################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50861 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Tim10 _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 $chem_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' . . . 50861 1 2 '3D HNCO' . . . 50861 1 3 '3D HNCA' . . . 50861 1 4 '3D HN(CO)CA' . . . 50861 1 5 '3D HN(CA)CO' . . . 50861 1 6 '3D HN(COCA)CB' . . . 50861 1 7 '3D HNCACB' . . . 50861 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 $software_1 . . 50861 1 2 $software_2 . . 50861 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 LEU H H 1 8.214 . . . . . . . . 4 L HN . 50861 1 2 . 1 . 1 4 4 LEU C C 13 177.197 . . . . . . . . 4 L C . 50861 1 3 . 1 . 1 4 4 LEU CA C 13 54.759 . . . . . . . . 4 L CA . 50861 1 4 . 1 . 1 4 4 LEU CB C 13 41.303 . . . . . . . . 4 L CB . 50861 1 5 . 1 . 1 4 4 LEU N N 15 124.017 . . . . . . . . 4 L N . 50861 1 6 . 1 . 1 5 5 GLY H H 1 7.581 . . . . . . . . 5 G HN . 50861 1 7 . 1 . 1 5 5 GLY C C 13 173.727 . . . . . . . . 5 G C . 50861 1 8 . 1 . 1 5 5 GLY CA C 13 44.789 . . . . . . . . 5 G CA . 50861 1 9 . 1 . 1 5 5 GLY N N 15 107.824 . . . . . . . . 5 G N . 50861 1 10 . 1 . 1 6 6 PHE H H 1 8.083 . . . . . . . . 6 F HN . 50861 1 11 . 1 . 1 6 6 PHE C C 13 176.470 . . . . . . . . 6 F C . 50861 1 12 . 1 . 1 6 6 PHE CA C 13 57.421 . . . . . . . . 6 F CA . 50861 1 13 . 1 . 1 6 6 PHE CB C 13 38.800 . . . . . . . . 6 F CB . 50861 1 14 . 1 . 1 6 6 PHE N N 15 119.697 . . . . . . . . 6 F N . 50861 1 15 . 1 . 1 7 7 GLY H H 1 8.423 . . . . . . . . 7 G HN . 50861 1 16 . 1 . 1 7 7 GLY C C 13 174.655 . . . . . . . . 7 G C . 50861 1 17 . 1 . 1 7 7 GLY CA C 13 45.038 . . . . . . . . 7 G CA . 50861 1 18 . 1 . 1 7 7 GLY N N 15 110.706 . . . . . . . . 7 G N . 50861 1 19 . 1 . 1 8 8 GLY H H 1 7.998 . . . . . . . . 8 G HN . 50861 1 20 . 1 . 1 8 8 GLY C C 13 174.607 . . . . . . . . 8 G C . 50861 1 21 . 1 . 1 8 8 GLY CA C 13 44.951 . . . . . . . . 8 G CA . 50861 1 22 . 1 . 1 8 8 GLY N N 15 108.240 . . . . . . . . 8 G N . 50861 1 23 . 1 . 1 9 9 GLY H H 1 8.207 . . . . . . . . 9 G HN . 50861 1 24 . 1 . 1 9 9 GLY C C 13 173.754 . . . . . . . . 9 G C . 50861 1 25 . 1 . 1 9 9 GLY CA C 13 44.657 . . . . . . . . 9 G CA . 50861 1 26 . 1 . 1 9 9 GLY N N 15 108.338 . . . . . . . . 9 G N . 50861 1 27 . 1 . 1 10 10 GLN H H 1 8.142 . . . . . . . . 10 Q HN . 50861 1 28 . 1 . 1 10 10 GLN C C 13 174.192 . . . . . . . . 10 Q C . 50861 1 29 . 1 . 1 10 10 GLN CA C 13 53.197 . . . . . . . . 10 Q CA . 50861 1 30 . 1 . 1 10 10 GLN N N 15 120.285 . . . . . . . . 10 Q N . 50861 1 31 . 1 . 1 12 12 GLN H H 1 8.420 . . . . . . . . 12 Q HN . 50861 1 32 . 1 . 1 12 12 GLN C C 13 175.983 . . . . . . . . 12 Q C . 50861 1 33 . 1 . 1 12 12 GLN CA C 13 55.264 . . . . . . . . 12 Q CA . 50861 1 34 . 1 . 1 12 12 GLN CB C 13 28.495 . . . . . . . . 12 Q CB . 50861 1 35 . 1 . 1 12 12 GLN N N 15 120.027 . . . . . . . . 12 Q N . 50861 1 36 . 1 . 1 13 13 LEU H H 1 8.203 . . . . . . . . 13 L HN . 50861 1 37 . 1 . 1 13 13 LEU C C 13 177.577 . . . . . . . . 13 L C . 50861 1 38 . 1 . 1 13 13 LEU CA C 13 54.843 . . . . . . . . 13 L CA . 50861 1 39 . 1 . 1 13 13 LEU CB C 13 41.564 . . . . . . . . 13 L CB . 50861 1 40 . 1 . 1 13 13 LEU N N 15 123.114 . . . . . . . . 13 L N . 50861 1 41 . 1 . 1 14 14 SER H H 1 8.343 . . . . . . . . 14 S HN . 50861 1 42 . 1 . 1 14 14 SER C C 13 174.940 . . . . . . . . 14 S C . 50861 1 43 . 1 . 1 14 14 SER CA C 13 58.097 . . . . . . . . 14 S CA . 50861 1 44 . 1 . 1 14 14 SER CB C 13 63.345 . . . . . . . . 14 S CB . 50861 1 45 . 1 . 1 14 14 SER N N 15 116.130 . . . . . . . . 14 S N . 50861 1 46 . 1 . 1 15 15 SER H H 1 8.321 . . . . . . . . 15 S HN . 50861 1 47 . 1 . 1 15 15 SER N N 15 116.934 . . . . . . . . 15 S N . 50861 1 48 . 1 . 1 16 16 GLN H H 1 8.222 . . . . . . . . 16 Q HN . 50861 1 49 . 1 . 1 16 16 GLN C C 13 176.417 . . . . . . . . 16 Q C . 50861 1 50 . 1 . 1 16 16 GLN CB C 13 28.341 . . . . . . . . 16 Q CB . 50861 1 51 . 1 . 1 16 16 GLN N N 15 120.012 . . . . . . . . 16 Q N . 50861 1 52 . 1 . 1 17 17 GLN H H 1 8.121 . . . . . . . . 17 Q HN . 50861 1 53 . 1 . 1 17 17 GLN C C 13 176.886 . . . . . . . . 17 Q C . 50861 1 54 . 1 . 1 17 17 GLN CA C 13 56.365 . . . . . . . . 17 Q CA . 50861 1 55 . 1 . 1 17 17 GLN N N 15 120.948 . . . . . . . . 17 Q N . 50861 1 56 . 1 . 1 18 18 LYS H H 1 8.205 . . . . . . . . 18 K HN . 50861 1 57 . 1 . 1 18 18 LYS CA C 13 56.501 . . . . . . . . 18 K CA . 50861 1 58 . 1 . 1 18 18 LYS CB C 13 32.018 . . . . . . . . 18 K CB . 50861 1 59 . 1 . 1 18 18 LYS N N 15 121.834 . . . . . . . . 18 K N . 50861 1 60 . 1 . 1 19 19 ILE H H 1 8.053 . . . . . . . . 19 I HN . 50861 1 61 . 1 . 1 19 19 ILE C C 13 176.459 . . . . . . . . 19 I C . 50861 1 62 . 1 . 1 19 19 ILE CA C 13 61.329 . . . . . . . . 19 I CA . 50861 1 63 . 1 . 1 19 19 ILE N N 15 121.628 . . . . . . . . 19 I N . 50861 1 64 . 1 . 1 20 20 GLN H H 1 8.310 . . . . . . . . 20 Q HN . 50861 1 65 . 1 . 1 20 20 GLN C C 13 176.081 . . . . . . . . 20 Q C . 50861 1 66 . 1 . 1 20 20 GLN CA C 13 55.873 . . . . . . . . 20 Q CA . 50861 1 67 . 1 . 1 20 20 GLN CB C 13 28.494 . . . . . . . . 20 Q CB . 50861 1 68 . 1 . 1 20 20 GLN N N 15 123.267 . . . . . . . . 20 Q N . 50861 1 69 . 1 . 1 21 21 ALA H H 1 8.223 . . . . . . . . 21 A HN . 50861 1 70 . 1 . 1 21 21 ALA C C 13 177.777 . . . . . . . . 21 A C . 50861 1 71 . 1 . 1 21 21 ALA CA C 13 52.529 . . . . . . . . 21 A CA . 50861 1 72 . 1 . 1 21 21 ALA CB C 13 18.315 . . . . . . . . 21 A CB . 50861 1 73 . 1 . 1 21 21 ALA N N 15 124.641 . . . . . . . . 21 A N . 50861 1 74 . 1 . 1 22 22 ALA H H 1 8.203 . . . . . . . . 22 A HN . 50861 1 75 . 1 . 1 22 22 ALA C C 13 178.423 . . . . . . . . 22 A C . 50861 1 76 . 1 . 1 22 22 ALA CA C 13 52.693 . . . . . . . . 22 A CA . 50861 1 77 . 1 . 1 22 22 ALA CB C 13 18.168 . . . . . . . . 22 A CB . 50861 1 78 . 1 . 1 22 22 ALA N N 15 122.524 . . . . . . . . 22 A N . 50861 1 79 . 1 . 1 23 23 GLU H H 1 8.315 . . . . . . . . 23 E HN . 50861 1 80 . 1 . 1 23 23 GLU C C 13 176.970 . . . . . . . . 23 E C . 50861 1 81 . 1 . 1 23 23 GLU CA C 13 56.961 . . . . . . . . 23 E CA . 50861 1 82 . 1 . 1 23 23 GLU CB C 13 28.983 . . . . . . . . 23 E CB . 50861 1 83 . 1 . 1 23 23 GLU N N 15 119.135 . . . . . . . . 23 E N . 50861 1 84 . 1 . 1 24 24 ALA H H 1 8.102 . . . . . . . . 24 A HN . 50861 1 85 . 1 . 1 24 24 ALA C C 13 178.619 . . . . . . . . 24 A C . 50861 1 86 . 1 . 1 24 24 ALA CA C 13 52.726 . . . . . . . . 24 A CA . 50861 1 87 . 1 . 1 24 24 ALA CB C 13 18.110 . . . . . . . . 24 A CB . 50861 1 88 . 1 . 1 24 24 ALA N N 15 122.756 . . . . . . . . 24 A N . 50861 1 89 . 1 . 1 25 25 GLU H H 1 8.164 . . . . . . . . 25 E HN . 50861 1 90 . 1 . 1 25 25 GLU C C 13 177.197 . . . . . . . . 25 E C . 50861 1 91 . 1 . 1 25 25 GLU CA C 13 56.966 . . . . . . . . 25 E CA . 50861 1 92 . 1 . 1 25 25 GLU CB C 13 28.930 . . . . . . . . 25 E CB . 50861 1 93 . 1 . 1 25 25 GLU N N 15 119.062 . . . . . . . . 25 E N . 50861 1 94 . 1 . 1 26 26 LEU H H 1 7.945 . . . . . . . . 26 L HN . 50861 1 95 . 1 . 1 26 26 LEU C C 13 179.064 . . . . . . . . 26 L C . 50861 1 96 . 1 . 1 26 26 LEU N N 15 121.411 . . . . . . . . 26 L N . 50861 1 97 . 1 . 1 27 27 ASP H H 1 8.098 . . . . . . . . 27 D HN . 50861 1 98 . 1 . 1 27 27 ASP C C 13 177.567 . . . . . . . . 27 D C . 50861 1 99 . 1 . 1 27 27 ASP N N 15 118.893 . . . . . . . . 27 D N . 50861 1 100 . 1 . 1 28 28 LEU H H 1 8.153 . . . . . . . . 28 L HN . 50861 1 101 . 1 . 1 28 28 LEU N N 15 116.194 . . . . . . . . 28 L N . 50861 1 102 . 1 . 1 40 40 CYS H H 1 7.886 . . . . . . . . 40 C HN . 50861 1 103 . 1 . 1 40 40 CYS C C 13 175.959 . . . . . . . . 40 C C . 50861 1 104 . 1 . 1 40 40 CYS CA C 13 62.290 . . . . . . . . 40 C CA . 50861 1 105 . 1 . 1 40 40 CYS CB C 13 31.687 . . . . . . . . 40 C CB . 50861 1 106 . 1 . 1 40 40 CYS N N 15 119.503 . . . . . . . . 40 C N . 50861 1 107 . 1 . 1 41 41 TYR H H 1 8.307 . . . . . . . . 41 Y HN . 50861 1 108 . 1 . 1 41 41 TYR C C 13 175.992 . . . . . . . . 41 Y C . 50861 1 109 . 1 . 1 41 41 TYR CA C 13 55.433 . . . . . . . . 41 Y CA . 50861 1 110 . 1 . 1 41 41 TYR CB C 13 28.540 . . . . . . . . 41 Y CB . 50861 1 111 . 1 . 1 41 41 TYR N N 15 122.917 . . . . . . . . 41 Y N . 50861 1 112 . 1 . 1 42 42 LYS H H 1 8.081 . . . . . . . . 42 K HN . 50861 1 113 . 1 . 1 42 42 LYS C C 13 176.743 . . . . . . . . 42 K C . 50861 1 114 . 1 . 1 42 42 LYS CA C 13 62.276 . . . . . . . . 42 K CA . 50861 1 115 . 1 . 1 42 42 LYS CB C 13 31.759 . . . . . . . . 42 K CB . 50861 1 116 . 1 . 1 42 42 LYS N N 15 120.548 . . . . . . . . 42 K N . 50861 1 117 . 1 . 1 43 43 LYS H H 1 8.314 . . . . . . . . 43 K HN . 50861 1 118 . 1 . 1 43 43 LYS C C 13 174.411 . . . . . . . . 43 K C . 50861 1 119 . 1 . 1 43 43 LYS N N 15 111.217 . . . . . . . . 43 K N . 50861 1 120 . 1 . 1 44 44 CYS H H 1 8.292 . . . . . . . . 44 C HN . 50861 1 121 . 1 . 1 44 44 CYS C C 13 176.777 . . . . . . . . 44 C C . 50861 1 122 . 1 . 1 44 44 CYS CA C 13 56.709 . . . . . . . . 44 C CA . 50861 1 123 . 1 . 1 44 44 CYS CB C 13 29.404 . . . . . . . . 44 C CB . 50861 1 124 . 1 . 1 44 44 CYS N N 15 120.650 . . . . . . . . 44 C N . 50861 1 125 . 1 . 1 45 45 ILE H H 1 8.430 . . . . . . . . 45 I HN . 50861 1 126 . 1 . 1 45 45 ILE C C 13 175.694 . . . . . . . . 45 I C . 50861 1 127 . 1 . 1 45 45 ILE CB C 13 37.976 . . . . . . . . 45 I CB . 50861 1 128 . 1 . 1 45 45 ILE N N 15 118.417 . . . . . . . . 45 I N . 50861 1 129 . 1 . 1 46 46 ASN H H 1 8.222 . . . . . . . . 46 N HN . 50861 1 130 . 1 . 1 46 46 ASN C C 13 175.696 . . . . . . . . 46 N C . 50861 1 131 . 1 . 1 46 46 ASN CA C 13 53.389 . . . . . . . . 46 N CA . 50861 1 132 . 1 . 1 46 46 ASN N N 15 119.893 . . . . . . . . 46 N N . 50861 1 133 . 1 . 1 47 47 THR H H 1 7.910 . . . . . . . . 47 T HN . 50861 1 134 . 1 . 1 47 47 THR C C 13 174.591 . . . . . . . . 47 T C . 50861 1 135 . 1 . 1 47 47 THR CA C 13 62.284 . . . . . . . . 47 T CA . 50861 1 136 . 1 . 1 47 47 THR CB C 13 69.275 . . . . . . . . 47 T CB . 50861 1 137 . 1 . 1 47 47 THR N N 15 113.605 . . . . . . . . 47 T N . 50861 1 138 . 1 . 1 48 48 SER H H 1 8.200 . . . . . . . . 48 S HN . 50861 1 139 . 1 . 1 48 48 SER C C 13 174.203 . . . . . . . . 48 S C . 50861 1 140 . 1 . 1 48 48 SER CA C 13 58.458 . . . . . . . . 48 S CA . 50861 1 141 . 1 . 1 48 48 SER CB C 13 63.108 . . . . . . . . 48 S CB . 50861 1 142 . 1 . 1 48 48 SER N N 15 117.666 . . . . . . . . 48 S N . 50861 1 143 . 1 . 1 49 49 TYR H H 1 8.057 . . . . . . . . 49 Y HN . 50861 1 144 . 1 . 1 49 49 TYR C C 13 175.933 . . . . . . . . 49 Y C . 50861 1 145 . 1 . 1 49 49 TYR CA C 13 58.005 . . . . . . . . 49 Y CA . 50861 1 146 . 1 . 1 49 49 TYR CB C 13 38.011 . . . . . . . . 49 Y CB . 50861 1 147 . 1 . 1 49 49 TYR N N 15 121.614 . . . . . . . . 49 Y N . 50861 1 148 . 1 . 1 50 50 SER H H 1 8.152 . . . . . . . . 50 S HN . 50861 1 149 . 1 . 1 50 50 SER C C 13 174.347 . . . . . . . . 50 S C . 50861 1 150 . 1 . 1 50 50 SER CA C 13 58.055 . . . . . . . . 50 S CA . 50861 1 151 . 1 . 1 50 50 SER CB C 13 63.435 . . . . . . . . 50 S CB . 50861 1 152 . 1 . 1 50 50 SER N N 15 117.116 . . . . . . . . 50 S N . 50861 1 153 . 1 . 1 51 51 GLU H H 1 8.273 . . . . . . . . 51 E HN . 50861 1 154 . 1 . 1 51 51 GLU C C 13 176.905 . . . . . . . . 51 E C . 50861 1 155 . 1 . 1 51 51 GLU CA C 13 56.563 . . . . . . . . 51 E CA . 50861 1 156 . 1 . 1 51 51 GLU CB C 13 29.154 . . . . . . . . 51 E CB . 50861 1 157 . 1 . 1 51 51 GLU N N 15 121.982 . . . . . . . . 51 E N . 50861 1 158 . 1 . 1 52 52 GLY H H 1 8.287 . . . . . . . . 52 G HN . 50861 1 159 . 1 . 1 52 52 GLY C C 13 174.185 . . . . . . . . 52 G C . 50861 1 160 . 1 . 1 52 52 GLY CA C 13 45.121 . . . . . . . . 52 G CA . 50861 1 161 . 1 . 1 52 52 GLY N N 15 109.042 . . . . . . . . 52 G N . 50861 1 162 . 1 . 1 53 53 GLU H H 1 8.073 . . . . . . . . 53 E HN . 50861 1 163 . 1 . 1 53 53 GLU C C 13 176.527 . . . . . . . . 53 E C . 50861 1 164 . 1 . 1 53 53 GLU CA C 13 56.010 . . . . . . . . 53 E CA . 50861 1 165 . 1 . 1 53 53 GLU CB C 13 29.643 . . . . . . . . 53 E CB . 50861 1 166 . 1 . 1 53 53 GLU N N 15 120.036 . . . . . . . . 53 E N . 50861 1 167 . 1 . 1 54 54 LEU H H 1 8.211 . . . . . . . . 54 L HN . 50861 1 168 . 1 . 1 54 54 LEU C C 13 177.406 . . . . . . . . 54 L C . 50861 1 169 . 1 . 1 54 54 LEU CA C 13 55.307 . . . . . . . . 54 L CA . 50861 1 170 . 1 . 1 54 54 LEU CB C 13 41.252 . . . . . . . . 54 L CB . 50861 1 171 . 1 . 1 54 54 LEU N N 15 122.258 . . . . . . . . 54 L N . 50861 1 172 . 1 . 1 55 55 ASN H H 1 8.498 . . . . . . . . 55 N HN . 50861 1 173 . 1 . 1 55 55 ASN C C 13 175.512 . . . . . . . . 55 N C . 50861 1 174 . 1 . 1 55 55 ASN CA C 13 52.933 . . . . . . . . 55 N CA . 50861 1 175 . 1 . 1 55 55 ASN CB C 13 38.179 . . . . . . . . 55 N CB . 50861 1 176 . 1 . 1 55 55 ASN N N 15 118.987 . . . . . . . . 55 N N . 50861 1 177 . 1 . 1 56 56 LYS H H 1 8.224 . . . . . . . . 56 K HN . 50861 1 178 . 1 . 1 56 56 LYS C C 13 176.984 . . . . . . . . 56 K C . 50861 1 179 . 1 . 1 56 56 LYS CA C 13 56.666 . . . . . . . . 56 K CA . 50861 1 180 . 1 . 1 56 56 LYS CB C 13 31.673 . . . . . . . . 56 K CB . 50861 1 181 . 1 . 1 56 56 LYS N N 15 120.703 . . . . . . . . 56 K N . 50861 1 182 . 1 . 1 57 57 ASN H H 1 8.323 . . . . . . . . 57 N HN . 50861 1 183 . 1 . 1 57 57 ASN CA C 13 53.682 . . . . . . . . 57 N CA . 50861 1 184 . 1 . 1 57 57 ASN CB C 13 38.137 . . . . . . . . 57 N CB . 50861 1 185 . 1 . 1 57 57 ASN N N 15 118.363 . . . . . . . . 57 N N . 50861 1 186 . 1 . 1 58 58 GLU H H 1 8.458 . . . . . . . . 58 E HN . 50861 1 187 . 1 . 1 58 58 GLU C C 13 177.531 . . . . . . . . 58 E C . 50861 1 188 . 1 . 1 58 58 GLU CA C 13 57.962 . . . . . . . . 58 E CA . 50861 1 189 . 1 . 1 58 58 GLU CB C 13 29.255 . . . . . . . . 58 E CB . 50861 1 190 . 1 . 1 58 58 GLU N N 15 121.231 . . . . . . . . 58 E N . 50861 1 191 . 1 . 1 59 59 SER H H 1 8.369 . . . . . . . . 59 S HN . 50861 1 192 . 1 . 1 59 59 SER C C 13 175.595 . . . . . . . . 59 S C . 50861 1 193 . 1 . 1 59 59 SER CA C 13 59.862 . . . . . . . . 59 S CA . 50861 1 194 . 1 . 1 59 59 SER CB C 13 62.669 . . . . . . . . 59 S CB . 50861 1 195 . 1 . 1 59 59 SER N N 15 115.108 . . . . . . . . 59 S N . 50861 1 196 . 1 . 1 60 60 SER H H 1 8.386 . . . . . . . . 60 S HN . 50861 1 197 . 1 . 1 60 60 SER CA C 13 59.612 . . . . . . . . 60 S CA . 50861 1 198 . 1 . 1 60 60 SER CB C 13 62.870 . . . . . . . . 60 S CB . 50861 1 199 . 1 . 1 60 60 SER N N 15 117.346 . . . . . . . . 60 S N . 50861 1 200 . 1 . 1 67 67 ALA H H 1 8.148 . . . . . . . . 67 A HN . 50861 1 201 . 1 . 1 67 67 ALA C C 13 176.704 . . . . . . . . 67 A C . 50861 1 202 . 1 . 1 67 67 ALA CA C 13 56.003 . . . . . . . . 67 A CA . 50861 1 203 . 1 . 1 67 67 ALA N N 15 121.290 . . . . . . . . 67 A N . 50861 1 204 . 1 . 1 68 68 LYS H H 1 8.476 . . . . . . . . 68 K HN . 50861 1 205 . 1 . 1 68 68 LYS C C 13 177.953 . . . . . . . . 68 K C . 50861 1 206 . 1 . 1 68 68 LYS N N 15 117.622 . . . . . . . . 68 K N . 50861 1 207 . 1 . 1 69 69 TYR H H 1 8.117 . . . . . . . . 69 Y HN . 50861 1 208 . 1 . 1 69 69 TYR C C 13 178.156 . . . . . . . . 69 Y C . 50861 1 209 . 1 . 1 69 69 TYR CA C 13 58.463 . . . . . . . . 69 Y CA . 50861 1 210 . 1 . 1 69 69 TYR N N 15 118.141 . . . . . . . . 69 Y N . 50861 1 211 . 1 . 1 70 70 PHE H H 1 8.135 . . . . . . . . 70 F HN . 50861 1 212 . 1 . 1 70 70 PHE C C 13 179.257 . . . . . . . . 70 F C . 50861 1 213 . 1 . 1 70 70 PHE CB C 13 40.111 . . . . . . . . 70 F CB . 50861 1 214 . 1 . 1 70 70 PHE N N 15 118.566 . . . . . . . . 70 F N . 50861 1 215 . 1 . 1 71 71 GLU H H 1 8.146 . . . . . . . . 71 E HN . 50861 1 216 . 1 . 1 71 71 GLU C C 13 178.521 . . . . . . . . 71 E C . 50861 1 217 . 1 . 1 71 71 GLU N N 15 117.767 . . . . . . . . 71 E N . 50861 1 218 . 1 . 1 82 82 LYS H H 1 8.046 . . . . . . . . 82 K HN . 50861 1 219 . 1 . 1 82 82 LYS C C 13 176.917 . . . . . . . . 82 K C . 50861 1 220 . 1 . 1 82 82 LYS CA C 13 56.340 . . . . . . . . 82 K CA . 50861 1 221 . 1 . 1 82 82 LYS N N 15 121.261 . . . . . . . . 82 K N . 50861 1 222 . 1 . 1 83 83 MET H H 1 8.189 . . . . . . . . 83 M HN . 50861 1 223 . 1 . 1 83 83 MET C C 13 176.890 . . . . . . . . 83 M C . 50861 1 224 . 1 . 1 83 83 MET CA C 13 55.477 . . . . . . . . 83 M CA . 50861 1 225 . 1 . 1 83 83 MET CB C 13 31.939 . . . . . . . . 83 M CB . 50861 1 226 . 1 . 1 83 83 MET N N 15 120.212 . . . . . . . . 83 M N . 50861 1 227 . 1 . 1 84 84 GLY H H 1 8.307 . . . . . . . . 84 G HN . 50861 1 228 . 1 . 1 84 84 GLY N N 15 109.133 . . . . . . . . 84 G N . 50861 1 229 . 1 . 1 85 85 GLN H H 1 8.121 . . . . . . . . 85 Q HN . 50861 1 230 . 1 . 1 85 85 GLN C C 13 176.103 . . . . . . . . 85 Q C . 50861 1 231 . 1 . 1 85 85 GLN CA C 13 55.611 . . . . . . . . 85 Q CA . 50861 1 232 . 1 . 1 85 85 GLN CB C 13 28.787 . . . . . . . . 85 Q CB . 50861 1 233 . 1 . 1 85 85 GLN N N 15 119.397 . . . . . . . . 85 Q N . 50861 1 234 . 1 . 1 86 86 SER H H 1 8.218 . . . . . . . . 86 S HN . 50861 1 235 . 1 . 1 86 86 SER C C 13 174.238 . . . . . . . . 86 S C . 50861 1 236 . 1 . 1 86 86 SER CA C 13 58.085 . . . . . . . . 86 S CA . 50861 1 237 . 1 . 1 86 86 SER CB C 13 63.081 . . . . . . . . 86 S CB . 50861 1 238 . 1 . 1 86 86 SER N N 15 116.027 . . . . . . . . 86 S N . 50861 1 239 . 1 . 1 87 87 PHE H H 1 8.150 . . . . . . . . 87 F HN . 50861 1 240 . 1 . 1 87 87 PHE C C 13 175.310 . . . . . . . . 87 F C . 50861 1 241 . 1 . 1 87 87 PHE CB C 13 38.757 . . . . . . . . 87 F CB . 50861 1 242 . 1 . 1 87 87 PHE N N 15 121.625 . . . . . . . . 87 F N . 50861 1 243 . 1 . 1 89 89 ALA H H 1 8.140 . . . . . . . . 89 A HN . 50861 1 244 . 1 . 1 89 89 ALA C C 13 177.366 . . . . . . . . 89 A C . 50861 1 245 . 1 . 1 89 89 ALA CB C 13 18.204 . . . . . . . . 89 A CB . 50861 1 246 . 1 . 1 89 89 ALA N N 15 124.511 . . . . . . . . 89 A N . 50861 1 247 . 1 . 1 90 90 ALA H H 1 8.086 . . . . . . . . 90 A HN . 50861 1 248 . 1 . 1 90 90 ALA C C 13 178.139 . . . . . . . . 90 A C . 50861 1 249 . 1 . 1 90 90 ALA CB C 13 18.19 . . . . . . . . 90 A CB . 50861 1 250 . 1 . 1 90 90 ALA N N 15 121.784 . . . . . . . . 90 A N . 50861 1 251 . 1 . 1 91 91 GLY H H 1 8.104 . . . . . . . . 91 G HN . 50861 1 252 . 1 . 1 91 91 GLY C C 13 173.591 . . . . . . . . 91 G C . 50861 1 253 . 1 . 1 91 91 GLY CA C 13 44.904 . . . . . . . . 91 G CA . 50861 1 254 . 1 . 1 91 91 GLY N N 15 107.424 . . . . . . . . 91 G N . 50861 1 255 . 1 . 1 92 92 LYS H H 1 7.842 . . . . . . . . 92 K HN . 50861 1 256 . 1 . 1 92 92 LYS C C 13 175.138 . . . . . . . . 92 K C . 50861 1 257 . 1 . 1 92 92 LYS CA C 13 55.421 . . . . . . . . 92 K CA . 50861 1 258 . 1 . 1 92 92 LYS CB C 13 32.186 . . . . . . . . 92 K CB . 50861 1 259 . 1 . 1 92 92 LYS N N 15 120.508 . . . . . . . . 92 K N . 50861 1 260 . 1 . 1 93 93 PHE H H 1 7.691 . . . . . . . . 93 F HN . 50861 1 261 . 1 . 1 93 93 PHE C C 13 180.264 . . . . . . . . 93 F C . 50861 1 262 . 1 . 1 93 93 PHE CA C 13 58.497 . . . . . . . . 93 F CA . 50861 1 263 . 1 . 1 93 93 PHE CB C 13 39.592 . . . . . . . . 93 F CB . 50861 1 264 . 1 . 1 93 93 PHE N N 15 125.736 . . . . . . . . 93 F N . 50861 1 stop_ save_