15852 1 462 . 1 1 99 99 TYR CB C 13 41.846 0.2 . 1 . . . . 99 Y CB . 15852 1 463 . 1 1 99 99 TYR N N 15 116.207 0.2 . 1 . . . . 99 Y N . 15852 1 464 . 1 1 100 100 ILE H H 1 10.113 0.01 . 1 . . . . 100 I HN . 15852 1 465 . 1 1 100 100 ILE C C 13 174.627 0.2 . 1 . . . . 100 I C . 15852 1 466 . 1 1 100 100 ILE CA C 13 60.494 0.2 . 1 . . . . 100 I CA . 15852 1 467 . 1 1 100 100 ILE CB C 13 38.400 0.2 . 1 . . . . 100 I CB . 15852 1 468 . 1 1 100 100 ILE N N 15 127.346 0.2 . 1 . . . . 100 I N . 15852 1 469 . 1 1 101 101 SER H H 1 8.940 0.01 . 1 . . . . 101 S HN . 15852 1 470 . 1 1 101 101 SER C C 13 174.427 0.2 . 1 . . . . 101 S C . 15852 1 471 . 1 1 101 101 SER CA C 13 54.898 0.2 . 1 . . . . 101 S CA . 15852 1 472 . 1 1 101 101 SER CB C 13 66.143 0.2 . 1 . . . . 101 S CB . 15852 1 473 . 1 1 101 101 SER N N 15 123.763 0.2 . 1 . . . . 101 S N . 15852 1 474 . 1 1 102 102 ALA H H 1 9.206 0.01 . 1 . . . . 102 A HN . 15852 1 475 . 1 1 102 102 ALA C C 13 178.427 0.2 . 1 . . . . 102 A C . 15852 1 476 . 1 1 102 102 ALA CA C 13 55.057 0.2 . 1 . . . . 102 A CA . 15852 1 477 . 1 1 102 102 ALA CB C 13 16.975 0.2 . 1 . . . . 102 A CB . 15852 1 478 . 1 1 102 102 ALA N N 15 122.975 0.2 . 1 . . . . 102 A N . 15852 1 479 . 1 1 103 103 ALA H H 1 8.187 0.01 . 1 . . . . 103 A HN . 15852 1 480 . 1 1 103 103 ALA C C 13 180.727 0.2 . 1 . . . . 103 A C . 15852 1 481 . 1 1 103 103 ALA CA C 13 54.325 0.2 . 1 . . . . 103 A CA . 15852 1 482 . 1 1 103 103 ALA CB C 13 17.321 0.2 . 1 . . . . 103 A CB . 15852 1 483 . 1 1 103 103 ALA N N 15 118.349 0.2 . 1 . . . . 103 A N . 15852 1 484 . 1 1 104 104 GLU H H 1 7.856 0.01 . 1 . . . . 104 E HN . 15852 1 485 . 1 1 104 104 GLU C C 13 178.427 0.2 . 1 . . . . 104 E C . 15852 1 486 . 1 1 104 104 GLU CA C 13 58.585 0.2 . 1 . . . . 104 E CA . 15852 1 487 . 1 1 104 104 GLU CB C 13 28.089 0.2 . 1 . . . . 104 E CB . 15852 1 488 . 1 1 104 104 GLU N N 15 120.628 0.2 . 1 . . . . 104 E N . 15852 1 489 . 1 1 105 105 LEU H H 1 8.430 0.01 . 1 . . . . 105 L HN . 15852 1 490 . 1 1 105 105 LEU C C 13 177.527 0.2 . 1 . . . . 105 L C . 15852 1 491 . 1 1 105 105 LEU CA C 13 57.879 0.2 . 1 . . . . 105 L CA . 15852 1 492 . 1 1 105 105 LEU CB C 13 40.931 0.2 . 1 . . . . 105 L CB . 15852 1 493 . 1 1 105 105 LEU N N 15 120.955 0.2 . 1 . . . . 105 L N . 15852 1 494 . 1 1 106 106 ARG H H 1 8.656 0.01 . 1 . . . . 106 R HN . 15852 1 495 . 1 1 106 106 ARG C C 13 177.927 0.2 . 1 . . . . 106 R C . 15852 1 496 . 1 1 106 106 ARG CA C 13 59.270 0.2 . 1 . . . . 106 R CA . 15852 1 497 . 1 1 106 106 ARG CB C 13 29.366 0.2 . 1 . . . . 106 R CB . 15852 1 498 . 1 1 106 106 ARG N N 15 117.850 0.2 . 1 . . . . 106 R N . 15852 1 499 . 1 1 107 107 HIS H H 1 7.948 0.01 . 1 . . . . 107 H HN . 15852 1 500 . 1 1 107 107 HIS C C 13 176.927 0.2 . 1 . . . . 107 H C . 15852 1 501 . 1 1 107 107 HIS CA C 13 59.375 0.2 . 1 . . . . 107 H CA . 15852 1 502 . 1 1 107 107 HIS CB C 13 29.788 0.2 . 1 . . . . 107 H CB . 15852 1 503 . 1 1 107 107 HIS N N 15 119.760 0.2 . 1 . . . . 107 H N . 15852 1 504 . 1 1 108 108 VAL H H 1 7.880 0.01 . 1 . . . . 108 V HN . 15852 1 505 . 1 1 108 108 VAL C C 13 177.527 0.2 . 1 . . . . 108 V C . 15852 1 506 . 1 1 108 108 VAL CA C 13 66.028 0.2 . 1 . . . . 108 V CA . 15852 1 507 . 1 1 108 108 VAL CB C 13 30.626 0.2 . 1 . . . . 108 V CB . 15852 1 508 . 1 1 108 108 VAL N N 15 118.548 0.2 . 1 . . . . 108 V N . 15852 1 509 . 1 1 109 109 MET H H 1 8.342 0.01 . 1 . . . . 109 M HN . 15852 1 510 . 1 1 109 109 MET C C 13 178.527 0.2 . 1 . . . . 109 M C . 15852 1 511 . 1 1 109 109 MET CA C 13 56.413 0.2 . 1 . . . . 109 M CA . 15852 1 512 . 1 1 109 109 MET CB C 13 28.724 0.2 . 1 . . . . 109 M CB . 15852 1 513 . 1 1 109 109 MET N N 15 115.386 0.2 . 1 . . . . 109 M N . 15852 1 514 . 1 1 110 110 THR H H 1 8.238 0.01 . 1 . . . . 110 T HN . 15852 1 515 . 1 1 110 110 THR C C 13 177.627 0.2 . 1 . . . . 110 T C . 15852 1 516 . 1 1 110 110 THR CA C 13 65.796 0.2 . 1 . . . . 110 T CA . 15852 1 517 . 1 1 110 110 THR CB C 13 67.720 0.2 . 1 . . . . 110 T CB . 15852 1 518 . 1 1 110 110 THR N N 15 116.118 0.2 . 1 . . . . 110 T N . 15852 1 519 . 1 1 111 111 ASN H H 1 7.634 0.01 . 1 . . . . 111 N HN . 15852 1 520 . 1 1 111 111 ASN C C 13 175.627 0.2 . 1 . . . . 111 N C . 15852 1 521 . 1 1 111 111 ASN CA C 13 55.016 0.2 . 1 . . . . 111 N CA . 15852 1 522 . 1 1 111 111 ASN CB C 13 36.858 0.2 . 1 . . . . 111 N CB . 15852 1 523 . 1 1 111 111 ASN N N 15 122.999 0.2 . 1 . . . . 111 N N . 15852 1 524 . 1 1 112 112 LEU H H 1 7.699 0.01 . 1 . . . . 112 L HN . 15852 1 525 . 1 1 112 112 LEU C C 13 175.527 0.2 . 1 . . . . 112 L C . 15852 1 526 . 1 1 112 112 LEU CA C 13 54.282 0.2 . 1 . . . . 112 L CA . 15852 1 527 . 1 1 112 112 LEU CB C 13 40.950 0.2 . 1 . . . . 112 L CB . 15852 1 528 . 1 1 112 112 LEU N N 15 118.952 0.2 . 1 . . . . 112 L N . 15852 1 529 . 1 1 113 113 GLY H H 1 7.602 0.01 . 1 . . . . 113 G HN . 15852 1 530 . 1 1 113 113 GLY C C 13 173.627 0.2 . 1 . . . . 113 G C . 15852 1 531 . 1 1 113 113 GLY CA C 13 44.279 0.2 . 1 . . . . 113 G CA . 15852 1 532 . 1 1 113 113 GLY N N 15 105.566 0.2 . 1 . . . . 113 G N . 15852 1 533 . 1 1 114 114 GLU H H 1 7.934 0.01 . 1 . . . . 114 E HN . 15852 1 534 . 1 1 114 114 GLU C C 13 174.327 0.2 . 1 . . . . 114 E C . 15852 1 535 . 1 1 114 114 GLU CA C 13 54.117 0.2 . 1 . . . . 114 E CA . 15852 1 536 . 1 1 114 114 GLU CB C 13 29.685 0.2 . 1 . . . . 114 E CB . 15852 1 537 . 1 1 114 114 GLU N N 15 120.294 0.2 . 1 . . . . 114 E N . 15852 1 538 . 1 1 115 115 LYS H H 1 8.568 0.01 . 1 . . . . 115 K HN . 15852 1 539 . 1 1 115 115 LYS C C 13 174.627 0.2 . 1 . . . . 115 K C . 15852 1 540 . 1 1 115 115 LYS CA C 13 54.568 0.2 . 1 . . . . 115 K CA . 15852 1 541 . 1 1 115 115 LYS CB C 13 30.837 0.2 . 1 . . . . 115 K CB . 15852 1 542 . 1 1 115 115 LYS N N 15 125.563 0.2 . 1 . . . . 115 K N . 15852 1 543 . 1 1 116 116 LEU H H 1 7.966 0.01 . 1 . . . . 116 L HN . 15852 1 544 . 1 1 116 116 LEU C C 13 177.527 0.2 . 1 . . . . 116 L C . 15852 1 545 . 1 1 116 116 LEU CA C 13 53.053 0.2 . 1 . . . . 116 L CA . 15852 1 546 . 1 1 116 116 LEU CB C 13 43.919 0.2 . 1 . . . . 116 L CB . 15852 1 547 . 1 1 116 116 LEU N N 15 124.621 0.2 . 1 . . . . 116 L N . 15852 1 548 . 1 1 117 117 THR H H 1 9.220 0.01 . 1 . . . . 117 T HN . 15852 1 549 . 1 1 117 117 THR C C 13 174.727 0.2 . 1 . . . . 117 T C . 15852 1 550 . 1 1 117 117 THR CA C 13 59.801 0.2 . 1 . . . . 117 T CA . 15852 1 551 . 1 1 117 117 THR CB C 13 70.452 0.2 . 1 . . . . 117 T CB . 15852 1 552 . 1 1 117 117 THR N N 15 114.845 0.2 . 1 . . . . 117 T N . 15852 1 553 . 1 1 118 118 ASP H H 1 8.875 0.01 . 1 . . . . 118 D HN . 15852 1 554 . 1 1 118 118 ASP C C 13 177.827 0.2 . 1 . . . . 118 D C . 15852 1 555 . 1 1 118 118 ASP CA C 13 57.259 0.2 . 1 . . . . 118 D CA . 15852 1 556 . 1 1 118 118 ASP CB C 13 38.584 0.2 . 1 . . . . 118 D CB . 15852 1 557 . 1 1 118 118 ASP N N 15 121.055 0.2 . 1 . . . . 118 D N . 15852 1 558 . 1 1 119 119 GLU H H 1 8.599 0.01 . 1 . . . . 119 E HN . 15852 1 559 . 1 1 119 119 GLU C C 13 178.427 0.2 . 1 . . . . 119 E C . 15852 1 560 . 1 1 119 119 GLU CA C 13 59.159 0.2 . 1 . . . . 119 E CA . 15852 1 561 . 1 1 119 119 GLU CB C 13 28.160 0.2 . 1 . . . . 119 E CB . 15852 1 562 . 1 1 119 119 GLU N N 15 119.115 0.2 . 1 . . . . 119 E N . 15852 1 563 . 1 1 120 120 GLU H H 1 7.685 0.01 . 1 . . . . 120 E HN . 15852 1 564 . 1 1 120 120 GLU C C 13 178.927 0.2 . 1 . . . . 120 E C . 15852 1 565 . 1 1 120 120 GLU CA C 13 58.350 0.2 . 1 . . . . 120 E CA . 15852 1 566 . 1 1 120 120 GLU CB C 13 29.776 0.2 . 1 . . . . 120 E CB . 15852 1 567 . 1 1 120 120 GLU N N 15 120.381 0.2 . 1 . . . . 120 E N . 15852 1 568 . 1 1 121 121 VAL H H 1 7.990 0.01 . 1 . . . . 121 V HN . 15852 1 569 . 1 1 121 121 VAL C C 13 178.827 0.2 . 1 . . . . 121 V C . 15852 1 570 . 1 1 121 121 VAL CA C 13 66.201 0.2 . 1 . . . . 121 V CA . 15852 1 571 . 1 1 121 121 VAL CB C 13 30.482 0.2 . 1 . . . . 121 V CB . 15852 1 572 . 1 1 121 121 VAL N N 15 120.701 0.2 . 1 . . . . 121 V N . 15852 1 573 . 1 1 122 122 ASP H H 1 7.813 0.01 . 1 . . . . 122 D HN . 15852 1 574 . 1 1 122 122 ASP C C 13 178.727 0.2 . 1 . . . . 122 D C . 15852 1 575 . 1 1 122 122 ASP CA C 13 56.761 0.2 . 1 . . . . 122 D CA . 15852 1 576 . 1 1 122 122 ASP CB C 13 39.680 0.2 . 1 . . . . 122 D CB . 15852 1 577 . 1 1 122 122 ASP N N 15 119.766 0.2 . 1 . . . . 122 D N . 15852 1 578 . 1 1 123 123 GLU H H 1 8.013 0.01 . 1 . . . . 123 E HN . 15852 1 579 . 1 1 123 123 GLU C C 13 177.727 0.2 . 1 . . . . 123 E C . 15852 1 580 . 1 1 123 123 GLU CA C 13 58.539 0.2 . 1 . . . . 123 E CA . 15852 1 581 . 1 1 123 123 GLU CB C 13 28.709 0.2 . 1 . . . . 123 E CB . 15852 1 582 . 1 1 123 123 GLU N N 15 119.512 0.2 . 1 . . . . 123 E N . 15852 1 583 . 1 1 124 124 MET H H 1 7.760 0.01 . 1 . . . . 124 M HN . 15852 1 584 . 1 1 124 124 MET C C 13 178.227 0.2 . 1 . . . . 124 M C . 15852 1 585 . 1 1 124 124 MET CA C 13 59.157 0.2 . 1 . . . . 124 M CA . 15852 1 586 . 1 1 124 124 MET CB C 13 28.592 0.2 . 1 . . . . 124 M CB . 15852 1 587 . 1 1 124 124 MET N N 15 119.642 0.2 . 1 . . . . 124 M N . 15852 1 588 . 1 1 125 125 ILE H H 1 8.011 0.01 . 1 . . . . 125 I HN . 15852 1 589 . 1 1 125 125 ILE C C 13 178.527 0.2 . 1 . . . . 125 I C . 15852 1 590 . 1 1 125 125 ILE CA C 13 62.447 0.2 . 1 . . . . 125 I CA . 15852 1 591 . 1 1 125 125 ILE CB C 13 34.855 0.2 . 1 . . . . 125 I CB . 15852 1 592 . 1 1 125 125 ILE N N 15 119.272 0.2 . 1 . . . . 125 I N . 15852 1 593 . 1 1 126 126 ARG H H 1 8.253 0.01 . 1 . . . . 126 R HN . 15852 1 594 . 1 1 126 126 ARG C C 13 177.627 0.2 . 1 . . . . 126 R C . 15852 1 595 . 1 1 126 126 ARG CA C 13 58.816 0.2 . 1 . . . . 126 R CA . 15852 1 596 . 1 1 126 126 ARG CB C 13 29.456 0.2 . 1 . . . . 126 R CB . 15852 1 597 . 1 1 126 126 ARG N N 15 117.956 0.2 . 1 . . . . 126 R N . 15852 1 598 . 1 1 127 127 GLU H H 1 7.906 0.01 . 1 . . . . 127 E HN . 15852 1 599 . 1 1 127 127 GLU C C 13 176.327 0.2 . 1 . . . . 127 E C . 15852 1 600 . 1 1 127 127 GLU CA C 13 58.127 0.2 . 1 . . . . 127 E CA . 15852 1 601 . 1 1 127 127 GLU CB C 13 29.136 0.2 . 1 . . . . 127 E CB . 15852 1 602 . 1 1 127 127 GLU N N 15 116.947 0.2 . 1 . . . . 127 E N . 15852 1 603 . 1 1 128 128 ALA H H 1 7.198 0.01 . 1 . . . . 128 A HN . 15852 1 604 . 1 1 128 128 ALA C C 13 176.627 0.2 . 1 . . . . 128 A C . 15852 1 605 . 1 1 128 128 ALA CA C 13 50.445 0.2 . 1 . . . . 128 A CA . 15852 1 606 . 1 1 128 128 ALA CB C 13 21.324 0.2 . 1 . . . . 128 A CB . 15852 1 607 . 1 1 128 128 ALA N N 15 117.369 0.2 . 1 . . . . 128 A N . 15852 1 608 . 1 1 129 129 ASP H H 1 7.988 0.01 . 1 . . . . 129 D HN . 15852 1 609 . 1 1 129 129 ASP C C 13 175.027 0.2 . 1 . . . . 129 D C . 15852 1 610 . 1 1 129 129 ASP CA C 13 53.636 0.2 . 1 . . . . 129 D CA . 15852 1 611 . 1 1 129 129 ASP CB C 13 39.874 0.2 . 1 . . . . 129 D CB . 15852 1 612 . 1 1 129 129 ASP N N 15 118.092 0.2 . 1 . . . . 129 D N . 15852 1 613 . 1 1 130 130 ILE H H 1 8.201 0.01 . 1 . . . . 130 I HN . 15852 1 614 . 1 1 130 130 ILE C C 13 177.027 0.2 . 1 . . . . 130 I C . 15852 1 615 . 1 1 130 130 ILE CA C 13 62.585 0.2 . 1 . . . . 130 I CA . 15852 1 616 . 1 1 130 130 ILE CB C 13 37.635 0.2 . 1 . . . . 130 I CB . 15852 1 617 . 1 1 130 130 ILE N N 15 128.007 0.2 . 1 . . . . 130 I N . 15852 1 618 . 1 1 131 131 ASP H H 1 8.279 0.01 . 1 . . . . 131 D HN . 15852 1 619 . 1 1 131 131 ASP C C 13 177.427 0.2 . 1 . . . . 131 D C . 15852 1 620 . 1 1 131 131 ASP CA C 13 53.086 0.2 . 1 . . . . 131 D CA . 15852 1 621 . 1 1 131 131 ASP CB C 13 38.896 0.2 . 1 . . . . 131 D CB . 15852 1 622 . 1 1 131 131 ASP N N 15 116.628 0.2 . 1 . . . . 131 D N . 15852 1 623 . 1 1 132 132 GLY H H 1 7.609 0.01 . 1 . . . . 132 G HN . 15852 1 624 . 1 1 132 132 GLY C C 13 174.427 0.2 . 1 . . . . 132 G C . 15852 1 625 . 1 1 132 132 GLY CA C 13 46.493 0.2 . 1 . . . . 132 G CA . 15852 1 626 . 1 1 132 132 GLY N N 15 108.488 0.2 . 1 . . . . 132 G N . 15852 1 627 . 1 1 133 133 ASP H H 1 8.326 0.01 . 1 . . . . 133 D HN . 15852 1 628 . 1 1 133 133 ASP C C 13 176.727 0.2 . 1 . . . . 133 D C . 15852 1 629 . 1 1 133 133 ASP CA C 13 52.841 0.2 . 1 . . . . 133 D CA . 15852 1 630 . 1 1 133 133 ASP CB C 13 39.070 0.2 . 1 . . . . 133 D CB . 15852 1 631 . 1 1 133 133 ASP N N 15 120.674 0.2 . 1 . . . . 133 D N . 15852 1 632 . 1 1 134 134 GLY H H 1 10.109 0.01 . 1 . . . . 134 G HN . 15852 1 633 . 1 1 134 134 GLY C C 13 171.927 0.2 . 1 . . . . 134 G C . 15852 1 634 . 1 1 134 134 GLY CA C 13 44.908 0.2 . 1 . . . . 134 G CA . 15852 1 635 . 1 1 134 134 GLY N N 15 112.451 0.2 . 1 . . . . 134 G N . 15852 1 636 . 1 1 135 135 GLN H H 1 7.919 0.01 . 1 . . . . 135 Q HN . 15852 1 637 . 1 1 135 135 GLN C C 13 174.327 0.2 . 1 . . . . 135 Q C . 15852 1 638 . 1 1 135 135 GLN CA C 13 52.355 0.2 . 1 . . . . 135 Q CA . 15852 1 639 . 1 1 135 135 GLN CB C 13 31.560 0.2 . 1 . . . . 135 Q CB . 15852 1 640 . 1 1 135 135 GLN N N 15 115.245 0.2 . 1 . . . . 135 Q N . 15852 1 641 . 1 1 136 136 VAL H H 1 9.063 0.01 . 1 . . . . 136 V HN . 15852 1 642 . 1 1 136 136 VAL C C 13 175.027 0.2 . 1 . . . . 136 V C . 15852 1 643 . 1 1 136 136 VAL CA C 13 60.841 0.2 . 1 . . . . 136 V CA . 15852 1 644 . 1 1 136 136 VAL CB C 13 33.096 0.2 . 1 . . . . 136 V CB . 15852 1 645 . 1 1 136 136 VAL N N 15 125.523 0.2 . 1 . . . . 136 V N . 15852 1 646 . 1 1 137 137 ASN H H 1 9.408 0.01 . 1 . . . . 137 N HN . 15852 1 647 . 1 1 137 137 ASN C C 13 174.027 0.2 . 1 . . . . 137 N C . 15852 1 648 . 1 1 137 137 ASN CA C 13 50.172 0.2 . 1 . . . . 137 N CA . 15852 1 649 . 1 1 137 137 ASN CB C 13 37.607 0.2 . 1 . . . . 137 N CB . 15852 1 650 . 1 1 137 137 ASN N N 15 129.089 0.2 . 1 . . . . 137 N N . 15852 1 651 . 1 1 138 138 TYR H H 1 8.293 0.01 . 1 . . . . 138 Y HN . 15852 1 652 . 1 1 138 138 TYR C C 13 175.327 0.2 . 1 . . . . 138 Y C . 15852 1 653 . 1 1 138 138 TYR CA C 13 61.519 0.2 . 1 . . . . 138 Y CA . 15852 1 654 . 1 1 138 138 TYR CB C 13 36.631 0.2 . 1 . . . . 138 Y CB . 15852 1 655 . 1 1 138 138 TYR N N 15 118.577 0.2 . 1 . . . . 138 Y N . 15852 1 656 . 1 1 139 139 GLU H H 1 8.013 0.01 . 1 . . . . 139 E HN . 15852 1 657 . 1 1 139 139 GLU C C 13 179.527 0.2 . 1 . . . . 139 E C . 15852 1 658 . 1 1 139 139 GLU CA C 13 59.376 0.2 . 1 . . . . 139 E CA . 15852 1 659 . 1 1 139 139 GLU CB C 13 27.940 0.2 . 1 . . . . 139 E CB . 15852 1 660 . 1 1 139 139 GLU N N 15 118.351 0.2 . 1 . . . . 139 E N . 15852 1 661 . 1 1 140 140 GLU H H 1 8.664 0.01 . 1 . . . . 140 E HN . 15852 1 662 . 1 1 140 140 GLU C C 13 178.427 0.2 . 1 . . . . 140 E C . 15852 1 663 . 1 1 140 140 GLU CA C 13 57.843 0.2 . 1 . . . . 140 E CA . 15852 1 664 . 1 1 140 140 GLU CB C 13 28.540 0.2 . 1 . . . . 140 E CB . 15852 1 665 . 1 1 140 140 GLU N N 15 119.622 0.2 . 1 . . . . 140 E N . 15852 1 666 . 1 1 141 141 PHE H H 1 8.483 0.01 . 1 . . . . 141 F HN . 15852 1 667 . 1 1 141 141 PHE C C 13 175.927 0.2 . 1 . . . . 141 F C . 15852 1 668 . 1 1 141 141 PHE CA C 13 61.100 0.2 . 1 . . . . 141 F CA . 15852 1 669 . 1 1 141 141 PHE CB C 13 39.514 0.2 . 1 . . . . 141 F CB . 15852 1 670 . 1 1 141 141 PHE N N 15 124.431 0.2 . 1 . . . . 141 F N . 15852 1 671 . 1 1 142 142 VAL H H 1 8.613 0.01 . 1 . . . . 142 V HN . 15852 1 672 . 1 1 142 142 VAL C C 13 176.527 0.2 . 1 . . . . 142 V C . 15852 1 673 . 1 1 142 142 VAL CA C 13 66.193 0.2 . 1 . . . . 142 V CA . 15852 1 674 . 1 1 142 142 VAL CB C 13 30.418 0.2 . 1 . . . . 142 V CB . 15852 1 675 . 1 1 142 142 VAL N N 15 118.761 0.2 . 1 . . . . 142 V N . 15852 1 676 . 1 1 143 143 GLN H H 1 7.827 0.01 . 1 . . . . 143 Q HN . 15852 1 677 . 1 1 143 143 GLN C C 13 177.327 0.2 . 1 . . . . 143 Q C . 15852 1 678 . 1 1 143 143 GLN CA C 13 58.207 0.2 . 1 . . . . 143 Q CA . 15852 1 679 . 1 1 143 143 GLN CB C 13 26.865 0.2 . 1 . . . . 143 Q CB . 15852 1 680 . 1 1 143 143 GLN N N 15 119.122 0.2 . 1 . . . . 143 Q N . 15852 1 681 . 1 1 144 144 MET H H 1 7.480 0.01 . 1 . . . . 144 M HN . 15852 1 682 . 1 1 144 144 MET C C 13 177.127 0.2 . 1 . . . . 144 M C . 15852 1 683 . 1 1 144 144 MET CA C 13 56.977 0.2 . 1 . . . . 144 M CA . 15852 1 684 . 1 1 144 144 MET CB C 13 30.013 0.2 . 1 . . . . 144 M CB . 15852 1 685 . 1 1 144 144 MET N N 15 118.371 0.2 . 1 . . . . 144 M N . 15852 1 686 . 1 1 145 145 MET H H 1 7.464 0.01 . 1 . . . . 145 M HN . 15852 1 687 . 1 1 145 145 MET C C 13 177.227 0.2 . 1 . . . . 145 M C . 15852 1 688 . 1 1 145 145 MET CA C 13 54.042 0.2 . 1 . . . . 145 M CA . 15852 1 689 . 1 1 145 145 MET CB C 13 29.558 0.2 . 1 . . . . 145 M CB . 15852 1 690 . 1 1 145 145 MET N N 15 114.825 0.2 . 1 . . . . 145 M N . 15852 1 691 . 1 1 146 146 THR H H 1 7.668 0.01 . 1 . . . . 146 T HN . 15852 1 692 . 1 1 146 146 THR C C 13 173.627 0.2 . 1 . . . . 146 T C . 15852 1 693 . 1 1 146 146 THR CA C 13 61.235 0.2 . 1 . . . . 146 T CA . 15852 1 694 . 1 1 146 146 THR CB C 13 69.604 0.2 . 1 . . . . 146 T CB . 15852 1 695 . 1 1 146 146 THR N N 15 109.676 0.2 . 1 . . . . 146 T N . 15852 1 696 . 1 1 147 147 ALA H H 1 7.439 0.01 . 1 . . . . 147 A HN . 15852 1 697 . 1 1 147 147 ALA C C 13 176.027 0.2 . 1 . . . . 147 A C . 15852 1 698 . 1 1 147 147 ALA CA C 13 52.043 0.2 . 1 . . . . 147 A CA . 15852 1 699 . 1 1 147 147 ALA CB C 13 18.089 0.2 . 1 . . . . 147 A CB . 15852 1 700 . 1 1 147 147 ALA N N 15 126.765 0.2 . 1 . . . . 147 A N . 15852 1 701 . 1 1 148 148 LYS H H 1 7.997 0.01 . 1 . . . . 148 K HN . 15852 1 702 . 1 1 148 148 LYS CA C 13 57.009 0.2 . 1 . . . . 148 K CA . 15852 1 703 . 1 1 148 148 LYS CB C 13 32.532 0.2 . 1 . . . . 148 K CB . 15852 1 704 . 1 1 148 148 LYS N N 15 126.725 0.2 . 1 . . . . 148 K N . 15852 1 stop_ save_