################################### # 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_3CaDyCaM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 3CaDyCaM _Assigned_chem_shift_list.Entry_ID 7417 _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' . . . 7417 1 2 '3D HNCO' . . . 7417 1 3 '3D HNCA' . . . 7417 1 4 '3D CBCA(CO)NH' . . . 7417 1 5 '3D HN(CO)CA' . . . 7417 1 6 IPAP . . . 7417 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 . . 7417 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 2 2 ASP H H 1 9.366 0.01 . 1 . . . . 2 D HN . 7417 1 2 . 1 1 2 2 ASP C C 13 176.727 0.2 . 1 . . . . 2 D C . 7417 1 3 . 1 1 2 2 ASP CA C 13 55.541 0.2 . 1 . . . . 2 D CA . 7417 1 4 . 1 1 2 2 ASP CB C 13 41.051 0.2 . 1 . . . . 2 D CB . 7417 1 5 . 1 1 2 2 ASP N N 15 118.589 0.2 . 1 . . . . 2 D N . 7417 1 6 . 1 1 3 3 GLN H H 1 9.129 0.01 . 1 . . . . 3 Q HN . 7417 1 7 . 1 1 3 3 GLN C C 13 176.227 0.2 . 1 . . . . 3 Q C . 7417 1 8 . 1 1 3 3 GLN CA C 13 55.833 0.2 . 1 . . . . 3 Q CA . 7417 1 9 . 1 1 3 3 GLN CB C 13 29.793 0.2 . 1 . . . . 3 Q CB . 7417 1 10 . 1 1 3 3 GLN N N 15 119.234 0.2 . 1 . . . . 3 Q N . 7417 1 11 . 1 1 4 4 LEU H H 1 9.474 0.01 . 1 . . . . 4 L HN . 7417 1 12 . 1 1 4 4 LEU C C 13 178.127 0.2 . 1 . . . . 4 L C . 7417 1 13 . 1 1 4 4 LEU CA C 13 54.886 0.2 . 1 . . . . 4 L CA . 7417 1 14 . 1 1 4 4 LEU CB C 13 44.366 0.2 . 1 . . . . 4 L CB . 7417 1 15 . 1 1 4 4 LEU N N 15 123.206 0.2 . 1 . . . . 4 L N . 7417 1 16 . 1 1 5 5 THR H H 1 9.878 0.01 . 1 . . . . 5 T HN . 7417 1 17 . 1 1 5 5 THR C C 13 175.927 0.2 . 1 . . . . 5 T C . 7417 1 18 . 1 1 5 5 THR CA C 13 60.739 0.2 . 1 . . . . 5 T CA . 7417 1 19 . 1 1 5 5 THR CB C 13 71.466 0.2 . 1 . . . . 5 T CB . 7417 1 20 . 1 1 5 5 THR N N 15 114.156 0.2 . 1 . . . . 5 T N . 7417 1 21 . 1 1 6 6 GLU H H 1 10.104 0.01 . 1 . . . . 6 E HN . 7417 1 22 . 1 1 6 6 GLU C C 13 180.027 0.2 . 1 . . . . 6 E C . 7417 1 23 . 1 1 6 6 GLU CA C 13 60.656 0.2 . 1 . . . . 6 E CA . 7417 1 24 . 1 1 6 6 GLU CB C 13 29.329 0.2 . 1 . . . . 6 E CB . 7417 1 25 . 1 1 6 6 GLU N N 15 121.534 0.2 . 1 . . . . 6 E N . 7417 1 26 . 1 1 7 7 GLU H H 1 9.592 0.01 . 1 . . . . 7 E HN . 7417 1 27 . 1 1 7 7 GLU C C 13 179.227 0.2 . 1 . . . . 7 E C . 7417 1 28 . 1 1 7 7 GLU CA C 13 60.102 0.2 . 1 . . . . 7 E CA . 7417 1 29 . 1 1 7 7 GLU CB C 13 29.145 0.2 . 1 . . . . 7 E CB . 7417 1 30 . 1 1 7 7 GLU N N 15 120.675 0.2 . 1 . . . . 7 E N . 7417 1 31 . 1 1 8 8 GLN H H 1 8.743 0.01 . 1 . . . . 8 Q HN . 7417 1 32 . 1 1 8 8 GLN C C 13 178.827 0.2 . 1 . . . . 8 Q C . 7417 1 33 . 1 1 8 8 GLN CA C 13 58.989 0.2 . 1 . . . . 8 Q CA . 7417 1 34 . 1 1 8 8 GLN CB C 13 29.236 0.2 . 1 . . . . 8 Q CB . 7417 1 35 . 1 1 8 8 GLN N N 15 121.085 0.2 . 1 . . . . 8 Q N . 7417 1 36 . 1 1 9 9 ILE H H 1 9.942 0.01 . 1 . . . . 9 I HN . 7417 1 37 . 1 1 9 9 ILE C C 13 179.027 0.2 . 1 . . . . 9 I C . 7417 1 38 . 1 1 9 9 ILE CA C 13 67.757 0.2 . 1 . . . . 9 I CA . 7417 1 39 . 1 1 9 9 ILE CB C 13 39.626 0.2 . 1 . . . . 9 I CB . 7417 1 40 . 1 1 9 9 ILE N N 15 120.931 0.2 . 1 . . . . 9 I N . 7417 1 41 . 1 1 10 10 ALA H H 1 9.518 0.01 . 1 . . . . 10 A HN . 7417 1 42 . 1 1 10 10 ALA C C 13 181.827 0.2 . 1 . . . . 10 A C . 7417 1 43 . 1 1 10 10 ALA CA C 13 56.17 0.2 . 1 . . . . 10 A CA . 7417 1 44 . 1 1 10 10 ALA CB C 13 18.076 0.2 . 1 . . . . 10 A CB . 7417 1 45 . 1 1 10 10 ALA N N 15 122.849 0.2 . 1 . . . . 10 A N . 7417 1 46 . 1 1 11 11 GLU H H 1 8.933 0.01 . 1 . . . . 11 E HN . 7417 1 47 . 1 1 11 11 GLU C C 13 180.727 0.2 . 1 . . . . 11 E C . 7417 1 48 . 1 1 11 11 GLU CA C 13 59.452 0.2 . 1 . . . . 11 E CA . 7417 1 49 . 1 1 11 11 GLU CB C 13 29.121 0.2 . 1 . . . . 11 E CB . 7417 1 50 . 1 1 11 11 GLU N N 15 120.556 0.2 . 1 . . . . 11 E N . 7417 1 51 . 1 1 12 12 PHE H H 1 10.022 0.01 . 1 . . . . 12 F HN . 7417 1 52 . 1 1 12 12 PHE C C 13 179.627 0.2 . 1 . . . . 12 F C . 7417 1 53 . 1 1 12 12 PHE CA C 13 58.587 0.2 . 1 . . . . 12 F CA . 7417 1 54 . 1 1 12 12 PHE CB C 13 37.698 0.2 . 1 . . . . 12 F CB . 7417 1 55 . 1 1 12 12 PHE N N 15 121.36 0.2 . 1 . . . . 12 F N . 7417 1 56 . 1 1 13 13 LYS H H 1 11.089 0.01 . 1 . . . . 13 K HN . 7417 1 57 . 1 1 13 13 LYS C C 13 179.627 0.2 . 1 . . . . 13 K C . 7417 1 58 . 1 1 13 13 LYS CA C 13 61.273 0.2 . 1 . . . . 13 K CA . 7417 1 59 . 1 1 13 13 LYS CB C 13 33.143 0.2 . 1 . . . . 13 K CB . 7417 1 60 . 1 1 13 13 LYS N N 15 125.878 0.2 . 1 . . . . 13 K N . 7417 1 61 . 1 1 14 14 GLU H H 1 8.706 0.01 . 1 . . . . 14 E HN . 7417 1 62 . 1 1 14 14 GLU C C 13 178.827 0.2 . 1 . . . . 14 E C . 7417 1 63 . 1 1 14 14 GLU CA C 13 59.169 0.2 . 1 . . . . 14 E CA . 7417 1 64 . 1 1 14 14 GLU CB C 13 29.059 0.2 . 1 . . . . 14 E CB . 7417 1 65 . 1 1 14 14 GLU N N 15 120.719 0.2 . 1 . . . . 14 E N . 7417 1 66 . 1 1 15 15 ALA H H 1 8.02 0.01 . 1 . . . . 15 A HN . 7417 1 67 . 1 1 15 15 ALA C C 13 176.327 0.2 . 1 . . . . 15 A C . 7417 1 68 . 1 1 15 15 ALA CA C 13 54.661 0.2 . 1 . . . . 15 A CA . 7417 1 69 . 1 1 15 15 ALA CB C 13 16.615 0.2 . 1 . . . . 15 A CB . 7417 1 70 . 1 1 15 15 ALA N N 15 121.453 0.2 . 1 . . . . 15 A N . 7417 1 71 . 1 1 16 16 PHE H H 1 8.943 0.01 . 1 . . . . 16 F HN . 7417 1 72 . 1 1 16 16 PHE C C 13 176.727 0.2 . 1 . . . . 16 F C . 7417 1 73 . 1 1 16 16 PHE CA C 13 60.523 0.2 . 1 . . . . 16 F CA . 7417 1 74 . 1 1 16 16 PHE CB C 13 39.709 0.2 . 1 . . . . 16 F CB . 7417 1 75 . 1 1 16 16 PHE N N 15 118.469 0.2 . 1 . . . . 16 F N . 7417 1 76 . 1 1 18 18 LEU H H 1 5.997 0.01 . 1 . . . . 18 L HN . 7417 1 77 . 1 1 18 18 LEU C C 13 177.927 0.2 . 1 . . . . 18 L C . 7417 1 78 . 1 1 18 18 LEU CA C 13 54.889 0.2 . 1 . . . . 18 L CA . 7417 1 79 . 1 1 18 18 LEU CB C 13 38.692 0.2 . 1 . . . . 18 L CB . 7417 1 80 . 1 1 18 18 LEU N N 15 118.763 0.2 . 1 . . . . 18 L N . 7417 1 81 . 1 1 25 25 GLY H H 1 10.362 0.01 . 1 . . . . 25 G HN . 7417 1 82 . 1 1 25 25 GLY C C 13 173.027 0.2 . 1 . . . . 25 G C . 7417 1 83 . 1 1 25 25 GLY CA C 13 44.813 0.2 . 1 . . . . 25 G CA . 7417 1 84 . 1 1 25 25 GLY N N 15 113.196 0.2 . 1 . . . . 25 G N . 7417 1 85 . 1 1 37 37 ARG H H 1 5.994 0.01 . 1 . . . . 37 R HN . 7417 1 86 . 1 1 37 37 ARG C C 13 179.027 0.2 . 1 . . . . 37 R C . 7417 1 87 . 1 1 37 37 ARG CA C 13 56.01 0.2 . 1 . . . . 37 R CA . 7417 1 88 . 1 1 37 37 ARG CB C 13 23.882 0.2 . 1 . . . . 37 R CB . 7417 1 89 . 1 1 37 37 ARG N N 15 115.521 0.2 . 1 . . . . 37 R N . 7417 1 90 . 1 1 38 38 SER H H 1 5.781 0.01 . 1 . . . . 38 S HN . 7417 1 91 . 1 1 38 38 SER C C 13 174.227 0.2 . 1 . . . . 38 S C . 7417 1 92 . 1 1 38 38 SER CA C 13 59.463 0.2 . 1 . . . . 38 S CA . 7417 1 93 . 1 1 38 38 SER CB C 13 61.91 0.2 . 1 . . . . 38 S CB . 7417 1 94 . 1 1 38 38 SER N N 15 117.444 0.2 . 1 . . . . 38 S N . 7417 1 95 . 1 1 40 40 GLY H H 1 6.238 0.01 . 1 . . . . 40 G HN . 7417 1 96 . 1 1 40 40 GLY C C 13 172.427 0.2 . 1 . . . . 40 G C . 7417 1 97 . 1 1 40 40 GLY CA C 13 43.284 0.2 . 1 . . . . 40 G CA . 7417 1 98 . 1 1 40 40 GLY N N 15 105.234 0.2 . 1 . . . . 40 G N . 7417 1 99 . 1 1 41 41 GLN H H 1 6.146 0.01 . 1 . . . . 41 Q HN . 7417 1 100 . 1 1 41 41 GLN C C 13 171.927 0.2 . 1 . . . . 41 Q C . 7417 1 101 . 1 1 41 41 GLN CA C 13 52.396 0.2 . 1 . . . . 41 Q CA . 7417 1 102 . 1 1 41 41 GLN CB C 13 26.84 0.2 . 1 . . . . 41 Q CB . 7417 1 103 . 1 1 41 41 GLN N N 15 117.553 0.2 . 1 . . . . 41 Q N . 7417 1 104 . 1 1 42 42 ASN H H 1 7.216 0.01 . 1 . . . . 42 N HN . 7417 1 105 . 1 1 42 42 ASN CA C 13 49.104 0.2 . 1 . . . . 42 N CA . 7417 1 106 . 1 1 42 42 ASN CB C 13 37.33 0.2 . 1 . . . . 42 N CB . 7417 1 107 . 1 1 42 42 ASN N N 15 114.507 0.2 . 1 . . . . 42 N N . 7417 1 108 . 1 1 44 44 THR H H 1 7.357 0.01 . 1 . . . . 44 T HN . 7417 1 109 . 1 1 44 44 THR C C 13 172.627 0.2 . 1 . . . . 44 T C . 7417 1 110 . 1 1 44 44 THR CA C 13 58.312 0.2 . 1 . . . . 44 T CA . 7417 1 111 . 1 1 44 44 THR CB C 13 69.512 0.2 . 1 . . . . 44 T CB . 7417 1 112 . 1 1 44 44 THR N N 15 111.873 0.2 . 1 . . . . 44 T N . 7417 1 113 . 1 1 45 45 GLU H H 1 7.51 0.01 . 1 . . . . 45 E HN . 7417 1 114 . 1 1 45 45 GLU C C 13 176.727 0.2 . 1 . . . . 45 E C . 7417 1 115 . 1 1 45 45 GLU CA C 13 57.393 0.2 . 1 . . . . 45 E CA . 7417 1 116 . 1 1 45 45 GLU CB C 13 26.628 0.2 . 1 . . . . 45 E CB . 7417 1 117 . 1 1 45 45 GLU N N 15 118.946 0.2 . 1 . . . . 45 E N . 7417 1 118 . 1 1 46 46 ALA H H 1 7.504 0.01 . 1 . . . . 46 A HN . 7417 1 119 . 1 1 46 46 ALA C C 13 178.727 0.2 . 1 . . . . 46 A C . 7417 1 120 . 1 1 46 46 ALA CA C 13 53.784 0.2 . 1 . . . . 46 A CA . 7417 1 121 . 1 1 46 46 ALA CB C 13 17.041 0.2 . 1 . . . . 46 A CB . 7417 1 122 . 1 1 46 46 ALA N N 15 119.8 0.2 . 1 . . . . 46 A N . 7417 1 123 . 1 1 47 47 GLU H H 1 6.461 0.01 . 1 . . . . 47 E HN . 7417 1 124 . 1 1 47 47 GLU C C 13 179.227 0.2 . 1 . . . . 47 E C . 7417 1 125 . 1 1 47 47 GLU CA C 13 56.578 0.2 . 1 . . . . 47 E CA . 7417 1 126 . 1 1 47 47 GLU CB C 13 26.684 0.2 . 1 . . . . 47 E CB . 7417 1 127 . 1 1 47 47 GLU N N 15 117.364 0.2 . 1 . . . . 47 E N . 7417 1 128 . 1 1 50 50 ASP H H 1 6.771 0.01 . 1 . . . . 50 D HN . 7417 1 129 . 1 1 50 50 ASP C C 13 177.827 0.2 . 1 . . . . 50 D C . 7417 1 130 . 1 1 50 50 ASP CA C 13 56.482 0.2 . 1 . . . . 50 D CA . 7417 1 131 . 1 1 50 50 ASP CB C 13 38.894 0.2 . 1 . . . . 50 D CB . 7417 1 132 . 1 1 50 50 ASP N N 15 119.21 0.2 . 1 . . . . 50 D N . 7417 1 133 . 1 1 77 77 LYS H H 1 7.446 0.01 . 1 . . . . 77 K HN . 7417 1 134 . 1 1 77 77 LYS C C 13 176.627 0.2 . 1 . . . . 77 K C . 7417 1 135 . 1 1 77 77 LYS CA C 13 56.947 0.2 . 1 . . . . 77 K CA . 7417 1 136 . 1 1 77 77 LYS CB C 13 31.801 0.2 . 1 . . . . 77 K CB . 7417 1 137 . 1 1 77 77 LYS N N 15 118.22 0.2 . 1 . . . . 77 K N . 7417 1 138 . 1 1 78 78 ASP H H 1 7.835 0.01 . 1 . . . . 78 D HN . 7417 1 139 . 1 1 78 78 ASP C C 13 175.427 0.2 . 1 . . . . 78 D C . 7417 1 140 . 1 1 78 78 ASP CA C 13 54.206 0.2 . 1 . . . . 78 D CA . 7417 1 141 . 1 1 78 78 ASP CB C 13 40.757 0.2 . 1 . . . . 78 D CB . 7417 1 142 . 1 1 78 78 ASP N N 15 117.985 0.2 . 1 . . . . 78 D N . 7417 1 143 . 1 1 79 79 THR H H 1 7.348 0.01 . 1 . . . . 79 T HN . 7417 1 144 . 1 1 79 79 THR C C 13 172.727 0.2 . 1 . . . . 79 T C . 7417 1 145 . 1 1 79 79 THR CA C 13 61.02 0.2 . 1 . . . . 79 T CA . 7417 1 146 . 1 1 79 79 THR CB C 13 69.516 0.2 . 1 . . . . 79 T CB . 7417 1 147 . 1 1 79 79 THR N N 15 112.898 0.2 . 1 . . . . 79 T N . 7417 1 148 . 1 1 80 80 ASP H H 1 8.333 0.01 . 1 . . . . 80 D HN . 7417 1 149 . 1 1 80 80 ASP C C 13 175.627 0.2 . 1 . . . . 80 D C . 7417 1 150 . 1 1 80 80 ASP CA C 13 52.707 0.2 . 1 . . . . 80 D CA . 7417 1 151 . 1 1 80 80 ASP CB C 13 40.696 0.2 . 1 . . . . 80 D CB . 7417 1 152 . 1 1 80 80 ASP N N 15 124.331 0.2 . 1 . . . . 80 D N . 7417 1 153 . 1 1 81 81 SER H H 1 8.496 0.01 . 1 . . . . 81 S HN . 7417 1 154 . 1 1 81 81 SER C C 13 175.027 0.2 . 1 . . . . 81 S C . 7417 1 155 . 1 1 81 81 SER CA C 13 59.756 0.2 . 1 . . . . 81 S CA . 7417 1 156 . 1 1 81 81 SER CB C 13 62.401 0.2 . 1 . . . . 81 S CB . 7417 1 157 . 1 1 81 81 SER N N 15 120.306 0.2 . 1 . . . . 81 S N . 7417 1 158 . 1 1 82 82 GLU H H 1 8.154 0.01 . 1 . . . . 82 E HN . 7417 1 159 . 1 1 82 82 GLU C C 13 178.027 0.2 . 1 . . . . 82 E C . 7417 1 160 . 1 1 82 82 GLU CA C 13 58.603 0.2 . 1 . . . . 82 E CA . 7417 1 161 . 1 1 82 82 GLU CB C 13 28.23 0.2 . 1 . . . . 82 E CB . 7417 1 162 . 1 1 82 82 GLU N N 15 121.514 0.2 . 1 . . . . 82 E N . 7417 1 163 . 1 1 83 83 GLU H H 1 7.814 0.01 . 1 . . . . 83 E HN . 7417 1 164 . 1 1 83 83 GLU C C 13 177.427 0.2 . 1 . . . . 83 E C . 7417 1 165 . 1 1 83 83 GLU CA C 13 58.152 0.2 . 1 . . . . 83 E CA . 7417 1 166 . 1 1 83 83 GLU CB C 13 28.549 0.2 . 1 . . . . 83 E CB . 7417 1 167 . 1 1 83 83 GLU N N 15 119.393 0.2 . 1 . . . . 83 E N . 7417 1 168 . 1 1 84 84 GLU H H 1 7.861 0.01 . 1 . . . . 84 E HN . 7417 1 169 . 1 1 84 84 GLU C C 13 179.527 0.2 . 1 . . . . 84 E C . 7417 1 170 . 1 1 84 84 GLU CA C 13 58.656 0.2 . 1 . . . . 84 E CA . 7417 1 171 . 1 1 84 84 GLU CB C 13 28.979 0.2 . 1 . . . . 84 E CB . 7417 1 172 . 1 1 84 84 GLU N N 15 117.641 0.2 . 1 . . . . 84 E N . 7417 1 173 . 1 1 85 85 ILE H H 1 7.879 0.01 . 1 . . . . 85 I HN . 7417 1 174 . 1 1 85 85 ILE C C 13 176.827 0.2 . 1 . . . . 85 I C . 7417 1 175 . 1 1 85 85 ILE CA C 13 65.431 0.2 . 1 . . . . 85 I CA . 7417 1 176 . 1 1 85 85 ILE CB C 13 36.713 0.2 . 1 . . . . 85 I CB . 7417 1 177 . 1 1 85 85 ILE N N 15 121.146 0.2 . 1 . . . . 85 I N . 7417 1 178 . 1 1 86 86 ARG H H 1 7.941 0.01 . 1 . . . . 86 R HN . 7417 1 179 . 1 1 86 86 ARG C C 13 178.127 0.2 . 1 . . . . 86 R C . 7417 1 180 . 1 1 86 86 ARG CA C 13 59.29 0.2 . 1 . . . . 86 R CA . 7417 1 181 . 1 1 86 86 ARG CB C 13 28.71 0.2 . 1 . . . . 86 R CB . 7417 1 182 . 1 1 86 86 ARG N N 15 122.037 0.2 . 1 . . . . 86 R N . 7417 1 183 . 1 1 87 87 GLU H H 1 7.968 0.01 . 1 . . . . 87 E HN . 7417 1 184 . 1 1 87 87 GLU C C 13 178.927 0.2 . 1 . . . . 87 E C . 7417 1 185 . 1 1 87 87 GLU CA C 13 57.423 0.2 . 1 . . . . 87 E CA . 7417 1 186 . 1 1 87 87 GLU CB C 13 28.255 0.2 . 1 . . . . 87 E CB . 7417 1 187 . 1 1 87 87 GLU N N 15 116.704 0.2 . 1 . . . . 87 E N . 7417 1 188 . 1 1 88 88 ALA H H 1 7.548 0.01 . 1 . . . . 88 A HN . 7417 1 189 . 1 1 88 88 ALA C C 13 177.627 0.2 . 1 . . . . 88 A C . 7417 1 190 . 1 1 88 88 ALA CA C 13 54.443 0.2 . 1 . . . . 88 A CA . 7417 1 191 . 1 1 88 88 ALA CB C 13 17.882 0.2 . 1 . . . . 88 A CB . 7417 1 192 . 1 1 88 88 ALA N N 15 120.143 0.2 . 1 . . . . 88 A N . 7417 1 193 . 1 1 89 89 PHE H H 1 8.342 0.01 . 1 . . . . 89 F HN . 7417 1 194 . 1 1 89 89 PHE C C 13 175.327 0.2 . 1 . . . . 89 F C . 7417 1 195 . 1 1 89 89 PHE CA C 13 61.335 0.2 . 1 . . . . 89 F CA . 7417 1 196 . 1 1 89 89 PHE CB C 13 37.344 0.2 . 1 . . . . 89 F CB . 7417 1 197 . 1 1 89 89 PHE N N 15 119.579 0.2 . 1 . . . . 89 F N . 7417 1 198 . 1 1 90 90 ARG H H 1 7 0.01 . 1 . . . . 90 R HN . 7417 1 199 . 1 1 90 90 ARG C C 13 175.827 0.2 . 1 . . . . 90 R C . 7417 1 200 . 1 1 90 90 ARG CA C 13 57.401 0.2 . 1 . . . . 90 R CA . 7417 1 201 . 1 1 90 90 ARG CB C 13 28.664 0.2 . 1 . . . . 90 R CB . 7417 1 202 . 1 1 90 90 ARG N N 15 114.106 0.2 . 1 . . . . 90 R N . 7417 1 203 . 1 1 91 91 VAL H H 1 6.498 0.01 . 1 . . . . 91 V HN . 7417 1 204 . 1 1 91 91 VAL C C 13 175.527 0.2 . 1 . . . . 91 V C . 7417 1 205 . 1 1 91 91 VAL CA C 13 63.828 0.2 . 1 . . . . 91 V CA . 7417 1 206 . 1 1 91 91 VAL CB C 13 29.857 0.2 . 1 . . . . 91 V CB . 7417 1 207 . 1 1 91 91 VAL N N 15 116.739 0.2 . 1 . . . . 91 V N . 7417 1 208 . 1 1 92 92 PHE H H 1 6.556 0.01 . 1 . . . . 92 F HN . 7417 1 209 . 1 1 92 92 PHE C C 13 175.627 0.2 . 1 . . . . 92 F C . 7417 1 210 . 1 1 92 92 PHE CA C 13 59.381 0.2 . 1 . . . . 92 F CA . 7417 1 211 . 1 1 92 92 PHE CB C 13 39.829 0.2 . 1 . . . . 92 F CB . 7417 1 212 . 1 1 92 92 PHE N N 15 115.367 0.2 . 1 . . . . 92 F N . 7417 1 213 . 1 1 93 93 ASP H H 1 7.388 0.01 . 1 . . . . 93 D HN . 7417 1 214 . 1 1 93 93 ASP C C 13 175.927 0.2 . 1 . . . . 93 D C . 7417 1 215 . 1 1 93 93 ASP CA C 13 50.663 0.2 . 1 . . . . 93 D CA . 7417 1 216 . 1 1 93 93 ASP CB C 13 37.253 0.2 . 1 . . . . 93 D CB . 7417 1 217 . 1 1 93 93 ASP N N 15 115.489 0.2 . 1 . . . . 93 D N . 7417 1 218 . 1 1 94 94 LYS H H 1 6.887 0.01 . 1 . . . . 94 K HN . 7417 1 219 . 1 1 94 94 LYS C C 13 176.927 0.2 . 1 . . . . 94 K C . 7417 1 220 . 1 1 94 94 LYS CA C 13 57.882 0.2 . 1 . . . . 94 K CA . 7417 1 221 . 1 1 94 94 LYS CB C 13 31.044 0.2 . 1 . . . . 94 K CB . 7417 1 222 . 1 1 94 94 LYS N N 15 124.918 0.2 . 1 . . . . 94 K N . 7417 1 223 . 1 1 95 95 ASP H H 1 7.796 0.01 . 1 . . . . 95 D HN . 7417 1 224 . 1 1 95 95 ASP C C 13 176.627 0.2 . 1 . . . . 95 D C . 7417 1 225 . 1 1 95 95 ASP CA C 13 51.841 0.2 . 1 . . . . 95 D CA . 7417 1 226 . 1 1 95 95 ASP CB C 13 38.268 0.2 . 1 . . . . 95 D CB . 7417 1 227 . 1 1 95 95 ASP N N 15 113.579 0.2 . 1 . . . . 95 D N . 7417 1 228 . 1 1 96 96 GLY H H 1 7.384 0.01 . 1 . . . . 96 G HN . 7417 1 229 . 1 1 96 96 GLY C C 13 174.027 0.2 . 1 . . . . 96 G C . 7417 1 230 . 1 1 96 96 GLY CA C 13 45.822 0.2 . 1 . . . . 96 G CA . 7417 1 231 . 1 1 96 96 GLY N N 15 108.855 0.2 . 1 . . . . 96 G N . 7417 1 232 . 1 1 97 97 ASN H H 1 7.984 0.01 . 1 . . . . 97 N HN . 7417 1 233 . 1 1 97 97 ASN C C 13 175.027 0.2 . 1 . . . . 97 N C . 7417 1 234 . 1 1 97 97 ASN CA C 13 51.572 0.2 . 1 . . . . 97 N CA . 7417 1 235 . 1 1 97 97 ASN CB C 13 37.023 0.2 . 1 . . . . 97 N CB . 7417 1 236 . 1 1 97 97 ASN N N 15 119.442 0.2 . 1 . . . . 97 N N . 7417 1 237 . 1 1 98 98 GLY H H 1 10.317 0.01 . 1 . . . . 98 G HN . 7417 1 238 . 1 1 98 98 GLY C C 13 171.627 0.2 . 1 . . . . 98 G C . 7417 1 239 . 1 1 98 98 GLY CA C 13 43.707 0.2 . 1 . . . . 98 G CA . 7417 1 240 . 1 1 98 98 GLY N N 15 112.547 0.2 . 1 . . . . 98 G N . 7417 1 241 . 1 1 99 99 TYR H H 1 7.33 0.01 . 1 . . . . 99 Y HN . 7417 1 242 . 1 1 99 99 TYR C C 13 173.627 0.2 . 1 . . . . 99 Y C . 7417 1 243 . 1 1 99 99 TYR CA C 13 55.06 0.2 . 1 . . . . 99 Y CA . 7417 1 244 . 1 1 99 99 TYR CB C 13 41.559 0.2 . 1 . . . . 99 Y CB . 7417 1 245 . 1 1 99 99 TYR N N 15 115.904 0.2 . 1 . . . . 99 Y N . 7417 1 246 . 1 1 100 100 ILE H H 1 9.871 0.01 . 1 . . . . 100 I HN . 7417 1 247 . 1 1 100 100 ILE C C 13 174.427 0.2 . 1 . . . . 100 I C . 7417 1 248 . 1 1 100 100 ILE CA C 13 60.088 0.2 . 1 . . . . 100 I CA . 7417 1 249 . 1 1 100 100 ILE CB C 13 37.806 0.2 . 1 . . . . 100 I CB . 7417 1 250 . 1 1 100 100 ILE N N 15 127.155 0.2 . 1 . . . . 100 I N . 7417 1 251 . 1 1 101 101 SER H H 1 8.591 0.01 . 1 . . . . 101 S HN . 7417 1 252 . 1 1 101 101 SER C C 13 174.227 0.2 . 1 . . . . 101 S C . 7417 1 253 . 1 1 101 101 SER CA C 13 54.775 0.2 . 1 . . . . 101 S CA . 7417 1 254 . 1 1 101 101 SER CB C 13 65.89 0.2 . 1 . . . . 101 S CB . 7417 1 255 . 1 1 101 101 SER N N 15 123.759 0.2 . 1 . . . . 101 S N . 7417 1 256 . 1 1 102 102 ALA H H 1 9.016 0.01 . 1 . . . . 102 A HN . 7417 1 257 . 1 1 102 102 ALA C C 13 178.227 0.2 . 1 . . . . 102 A C . 7417 1 258 . 1 1 102 102 ALA CA C 13 54.903 0.2 . 1 . . . . 102 A CA . 7417 1 259 . 1 1 102 102 ALA CB C 13 16.907 0.2 . 1 . . . . 102 A CB . 7417 1 260 . 1 1 102 102 ALA N N 15 122.646 0.2 . 1 . . . . 102 A N . 7417 1 261 . 1 1 103 103 ALA H H 1 7.942 0.01 . 1 . . . . 103 A HN . 7417 1 262 . 1 1 103 103 ALA C C 13 180.427 0.2 . 1 . . . . 103 A C . 7417 1 263 . 1 1 103 103 ALA CA C 13 53.984 0.2 . 1 . . . . 103 A CA . 7417 1 264 . 1 1 103 103 ALA CB C 13 17.252 0.2 . 1 . . . . 103 A CB . 7417 1 265 . 1 1 103 103 ALA N N 15 118.262 0.2 . 1 . . . . 103 A N . 7417 1 266 . 1 1 104 104 GLU H H 1 7.531 0.01 . 1 . . . . 104 E HN . 7417 1 267 . 1 1 104 104 GLU C C 13 178.327 0.2 . 1 . . . . 104 E C . 7417 1 268 . 1 1 104 104 GLU CA C 13 58.149 0.2 . 1 . . . . 104 E CA . 7417 1 269 . 1 1 104 104 GLU CB C 13 27.904 0.2 . 1 . . . . 104 E CB . 7417 1 270 . 1 1 104 104 GLU N N 15 120.372 0.2 . 1 . . . . 104 E N . 7417 1 271 . 1 1 105 105 LEU H H 1 8.215 0.01 . 1 . . . . 105 L HN . 7417 1 272 . 1 1 105 105 LEU C C 13 177.527 0.2 . 1 . . . . 105 L C . 7417 1 273 . 1 1 105 105 LEU CA C 13 56.622 0.2 . 1 . . . . 105 L CA . 7417 1 274 . 1 1 105 105 LEU CB C 13 41.406 0.2 . 1 . . . . 105 L CB . 7417 1 275 . 1 1 105 105 LEU N N 15 121.307 0.2 . 1 . . . . 105 L N . 7417 1 276 . 1 1 107 107 HIS H H 1 7.371 0.01 . 1 . . . . 107 H HN . 7417 1 277 . 1 1 107 107 HIS C C 13 175.627 0.2 . 1 . . . . 107 H C . 7417 1 278 . 1 1 107 107 HIS CA C 13 58.813 0.2 . 1 . . . . 107 H CA . 7417 1 279 . 1 1 107 107 HIS CB C 13 29.521 0.2 . 1 . . . . 107 H CB . 7417 1 280 . 1 1 107 107 HIS N N 15 119.086 0.2 . 1 . . . . 107 H N . 7417 1 281 . 1 1 108 108 VAL H H 1 7.083 0.01 . 1 . . . . 108 V HN . 7417 1 282 . 1 1 108 108 VAL C C 13 175.827 0.2 . 1 . . . . 108 V C . 7417 1 283 . 1 1 108 108 VAL CA C 13 65.252 0.2 . 1 . . . . 108 V CA . 7417 1 284 . 1 1 108 108 VAL CB C 13 30.034 0.2 . 1 . . . . 108 V CB . 7417 1 285 . 1 1 108 108 VAL N N 15 117.76 0.2 . 1 . . . . 108 V N . 7417 1 286 . 1 1 109 109 MET H H 1 7.511 0.01 . 1 . . . . 109 M HN . 7417 1 287 . 1 1 109 109 MET C C 13 177.327 0.2 . 1 . . . . 109 M C . 7417 1 288 . 1 1 109 109 MET CA C 13 55.563 0.2 . 1 . . . . 109 M CA . 7417 1 289 . 1 1 109 109 MET CB C 13 28.395 0.2 . 1 . . . . 109 M CB . 7417 1 290 . 1 1 109 109 MET N N 15 114.113 0.2 . 1 . . . . 109 M N . 7417 1 291 . 1 1 110 110 THR H H 1 7.729 0.01 . 1 . . . . 110 T HN . 7417 1 292 . 1 1 110 110 THR C C 13 176.727 0.2 . 1 . . . . 110 T C . 7417 1 293 . 1 1 110 110 THR CA C 13 64.905 0.2 . 1 . . . . 110 T CA . 7417 1 294 . 1 1 110 110 THR CB C 13 67.219 0.2 . 1 . . . . 110 T CB . 7417 1 295 . 1 1 110 110 THR N N 15 114.497 0.2 . 1 . . . . 110 T N . 7417 1 296 . 1 1 111 111 ASN H H 1 7.005 0.01 . 1 . . . . 111 N HN . 7417 1 297 . 1 1 111 111 ASN C C 13 174.427 0.2 . 1 . . . . 111 N C . 7417 1 298 . 1 1 111 111 ASN CA C 13 54.05 0.2 . 1 . . . . 111 N CA . 7417 1 299 . 1 1 111 111 ASN CB C 13 35.126 0.2 . 1 . . . . 111 N CB . 7417 1 300 . 1 1 111 111 ASN N N 15 122.165 0.2 . 1 . . . . 111 N N . 7417 1 301 . 1 1 112 112 LEU H H 1 6.594 0.01 . 1 . . . . 112 L HN . 7417 1 302 . 1 1 112 112 LEU C C 13 174.127 0.2 . 1 . . . . 112 L C . 7417 1 303 . 1 1 112 112 LEU CA C 13 53.499 0.2 . 1 . . . . 112 L CA . 7417 1 304 . 1 1 112 112 LEU CB C 13 40.024 0.2 . 1 . . . . 112 L CB . 7417 1 305 . 1 1 112 112 LEU N N 15 116.171 0.2 . 1 . . . . 112 L N . 7417 1 306 . 1 1 113 113 GLY H H 1 6.382 0.01 . 1 . . . . 113 G HN . 7417 1 307 . 1 1 113 113 GLY C C 13 172.627 0.2 . 1 . . . . 113 G C . 7417 1 308 . 1 1 113 113 GLY CA C 13 42.83 0.2 . 1 . . . . 113 G CA . 7417 1 309 . 1 1 113 113 GLY N N 15 102.765 0.2 . 1 . . . . 113 G N . 7417 1 310 . 1 1 114 114 GLU H H 1 6.98 0.01 . 1 . . . . 114 E HN . 7417 1 311 . 1 1 114 114 GLU C C 13 173.227 0.2 . 1 . . . . 114 E C . 7417 1 312 . 1 1 114 114 GLU CA C 13 53.645 0.2 . 1 . . . . 114 E CA . 7417 1 313 . 1 1 114 114 GLU CB C 13 28.935 0.2 . 1 . . . . 114 E CB . 7417 1 314 . 1 1 114 114 GLU N N 15 121.8 0.2 . 1 . . . . 114 E N . 7417 1 315 . 1 1 115 115 LYS H H 1 7.86 0.01 . 1 . . . . 115 K HN . 7417 1 316 . 1 1 115 115 LYS C C 13 174.327 0.2 . 1 . . . . 115 K C . 7417 1 317 . 1 1 115 115 LYS CA C 13 54.494 0.2 . 1 . . . . 115 K CA . 7417 1 318 . 1 1 115 115 LYS CB C 13 30.211 0.2 . 1 . . . . 115 K CB . 7417 1 319 . 1 1 115 115 LYS N N 15 125.184 0.2 . 1 . . . . 115 K N . 7417 1 320 . 1 1 116 116 LEU H H 1 7.57 0.01 . 1 . . . . 116 L HN . 7417 1 321 . 1 1 116 116 LEU C C 13 176.827 0.2 . 1 . . . . 116 L C . 7417 1 322 . 1 1 116 116 LEU CA C 13 53.012 0.2 . 1 . . . . 116 L CA . 7417 1 323 . 1 1 116 116 LEU CB C 13 42.947 0.2 . 1 . . . . 116 L CB . 7417 1 324 . 1 1 116 116 LEU N N 15 124.905 0.2 . 1 . . . . 116 L N . 7417 1 325 . 1 1 117 117 THR H H 1 9.015 0.01 . 1 . . . . 117 T HN . 7417 1 326 . 1 1 117 117 THR C C 13 174.527 0.2 . 1 . . . . 117 T C . 7417 1 327 . 1 1 117 117 THR CA C 13 59.647 0.2 . 1 . . . . 117 T CA . 7417 1 328 . 1 1 117 117 THR CB C 13 70.382 0.2 . 1 . . . . 117 T CB . 7417 1 329 . 1 1 117 117 THR N N 15 114.373 0.2 . 1 . . . . 117 T N . 7417 1 330 . 1 1 118 118 ASP H H 1 8.702 0.01 . 1 . . . . 118 D HN . 7417 1 331 . 1 1 118 118 ASP C C 13 177.827 0.2 . 1 . . . . 118 D C . 7417 1 332 . 1 1 118 118 ASP CA C 13 57.118 0.2 . 1 . . . . 118 D CA . 7417 1 333 . 1 1 118 118 ASP CB C 13 38.406 0.2 . 1 . . . . 118 D CB . 7417 1 334 . 1 1 118 118 ASP N N 15 120.805 0.2 . 1 . . . . 118 D N . 7417 1 335 . 1 1 119 119 GLU H H 1 8.44 0.01 . 1 . . . . 119 E HN . 7417 1 336 . 1 1 119 119 GLU C C 13 178.227 0.2 . 1 . . . . 119 E C . 7417 1 337 . 1 1 119 119 GLU CA C 13 59.141 0.2 . 1 . . . . 119 E CA . 7417 1 338 . 1 1 119 119 GLU CB C 13 27.899 0.2 . 1 . . . . 119 E CB . 7417 1 339 . 1 1 119 119 GLU N N 15 119.469 0.2 . 1 . . . . 119 E N . 7417 1 340 . 1 1 120 120 GLU H H 1 7.529 0.01 . 1 . . . . 120 E HN . 7417 1 341 . 1 1 120 120 GLU C C 13 179.227 0.2 . 1 . . . . 120 E C . 7417 1 342 . 1 1 120 120 GLU CA C 13 58.079 0.2 . 1 . . . . 120 E CA . 7417 1 343 . 1 1 120 120 GLU CB C 13 29.605 0.2 . 1 . . . . 120 E CB . 7417 1 344 . 1 1 120 120 GLU N N 15 120.087 0.2 . 1 . . . . 120 E N . 7417 1 345 . 1 1 121 121 VAL H H 1 7.83 0.01 . 1 . . . . 121 V HN . 7417 1 346 . 1 1 121 121 VAL C C 13 176.427 0.2 . 1 . . . . 121 V C . 7417 1 347 . 1 1 121 121 VAL CA C 13 66.104 0.2 . 1 . . . . 121 V CA . 7417 1 348 . 1 1 121 121 VAL CB C 13 30.106 0.2 . 1 . . . . 121 V CB . 7417 1 349 . 1 1 121 121 VAL N N 15 121.981 0.2 . 1 . . . . 121 V N . 7417 1 350 . 1 1 122 122 ASP H H 1 7.732 0.01 . 1 . . . . 122 D HN . 7417 1 351 . 1 1 122 122 ASP C C 13 178.027 0.2 . 1 . . . . 122 D C . 7417 1 352 . 1 1 122 122 ASP CA C 13 56.79 0.2 . 1 . . . . 122 D CA . 7417 1 353 . 1 1 122 122 ASP CB C 13 39.534 0.2 . 1 . . . . 122 D CB . 7417 1 354 . 1 1 122 122 ASP N N 15 119.735 0.2 . 1 . . . . 122 D N . 7417 1 355 . 1 1 123 123 GLU H H 1 7.999 0.01 . 1 . . . . 123 E HN . 7417 1 356 . 1 1 123 123 GLU C C 13 177.927 0.2 . 1 . . . . 123 E C . 7417 1 357 . 1 1 123 123 GLU CA C 13 58.388 0.2 . 1 . . . . 123 E CA . 7417 1 358 . 1 1 123 123 GLU CB C 13 28.686 0.2 . 1 . . . . 123 E CB . 7417 1 359 . 1 1 123 123 GLU N N 15 119.64 0.2 . 1 . . . . 123 E N . 7417 1 360 . 1 1 124 124 MET H H 1 7.475 0.01 . 1 . . . . 124 M HN . 7417 1 361 . 1 1 124 124 MET C C 13 179.427 0.2 . 1 . . . . 124 M C . 7417 1 362 . 1 1 124 124 MET CA C 13 59.236 0.2 . 1 . . . . 124 M CA . 7417 1 363 . 1 1 124 124 MET N N 15 119.281 0.2 . 1 . . . . 124 M N . 7417 1 364 . 1 1 125 125 ILE H H 1 7.952 0.01 . 1 . . . . 125 I HN . 7417 1 365 . 1 1 125 125 ILE C C 13 176.927 0.2 . 1 . . . . 125 I C . 7417 1 366 . 1 1 125 125 ILE CA C 13 63.01 0.2 . 1 . . . . 125 I CA . 7417 1 367 . 1 1 125 125 ILE CB C 13 34.965 0.2 . 1 . . . . 125 I CB . 7417 1 368 . 1 1 125 125 ILE N N 15 120.3 0.2 . 1 . . . . 125 I N . 7417 1 369 . 1 1 126 126 ARG H H 1 8.377 0.01 . 1 . . . . 126 R HN . 7417 1 370 . 1 1 126 126 ARG C C 13 178.027 0.2 . 1 . . . . 126 R C . 7417 1 371 . 1 1 126 126 ARG CA C 13 58.852 0.2 . 1 . . . . 126 R CA . 7417 1 372 . 1 1 126 126 ARG CB C 13 28.978 0.2 . 1 . . . . 126 R CB . 7417 1 373 . 1 1 126 126 ARG N N 15 118.188 0.2 . 1 . . . . 126 R N . 7417 1 374 . 1 1 127 127 GLU H H 1 7.779 0.01 . 1 . . . . 127 E HN . 7417 1 375 . 1 1 127 127 GLU C C 13 176.127 0.2 . 1 . . . . 127 E C . 7417 1 376 . 1 1 127 127 GLU CA C 13 58.048 0.2 . 1 . . . . 127 E CA . 7417 1 377 . 1 1 127 127 GLU CB C 13 29.199 0.2 . 1 . . . . 127 E CB . 7417 1 378 . 1 1 127 127 GLU N N 15 116.714 0.2 . 1 . . . . 127 E N . 7417 1 379 . 1 1 128 128 ALA H H 1 6.938 0.01 . 1 . . . . 128 A HN . 7417 1 380 . 1 1 128 128 ALA C C 13 176.727 0.2 . 1 . . . . 128 A C . 7417 1 381 . 1 1 128 128 ALA CA C 13 50.513 0.2 . 1 . . . . 128 A CA . 7417 1 382 . 1 1 128 128 ALA CB C 13 20.749 0.2 . 1 . . . . 128 A CB . 7417 1 383 . 1 1 128 128 ALA N N 15 117.11 0.2 . 1 . . . . 128 A N . 7417 1 384 . 1 1 129 129 ASP H H 1 7.887 0.01 . 1 . . . . 129 D HN . 7417 1 385 . 1 1 129 129 ASP C C 13 174.927 0.2 . 1 . . . . 129 D C . 7417 1 386 . 1 1 129 129 ASP CA C 13 53.579 0.2 . 1 . . . . 129 D CA . 7417 1 387 . 1 1 129 129 ASP CB C 13 39.835 0.2 . 1 . . . . 129 D CB . 7417 1 388 . 1 1 129 129 ASP N N 15 117.776 0.2 . 1 . . . . 129 D N . 7417 1 389 . 1 1 130 130 ILE H H 1 8.077 0.01 . 1 . . . . 130 I HN . 7417 1 390 . 1 1 130 130 ILE C C 13 177.027 0.2 . 1 . . . . 130 I C . 7417 1 391 . 1 1 130 130 ILE CA C 13 62.753 0.2 . 1 . . . . 130 I CA . 7417 1 392 . 1 1 130 130 ILE CB C 13 37.941 0.2 . 1 . . . . 130 I CB . 7417 1 393 . 1 1 130 130 ILE N N 15 128.15 0.2 . 1 . . . . 130 I N . 7417 1 394 . 1 1 131 131 ASP H H 1 8.155 0.01 . 1 . . . . 131 D HN . 7417 1 395 . 1 1 131 131 ASP C C 13 177.327 0.2 . 1 . . . . 131 D C . 7417 1 396 . 1 1 131 131 ASP CA C 13 53.031 0.2 . 1 . . . . 131 D CA . 7417 1 397 . 1 1 131 131 ASP CB C 13 38.9 0.2 . 1 . . . . 131 D CB . 7417 1 398 . 1 1 131 131 ASP N N 15 116.411 0.2 . 1 . . . . 131 D N . 7417 1 399 . 1 1 132 132 GLY H H 1 7.449 0.01 . 1 . . . . 132 G HN . 7417 1 400 . 1 1 132 132 GLY C C 13 174.427 0.2 . 1 . . . . 132 G C . 7417 1 401 . 1 1 132 132 GLY CA C 13 46.442 0.2 . 1 . . . . 132 G CA . 7417 1 402 . 1 1 132 132 GLY N N 15 108.359 0.2 . 1 . . . . 132 G N . 7417 1 403 . 1 1 133 133 ASP H H 1 8.174 0.01 . 1 . . . . 133 D HN . 7417 1 404 . 1 1 133 133 ASP C C 13 176.627 0.2 . 1 . . . . 133 D C . 7417 1 405 . 1 1 133 133 ASP CA C 13 52.731 0.2 . 1 . . . . 133 D CA . 7417 1 406 . 1 1 133 133 ASP CB C 13 39.29 0.2 . 1 . . . . 133 D CB . 7417 1 407 . 1 1 133 133 ASP N N 15 120.653 0.2 . 1 . . . . 133 D N . 7417 1 408 . 1 1 134 134 GLY H H 1 10.099 0.01 . 1 . . . . 134 G HN . 7417 1 409 . 1 1 134 134 GLY C C 13 171.827 0.2 . 1 . . . . 134 G C . 7417 1 410 . 1 1 134 134 GLY CA C 13 44.861 0.2 . 1 . . . . 134 G CA . 7417 1 411 . 1 1 134 134 GLY N N 15 112.585 0.2 . 1 . . . . 134 G N . 7417 1 412 . 1 1 135 135 GLN H H 1 7.756 0.01 . 1 . . . . 135 Q HN . 7417 1 413 . 1 1 135 135 GLN C C 13 173.927 0.2 . 1 . . . . 135 Q C . 7417 1 414 . 1 1 135 135 GLN CA C 13 52.24 0.2 . 1 . . . . 135 Q CA . 7417 1 415 . 1 1 135 135 GLN CB C 13 31.07 0.2 . 1 . . . . 135 Q CB . 7417 1 416 . 1 1 135 135 GLN N N 15 114.855 0.2 . 1 . . . . 135 Q N . 7417 1 417 . 1 1 136 136 VAL H H 1 8.8 0.01 . 1 . . . . 136 V HN . 7417 1 418 . 1 1 136 136 VAL C C 13 174.827 0.2 . 1 . . . . 136 V C . 7417 1 419 . 1 1 136 136 VAL CA C 13 60.64 0.2 . 1 . . . . 136 V CA . 7417 1 420 . 1 1 136 136 VAL CB C 13 32.935 0.2 . 1 . . . . 136 V CB . 7417 1 421 . 1 1 136 136 VAL N N 15 125.263 0.2 . 1 . . . . 136 V N . 7417 1 422 . 1 1 137 137 ASN H H 1 9.253 0.01 . 1 . . . . 137 N HN . 7417 1 423 . 1 1 137 137 ASN C C 13 173.627 0.2 . 1 . . . . 137 N C . 7417 1 424 . 1 1 137 137 ASN CA C 13 49.834 0.2 . 1 . . . . 137 N CA . 7417 1 425 . 1 1 137 137 ASN CB C 13 37.086 0.2 . 1 . . . . 137 N CB . 7417 1 426 . 1 1 137 137 ASN N N 15 129.047 0.2 . 1 . . . . 137 N N . 7417 1 427 . 1 1 138 138 TYR H H 1 7.977 0.01 . 1 . . . . 138 Y HN . 7417 1 428 . 1 1 138 138 TYR C C 13 175.027 0.2 . 1 . . . . 138 Y C . 7417 1 429 . 1 1 138 138 TYR CA C 13 61.26 0.2 . 1 . . . . 138 Y CA . 7417 1 430 . 1 1 138 138 TYR CB C 13 36.841 0.2 . 1 . . . . 138 Y CB . 7417 1 431 . 1 1 138 138 TYR N N 15 118.091 0.2 . 1 . . . . 138 Y N . 7417 1 432 . 1 1 139 139 GLU H H 1 7.842 0.01 . 1 . . . . 139 E HN . 7417 1 433 . 1 1 139 139 GLU C C 13 179.227 0.2 . 1 . . . . 139 E C . 7417 1 434 . 1 1 139 139 GLU CA C 13 59.235 0.2 . 1 . . . . 139 E CA . 7417 1 435 . 1 1 139 139 GLU CB C 13 27.564 0.2 . 1 . . . . 139 E CB . 7417 1 436 . 1 1 139 139 GLU N N 15 118.221 0.2 . 1 . . . . 139 E N . 7417 1 437 . 1 1 140 140 GLU H H 1 8.47 0.01 . 1 . . . . 140 E HN . 7417 1 438 . 1 1 140 140 GLU C C 13 178.327 0.2 . 1 . . . . 140 E C . 7417 1 439 . 1 1 140 140 GLU CA C 13 57.636 0.2 . 1 . . . . 140 E CA . 7417 1 440 . 1 1 140 140 GLU CB C 13 28.113 0.2 . 1 . . . . 140 E CB . 7417 1 441 . 1 1 140 140 GLU N N 15 119.746 0.2 . 1 . . . . 140 E N . 7417 1 442 . 1 1 141 141 PHE H H 1 8.165 0.01 . 1 . . . . 141 F HN . 7417 1 443 . 1 1 141 141 PHE C C 13 175.627 0.2 . 1 . . . . 141 F C . 7417 1 444 . 1 1 141 141 PHE CA C 13 60.805 0.2 . 1 . . . . 141 F CA . 7417 1 445 . 1 1 141 141 PHE CB C 13 38.916 0.2 . 1 . . . . 141 F CB . 7417 1 446 . 1 1 141 141 PHE N N 15 123.896 0.2 . 1 . . . . 141 F N . 7417 1 447 . 1 1 142 142 VAL H H 1 8.425 0.01 . 1 . . . . 142 V HN . 7417 1 448 . 1 1 142 142 VAL C C 13 178.627 0.2 . 1 . . . . 142 V C . 7417 1 449 . 1 1 142 142 VAL CA C 13 66.052 0.2 . 1 . . . . 142 V CA . 7417 1 450 . 1 1 142 142 VAL CB C 13 30.518 0.2 . 1 . . . . 142 V CB . 7417 1 451 . 1 1 142 142 VAL N N 15 118.979 0.2 . 1 . . . . 142 V N . 7417 1 452 . 1 1 143 143 GLN H H 1 7.512 0.01 . 1 . . . . 143 Q HN . 7417 1 453 . 1 1 143 143 GLN C C 13 177.127 0.2 . 1 . . . . 143 Q C . 7417 1 454 . 1 1 143 143 GLN CA C 13 58.006 0.2 . 1 . . . . 143 Q CA . 7417 1 455 . 1 1 143 143 GLN CB C 13 26.975 0.2 . 1 . . . . 143 Q CB . 7417 1 456 . 1 1 143 143 GLN N N 15 118.362 0.2 . 1 . . . . 143 Q N . 7417 1 457 . 1 1 144 144 MET H H 1 7.109 0.01 . 1 . . . . 144 M HN . 7417 1 458 . 1 1 144 144 MET C C 13 176.627 0.2 . 1 . . . . 144 M C . 7417 1 459 . 1 1 144 144 MET CA C 13 55.694 0.2 . 1 . . . . 144 M CA . 7417 1 460 . 1 1 144 144 MET CB C 13 30.753 0.2 . 1 . . . . 144 M CB . 7417 1 461 . 1 1 144 144 MET N N 15 116.301 0.2 . 1 . . . . 144 M N . 7417 1 462 . 1 1 145 145 MET H H 1 7.27 0.01 . 1 . . . . 145 M HN . 7417 1 463 . 1 1 145 145 MET C C 13 176.627 0.2 . 1 . . . . 145 M C . 7417 1 464 . 1 1 145 145 MET CA C 13 54.269 0.2 . 1 . . . . 145 M CA . 7417 1 465 . 1 1 145 145 MET CB C 13 29.471 0.2 . 1 . . . . 145 M CB . 7417 1 466 . 1 1 145 145 MET N N 15 113.26 0.2 . 1 . . . . 145 M N . 7417 1 467 . 1 1 146 146 THR H H 1 7.396 0.01 . 1 . . . . 146 T HN . 7417 1 468 . 1 1 146 146 THR C C 13 173.527 0.2 . 1 . . . . 146 T C . 7417 1 469 . 1 1 146 146 THR CA C 13 61.079 0.2 . 1 . . . . 146 T CA . 7417 1 470 . 1 1 146 146 THR CB C 13 69.528 0.2 . 1 . . . . 146 T CB . 7417 1 471 . 1 1 146 146 THR N N 15 109.071 0.2 . 1 . . . . 146 T N . 7417 1 472 . 1 1 147 147 ALA H H 1 7.371 0.01 . 1 . . . . 147 A HN . 7417 1 473 . 1 1 147 147 ALA C C 13 176.227 0.2 . 1 . . . . 147 A C . 7417 1 474 . 1 1 147 147 ALA CA C 13 51.981 0.2 . 1 . . . . 147 A CA . 7417 1 475 . 1 1 147 147 ALA CB C 13 17.998 0.2 . 1 . . . . 147 A CB . 7417 1 476 . 1 1 147 147 ALA N N 15 126.633 0.2 . 1 . . . . 147 A N . 7417 1 477 . 1 1 148 148 LYS H H 1 8.073 0.01 . 1 . . . . 148 K HN . 7417 1 478 . 1 1 148 148 LYS C C 13 176.227 0.2 . 1 . . . . 148 K C . 7417 1 479 . 1 1 148 148 LYS CA C 13 56.947 0.2 . 1 . . . . 148 K CA . 7417 1 480 . 1 1 148 148 LYS CB C 13 32.579 0.2 . 1 . . . . 148 K CB . 7417 1 481 . 1 1 148 148 LYS N N 15 126.904 0.2 . 1 . . . . 148 K N . 7417 1 stop_ save_