################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19308 _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 .1 _Assigned_chem_shift_list.Chem_shift_13C_err .3 _Assigned_chem_shift_list.Chem_shift_15N_err .3 _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' . . . 19308 1 2 '3D CBCA(CO)NH' . . . 19308 1 3 '3D HNCO' . . . 19308 1 5 '3D HNCACB' . . . 19308 1 6 '3D 1H-13C NOESY aliphatic' . . . 19308 1 7 '3D 1H-13C NOESY aromatic' . . . 19308 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide protons' . . . 19308 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 11 11 GLY H H 1 8.368 0.020 . 1 . . . . 11 GLY H . 19308 1 2 . 1 1 11 11 GLY C C 13 172.428 0.3 . 1 . . . . 11 GLY C . 19308 1 3 . 1 1 11 11 GLY CA C 13 42.664 0.3 . 1 . . . . 11 GLY CA . 19308 1 4 . 1 1 11 11 GLY N N 15 109.636 0.3 . 1 . . . . 11 GLY N . 19308 1 5 . 1 1 12 12 SER H H 1 8.243 0.020 . 1 . . . . 12 SER H . 19308 1 6 . 1 1 12 12 SER C C 13 172.364 0.3 . 1 . . . . 12 SER C . 19308 1 7 . 1 1 12 12 SER CA C 13 55.703 0.3 . 1 . . . . 12 SER CA . 19308 1 8 . 1 1 12 12 SER CB C 13 60.937 0.3 . 1 . . . . 12 SER CB . 19308 1 9 . 1 1 12 12 SER N N 15 115.519 0.3 . 1 . . . . 12 SER N . 19308 1 10 . 1 1 13 13 HIS H H 1 8.317 0.020 . 1 . . . . 13 HIS H . 19308 1 11 . 1 1 13 13 HIS C C 13 175.151 0.3 . 1 . . . . 13 HIS C . 19308 1 12 . 1 1 13 13 HIS CA C 13 53.419 0.3 . 1 . . . . 13 HIS CA . 19308 1 13 . 1 1 13 13 HIS CB C 13 28.103 0.3 . 1 . . . . 13 HIS CB . 19308 1 14 . 1 1 13 13 HIS N N 15 122.720 0.3 . 1 . . . . 13 HIS N . 19308 1 15 . 1 1 14 14 VAL H H 1 7.442 0.020 . 1 . . . . 14 VAL H . 19308 1 16 . 1 1 14 14 VAL C C 13 177.861 0.3 . 1 . . . . 14 VAL C . 19308 1 17 . 1 1 14 14 VAL CA C 13 59.985 0.3 . 1 . . . . 14 VAL CA . 19308 1 18 . 1 1 14 14 VAL CB C 13 36.950 0.3 . 1 . . . . 14 VAL CB . 19308 1 19 . 1 1 14 14 VAL N N 15 115.363 0.3 . 1 . . . . 14 VAL N . 19308 1 20 . 1 1 15 15 ILE H H 1 8.004 0.020 . 1 . . . . 15 ILE H . 19308 1 21 . 1 1 15 15 ILE C C 13 174.084 0.3 . 1 . . . . 15 ILE C . 19308 1 22 . 1 1 15 15 ILE CA C 13 58.653 0.3 . 1 . . . . 15 ILE CA . 19308 1 23 . 1 1 15 15 ILE CB C 13 35.812 0.3 . 1 . . . . 15 ILE CB . 19308 1 24 . 1 1 15 15 ILE N N 15 121.638 0.3 . 1 . . . . 15 ILE N . 19308 1 25 . 1 1 16 16 SER H H 1 8.212 0.020 . 1 . . . . 16 SER H . 19308 1 26 . 1 1 16 16 SER C C 13 174.303 0.3 . 1 . . . . 16 SER C . 19308 1 27 . 1 1 16 16 SER CA C 13 58.177 0.3 . 1 . . . . 16 SER CA . 19308 1 28 . 1 1 16 16 SER CB C 13 60.556 0.3 . 1 . . . . 16 SER CB . 19308 1 29 . 1 1 16 16 SER N N 15 125.036 0.3 . 1 . . . . 16 SER N . 19308 1 30 . 1 1 17 17 SER H H 1 8.324 0.020 . 1 . . . . 17 SER H . 19308 1 31 . 1 1 17 17 SER C C 13 172.745 0.3 . 1 . . . . 17 SER C . 19308 1 32 . 1 1 17 17 SER CA C 13 55.322 0.3 . 1 . . . . 17 SER CA . 19308 1 33 . 1 1 17 17 SER CB C 13 61.032 0.3 . 1 . . . . 17 SER CB . 19308 1 34 . 1 1 17 17 SER N N 15 120.031 0.3 . 1 . . . . 17 SER N . 19308 1 35 . 1 1 18 18 ILE H H 1 8.001 0.020 . 1 . . . . 18 ILE H . 19308 1 36 . 1 1 18 18 ILE C C 13 174.446 0.3 . 1 . . . . 18 ILE C . 19308 1 37 . 1 1 18 18 ILE CA C 13 58.653 0.3 . 1 . . . . 18 ILE CA . 19308 1 38 . 1 1 18 18 ILE CB C 13 35.812 0.3 . 1 . . . . 18 ILE CB . 19308 1 39 . 1 1 18 18 ILE N N 15 121.721 0.3 . 1 . . . . 18 ILE N . 19308 1 40 . 1 1 19 19 ALA H H 1 8.184 0.020 . 1 . . . . 19 ALA H . 19308 1 41 . 1 1 19 19 ALA C C 13 176.030 0.3 . 1 . . . . 19 ALA C . 19308 1 42 . 1 1 19 19 ALA CA C 13 49.802 0.3 . 1 . . . . 19 ALA CA . 19308 1 43 . 1 1 19 19 ALA CB C 13 16.397 0.3 . 1 . . . . 19 ALA CB . 19308 1 44 . 1 1 19 19 ALA N N 15 127.130 0.3 . 1 . . . . 19 ALA N . 19308 1 45 . 1 1 20 20 SER H H 1 8.152 0.020 . 1 . . . . 20 SER H . 19308 1 46 . 1 1 20 20 SER C C 13 173.036 0.3 . 1 . . . . 20 SER C . 19308 1 47 . 1 1 20 20 SER CA C 13 55.417 0.3 . 1 . . . . 20 SER CA . 19308 1 48 . 1 1 20 20 SER CB C 13 60.937 0.3 . 1 . . . . 20 SER CB . 19308 1 49 . 1 1 20 20 SER N N 15 114.773 0.3 . 1 . . . . 20 SER N . 19308 1 50 . 1 1 24 24 MET H H 1 8.325 0.020 . 1 . . . . 24 MET H . 19308 1 51 . 1 1 24 24 MET C C 13 174.376 0.3 . 1 . . . . 24 MET C . 19308 1 52 . 1 1 24 24 MET CA C 13 54.802 0.3 . 1 . . . . 24 MET CA . 19308 1 53 . 1 1 24 24 MET CB C 13 28.008 0.3 . 1 . . . . 24 MET CB . 19308 1 54 . 1 1 24 24 MET N N 15 122.144 0.3 . 1 . . . . 24 MET N . 19308 1 55 . 1 1 25 25 ALA H H 1 8.064 0.020 . 1 . . . . 25 ALA H . 19308 1 56 . 1 1 25 25 ALA C C 13 176.031 0.3 . 1 . . . . 25 ALA C . 19308 1 57 . 1 1 25 25 ALA CA C 13 50.088 0.3 . 1 . . . . 25 ALA CA . 19308 1 58 . 1 1 25 25 ALA CB C 13 16.397 0.3 . 1 . . . . 25 ALA CB . 19308 1 59 . 1 1 25 25 ALA N N 15 124.109 0.3 . 1 . . . . 25 ALA N . 19308 1 60 . 1 1 26 26 GLU H H 1 8.250 0.020 . 1 . . . . 26 GLU H . 19308 1 61 . 1 1 26 26 GLU C C 13 174.600 0.3 . 1 . . . . 26 GLU C . 19308 1 62 . 1 1 26 26 GLU CA C 13 54.085 0.3 . 1 . . . . 26 GLU CA . 19308 1 63 . 1 1 26 26 GLU CB C 13 27.246 0.3 . 1 . . . . 26 GLU CB . 19308 1 64 . 1 1 26 26 GLU N N 15 119.227 0.3 . 1 . . . . 26 GLU N . 19308 1 65 . 1 1 27 27 HIS H H 1 8.159 0.020 . 1 . . . . 27 HIS H . 19308 1 66 . 1 1 27 27 HIS C C 13 173.215 0.3 . 1 . . . . 27 HIS C . 19308 1 67 . 1 1 27 27 HIS CA C 13 52.752 0.3 . 1 . . . . 27 HIS CA . 19308 1 68 . 1 1 27 27 HIS CB C 13 27.246 0.3 . 1 . . . . 27 HIS CB . 19308 1 69 . 1 1 27 27 HIS N N 15 118.871 0.3 . 1 . . . . 27 HIS N . 19308 1 70 . 1 1 28 28 GLN H H 1 8.310 0.020 . 1 . . . . 28 GLN H . 19308 1 71 . 1 1 28 28 GLN C C 13 173.695 0.3 . 1 . . . . 28 GLN C . 19308 1 72 . 1 1 28 28 GLN CA C 13 53.133 0.3 . 1 . . . . 28 GLN CA . 19308 1 73 . 1 1 28 28 GLN CB C 13 29.721 0.3 . 1 . . . . 28 GLN CB . 19308 1 74 . 1 1 28 28 GLN N N 15 121.389 0.3 . 1 . . . . 28 GLN N . 19308 1 75 . 1 1 29 29 LEU H H 1 8.302 0.020 . 1 . . . . 29 LEU H . 19308 1 76 . 1 1 29 29 LEU C C 13 175.721 0.3 . 1 . . . . 29 LEU C . 19308 1 77 . 1 1 29 29 LEU CA C 13 52.372 0.3 . 1 . . . . 29 LEU CA . 19308 1 78 . 1 1 29 29 LEU CB C 13 39.904 0.3 . 1 . . . . 29 LEU CB . 19308 1 79 . 1 1 29 29 LEU N N 15 123.713 0.3 . 1 . . . . 29 LEU N . 19308 1 80 . 1 1 30 30 GLY H H 1 8.498 0.020 . 1 . . . . 30 GLY H . 19308 1 81 . 1 1 30 30 GLY C C 13 170.252 0.3 . 1 . . . . 30 GLY C . 19308 1 82 . 1 1 30 30 GLY CA C 13 42.283 0.3 . 1 . . . . 30 GLY CA . 19308 1 83 . 1 1 30 30 GLY N N 15 110.264 0.3 . 1 . . . . 30 GLY N . 19308 1 84 . 1 1 31 31 PRO C C 13 179.073 0.3 . 1 . . . . 31 PRO C . 19308 1 85 . 1 1 31 31 PRO CA C 13 64.154 0.3 . 1 . . . . 31 PRO CA . 19308 1 86 . 1 1 31 31 PRO CB C 13 31.191 0.3 . 1 . . . . 31 PRO CB . 19308 1 87 . 1 1 32 32 ILE H H 1 10.257 0.020 . 1 . . . . 32 ILE H . 19308 1 88 . 1 1 32 32 ILE C C 13 176.719 0.3 . 1 . . . . 32 ILE C . 19308 1 89 . 1 1 32 32 ILE CA C 13 61.603 0.3 . 1 . . . . 32 ILE CA . 19308 1 90 . 1 1 32 32 ILE CB C 13 32.671 0.3 . 1 . . . . 32 ILE CB . 19308 1 91 . 1 1 32 32 ILE N N 15 123.925 0.3 . 1 . . . . 32 ILE N . 19308 1 92 . 1 1 33 33 ALA H H 1 9.282 0.020 . 1 . . . . 33 ALA H . 19308 1 93 . 1 1 33 33 ALA C C 13 178.057 0.3 . 1 . . . . 33 ALA C . 19308 1 94 . 1 1 33 33 ALA CA C 13 52.467 0.3 . 1 . . . . 33 ALA CA . 19308 1 95 . 1 1 33 33 ALA CB C 13 16.777 0.3 . 1 . . . . 33 ALA CB . 19308 1 96 . 1 1 33 33 ALA N N 15 124.540 0.3 . 1 . . . . 33 ALA N . 19308 1 97 . 1 1 34 34 GLY C C 13 174.460 0.3 . 1 . . . . 34 GLY C . 19308 1 98 . 1 1 34 34 GLY CA C 13 45.838 0.3 . 1 . . . . 34 GLY CA . 19308 1 99 . 1 1 35 35 ALA H H 1 7.340 0.020 . 1 . . . . 35 ALA H . 19308 1 100 . 1 1 35 35 ALA C C 13 177.280 0.3 . 1 . . . . 35 ALA C . 19308 1 101 . 1 1 35 35 ALA CA C 13 52.181 0.3 . 1 . . . . 35 ALA CA . 19308 1 102 . 1 1 35 35 ALA CB C 13 16.111 0.3 . 1 . . . . 35 ALA CB . 19308 1 103 . 1 1 35 35 ALA N N 15 126.232 0.3 . 1 . . . . 35 ALA N . 19308 1 104 . 1 1 36 36 ILE H H 1 8.355 0.020 . 1 . . . . 36 ILE H . 19308 1 105 . 1 1 36 36 ILE C C 13 175.551 0.3 . 1 . . . . 36 ILE C . 19308 1 106 . 1 1 36 36 ILE CA C 13 63.126 0.3 . 1 . . . . 36 ILE CA . 19308 1 107 . 1 1 36 36 ILE CB C 13 34.765 0.3 . 1 . . . . 36 ILE CB . 19308 1 108 . 1 1 36 36 ILE N N 15 117.185 0.3 . 1 . . . . 36 ILE N . 19308 1 109 . 1 1 37 37 LYS H H 1 7.882 0.020 . 1 . . . . 37 LYS H . 19308 1 110 . 1 1 37 37 LYS C C 13 175.620 0.3 . 1 . . . . 37 LYS C . 19308 1 111 . 1 1 37 37 LYS CA C 13 57.035 0.3 . 1 . . . . 37 LYS CA . 19308 1 112 . 1 1 37 37 LYS CB C 13 30.197 0.3 . 1 . . . . 37 LYS CB . 19308 1 113 . 1 1 37 37 LYS N N 15 116.648 0.3 . 1 . . . . 37 LYS N . 19308 1 114 . 1 1 38 38 SER H H 1 7.969 0.020 . 1 . . . . 38 SER H . 19308 1 115 . 1 1 38 38 SER C C 13 175.560 0.3 . 1 . . . . 38 SER C . 19308 1 116 . 1 1 38 38 SER CA C 13 58.653 0.3 . 1 . . . . 38 SER CA . 19308 1 117 . 1 1 38 38 SER CB C 13 60.081 0.3 . 1 . . . . 38 SER CB . 19308 1 118 . 1 1 38 38 SER N N 15 111.592 0.3 . 1 . . . . 38 SER N . 19308 1 119 . 1 1 39 39 LYS H H 1 8.525 0.020 . 1 . . . . 39 LYS H . 19308 1 120 . 1 1 39 39 LYS C C 13 178.379 0.3 . 1 . . . . 39 LYS C . 19308 1 121 . 1 1 39 39 LYS CA C 13 57.416 0.3 . 1 . . . . 39 LYS CA . 19308 1 122 . 1 1 39 39 LYS CB C 13 30.197 0.3 . 1 . . . . 39 LYS CB . 19308 1 123 . 1 1 39 39 LYS N N 15 120.660 0.3 . 1 . . . . 39 LYS N . 19308 1 124 . 1 1 40 40 VAL H H 1 8.424 0.020 . 1 . . . . 40 VAL H . 19308 1 125 . 1 1 40 40 VAL C C 13 178.515 0.3 . 1 . . . . 40 VAL C . 19308 1 126 . 1 1 40 40 VAL CA C 13 64.173 0.3 . 1 . . . . 40 VAL CA . 19308 1 127 . 1 1 40 40 VAL CB C 13 28.008 0.3 . 1 . . . . 40 VAL CB . 19308 1 128 . 1 1 40 40 VAL N N 15 118.788 0.3 . 1 . . . . 40 VAL N . 19308 1 129 . 1 1 41 41 GLU H H 1 8.280 0.020 . 1 . . . . 41 GLU H . 19308 1 130 . 1 1 41 41 GLU C C 13 177.456 0.3 . 1 . . . . 41 GLU C . 19308 1 131 . 1 1 41 41 GLU CA C 13 57.321 0.3 . 1 . . . . 41 GLU CA . 19308 1 132 . 1 1 41 41 GLU CB C 13 25.819 0.3 . 1 . . . . 41 GLU CB . 19308 1 133 . 1 1 41 41 GLU N N 15 118.655 0.3 . 1 . . . . 41 GLU N . 19308 1 134 . 1 1 42 42 ALA H H 1 7.565 0.020 . 1 . . . . 42 ALA H . 19308 1 135 . 1 1 42 42 ALA C C 13 177.523 0.3 . 1 . . . . 42 ALA C . 19308 1 136 . 1 1 42 42 ALA CA C 13 51.705 0.3 . 1 . . . . 42 ALA CA . 19308 1 137 . 1 1 42 42 ALA CB C 13 15.826 0.3 . 1 . . . . 42 ALA CB . 19308 1 138 . 1 1 42 42 ALA N N 15 118.738 0.3 . 1 . . . . 42 ALA N . 19308 1 139 . 1 1 43 43 ALA H H 1 7.485 0.020 . 1 . . . . 43 ALA H . 19308 1 140 . 1 1 43 43 ALA C C 13 177.831 0.3 . 1 . . . . 43 ALA C . 19308 1 141 . 1 1 43 43 ALA CA C 13 51.230 0.3 . 1 . . . . 43 ALA CA . 19308 1 142 . 1 1 43 43 ALA CB C 13 17.824 0.3 . 1 . . . . 43 ALA CB . 19308 1 143 . 1 1 43 43 ALA N N 15 115.330 0.3 . 1 . . . . 43 ALA N . 19308 1 144 . 1 1 44 44 LEU H H 1 7.993 0.020 . 1 . . . . 44 LEU H . 19308 1 145 . 1 1 44 44 LEU C C 13 175.011 0.3 . 1 . . . . 44 LEU C . 19308 1 146 . 1 1 44 44 LEU CA C 13 51.134 0.3 . 1 . . . . 44 LEU CA . 19308 1 147 . 1 1 44 44 LEU CB C 13 39.428 0.3 . 1 . . . . 44 LEU CB . 19308 1 148 . 1 1 44 44 LEU N N 15 112.146 0.3 . 1 . . . . 44 LEU N . 19308 1 149 . 1 1 45 45 SER H H 1 7.679 0.020 . 1 . . . . 45 SER H . 19308 1 150 . 1 1 45 45 SER C C 13 174.944 0.3 . 1 . . . . 45 SER C . 19308 1 151 . 1 1 45 45 SER CA C 13 55.227 0.3 . 1 . . . . 45 SER CA . 19308 1 152 . 1 1 45 45 SER CB C 13 59.700 0.3 . 1 . . . . 45 SER CB . 19308 1 153 . 1 1 45 45 SER N N 15 113.583 0.3 . 1 . . . . 45 SER N . 19308 1 154 . 1 1 46 46 PRO C C 13 175.933 0.3 . 1 . . . . 46 PRO C . 19308 1 155 . 1 1 46 46 PRO CA C 13 62.192 0.3 . 1 . . . . 46 PRO CA . 19308 1 156 . 1 1 46 46 PRO CB C 13 32.682 0.3 . 1 . . . . 46 PRO CB . 19308 1 157 . 1 1 47 47 THR H H 1 8.351 0.020 . 1 . . . . 47 THR H . 19308 1 158 . 1 1 47 47 THR C C 13 173.363 0.3 . 1 . . . . 47 THR C . 19308 1 159 . 1 1 47 47 THR CA C 13 59.795 0.3 . 1 . . . . 47 THR CA . 19308 1 160 . 1 1 47 47 THR CB C 13 65.315 0.3 . 1 . . . . 47 THR CB . 19308 1 161 . 1 1 47 47 THR N N 15 111.371 0.3 . 1 . . . . 47 THR N . 19308 1 162 . 1 1 48 48 HIS H H 1 7.297 0.020 . 1 . . . . 48 HIS H . 19308 1 163 . 1 1 48 48 HIS C C 13 170.870 0.3 . 1 . . . . 48 HIS C . 19308 1 164 . 1 1 48 48 HIS CA C 13 53.704 0.3 . 1 . . . . 48 HIS CA . 19308 1 165 . 1 1 48 48 HIS CB C 13 30.197 0.3 . 1 . . . . 48 HIS CB . 19308 1 166 . 1 1 48 48 HIS N N 15 119.741 0.3 . 1 . . . . 48 HIS N . 19308 1 167 . 1 1 49 49 PHE H H 1 7.967 0.020 . 1 . . . . 49 PHE H . 19308 1 168 . 1 1 49 49 PHE C C 13 170.977 0.3 . 1 . . . . 49 PHE C . 19308 1 169 . 1 1 49 49 PHE CA C 13 53.924 0.3 . 1 . . . . 49 PHE CA . 19308 1 170 . 1 1 49 49 PHE CB C 13 39.715 0.3 . 1 . . . . 49 PHE CB . 19308 1 171 . 1 1 49 49 PHE N N 15 127.183 0.3 . 1 . . . . 49 PHE N . 19308 1 172 . 1 1 50 50 LYS H H 1 8.161 0.020 . 1 . . . . 50 LYS H . 19308 1 173 . 1 1 50 50 LYS C C 13 170.398 0.3 . 1 . . . . 50 LYS C . 19308 1 174 . 1 1 50 50 LYS CA C 13 53.038 0.3 . 1 . . . . 50 LYS CA . 19308 1 175 . 1 1 50 50 LYS CB C 13 33.908 0.3 . 1 . . . . 50 LYS CB . 19308 1 176 . 1 1 50 50 LYS N N 15 128.587 0.3 . 1 . . . . 50 LYS N . 19308 1 177 . 1 1 51 51 LEU H H 1 8.508 0.020 . 1 . . . . 51 LEU H . 19308 1 178 . 1 1 51 51 LEU C C 13 173.441 0.3 . 1 . . . . 51 LEU C . 19308 1 179 . 1 1 51 51 LEU CA C 13 50.944 0.3 . 1 . . . . 51 LEU CA . 19308 1 180 . 1 1 51 51 LEU CB C 13 42.854 0.3 . 1 . . . . 51 LEU CB . 19308 1 181 . 1 1 51 51 LEU N N 15 128.364 0.3 . 1 . . . . 51 LEU N . 19308 1 182 . 1 1 52 52 ILE H H 1 9.218 0.020 . 1 . . . . 52 ILE H . 19308 1 183 . 1 1 52 52 ILE C C 13 172.789 0.3 . 1 . . . . 52 ILE C . 19308 1 184 . 1 1 52 52 ILE CA C 13 57.701 0.3 . 1 . . . . 52 ILE CA . 19308 1 185 . 1 1 52 52 ILE CB C 13 39.048 0.3 . 1 . . . . 52 ILE CB . 19308 1 186 . 1 1 52 52 ILE N N 15 126.907 0.3 . 1 . . . . 52 ILE N . 19308 1 187 . 1 1 53 53 ASN H H 1 9.200 0.020 . 1 . . . . 53 ASN H . 19308 1 188 . 1 1 53 53 ASN C C 13 172.917 0.3 . 1 . . . . 53 ASN C . 19308 1 189 . 1 1 53 53 ASN CA C 13 50.278 0.3 . 1 . . . . 53 ASN CA . 19308 1 190 . 1 1 53 53 ASN CB C 13 35.050 0.3 . 1 . . . . 53 ASN CB . 19308 1 191 . 1 1 53 53 ASN N N 15 126.199 0.3 . 1 . . . . 53 ASN N . 19308 1 192 . 1 1 54 54 ASP H H 1 8.571 0.020 . 1 . . . . 54 ASP H . 19308 1 193 . 1 1 54 54 ASP C C 13 176.236 0.3 . 1 . . . . 54 ASP C . 19308 1 194 . 1 1 54 54 ASP CA C 13 50.659 0.3 . 1 . . . . 54 ASP CA . 19308 1 195 . 1 1 54 54 ASP CB C 13 39.714 0.3 . 1 . . . . 54 ASP CB . 19308 1 196 . 1 1 54 54 ASP N N 15 128.749 0.3 . 1 . . . . 54 ASP N . 19308 1 197 . 1 1 55 55 SER H H 1 8.757 0.020 . 1 . . . . 55 SER H . 19308 1 198 . 1 1 55 55 SER C C 13 173.624 0.3 . 1 . . . . 55 SER C . 19308 1 199 . 1 1 55 55 SER CA C 13 60.842 0.3 . 1 . . . . 55 SER CA . 19308 1 200 . 1 1 55 55 SER CB C 13 59.890 0.3 . 1 . . . . 55 SER CB . 19308 1 201 . 1 1 55 55 SER N N 15 118.722 0.3 . 1 . . . . 55 SER N . 19308 1 202 . 1 1 56 56 HIS H H 1 8.307 0.020 . 1 . . . . 56 HIS H . 19308 1 203 . 1 1 56 56 HIS C C 13 174.616 0.3 . 1 . . . . 56 HIS C . 19308 1 204 . 1 1 56 56 HIS CA C 13 55.608 0.3 . 1 . . . . 56 HIS CA . 19308 1 205 . 1 1 56 56 HIS CB C 13 25.819 0.3 . 1 . . . . 56 HIS CB . 19308 1 206 . 1 1 56 56 HIS N N 15 118.150 0.3 . 1 . . . . 56 HIS N . 19308 1 207 . 1 1 57 57 LYS H H 1 7.169 0.020 . 1 . . . . 57 LYS H . 19308 1 208 . 1 1 57 57 LYS C C 13 174.450 0.3 . 1 . . . . 57 LYS C . 19308 1 209 . 1 1 57 57 LYS CA C 13 53.990 0.3 . 1 . . . . 57 LYS CA . 19308 1 210 . 1 1 57 57 LYS CB C 13 28.959 0.3 . 1 . . . . 57 LYS CB . 19308 1 211 . 1 1 57 57 LYS N N 15 118.945 0.3 . 1 . . . . 57 LYS N . 19308 1 212 . 1 1 58 58 HIS H H 1 7.288 0.020 . 1 . . . . 58 HIS H . 19308 1 213 . 1 1 58 58 HIS C C 13 172.596 0.3 . 1 . . . . 58 HIS C . 19308 1 214 . 1 1 58 58 HIS CA C 13 52.372 0.3 . 1 . . . . 58 HIS CA . 19308 1 215 . 1 1 58 58 HIS CB C 13 27.722 0.3 . 1 . . . . 58 HIS CB . 19308 1 216 . 1 1 58 58 HIS N N 15 116.974 0.3 . 1 . . . . 58 HIS N . 19308 1 217 . 1 1 59 59 ALA H H 1 7.580 0.020 . 1 . . . . 59 ALA H . 19308 1 218 . 1 1 59 59 ALA C C 13 176.331 0.3 . 1 . . . . 59 ALA C . 19308 1 219 . 1 1 59 59 ALA CA C 13 50.278 0.3 . 1 . . . . 59 ALA CA . 19308 1 220 . 1 1 59 59 ALA CB C 13 16.397 0.3 . 1 . . . . 59 ALA CB . 19308 1 221 . 1 1 59 59 ALA N N 15 123.705 0.3 . 1 . . . . 59 ALA N . 19308 1 222 . 1 1 60 60 GLY H H 1 8.356 0.020 . 1 . . . . 60 GLY H . 19308 1 223 . 1 1 60 60 GLY C C 13 172.351 0.3 . 1 . . . . 60 GLY C . 19308 1 224 . 1 1 60 60 GLY CA C 13 42.569 0.3 . 1 . . . . 60 GLY CA . 19308 1 225 . 1 1 60 60 GLY N N 15 107.516 0.3 . 1 . . . . 60 GLY N . 19308 1 226 . 1 1 61 61 HIS H H 1 8.001 0.020 . 1 . . . . 61 HIS H . 19308 1 227 . 1 1 61 61 HIS C C 13 172.983 0.3 . 1 . . . . 61 HIS C . 19308 1 228 . 1 1 61 61 HIS CA C 13 53.228 0.3 . 1 . . . . 61 HIS CA . 19308 1 229 . 1 1 61 61 HIS CB C 13 27.151 0.3 . 1 . . . . 61 HIS CB . 19308 1 230 . 1 1 61 61 HIS N N 15 118.151 0.3 . 1 . . . . 61 HIS N . 19308 1 231 . 1 1 62 62 TYR H H 1 7.905 0.020 . 1 . . . . 62 TYR H . 19308 1 232 . 1 1 62 62 TYR C C 13 173.291 0.3 . 1 . . . . 62 TYR C . 19308 1 233 . 1 1 62 62 TYR CA C 13 54.973 0.3 . 1 . . . . 62 TYR CA . 19308 1 234 . 1 1 62 62 TYR CB C 13 36.092 0.3 . 1 . . . . 62 TYR CB . 19308 1 235 . 1 1 62 62 TYR N N 15 120.528 0.3 . 1 . . . . 62 TYR N . 19308 1 236 . 1 1 63 63 ALA H H 1 8.111 0.020 . 1 . . . . 63 ALA H . 19308 1 237 . 1 1 63 63 ALA C C 13 175.714 0.3 . 1 . . . . 63 ALA C . 19308 1 238 . 1 1 63 63 ALA CA C 13 49.537 0.3 . 1 . . . . 63 ALA CA . 19308 1 239 . 1 1 63 63 ALA CB C 13 16.352 0.3 . 1 . . . . 63 ALA CB . 19308 1 240 . 1 1 63 63 ALA N N 15 125.428 0.3 . 1 . . . . 63 ALA N . 19308 1 241 . 1 1 64 64 ARG H H 1 8.225 0.020 . 1 . . . . 64 ARG H . 19308 1 242 . 1 1 64 64 ARG C C 13 174.605 0.3 . 1 . . . . 64 ARG C . 19308 1 243 . 1 1 64 64 ARG CA C 13 53.828 0.3 . 1 . . . . 64 ARG CA . 19308 1 244 . 1 1 64 64 ARG CB C 13 27.509 0.3 . 1 . . . . 64 ARG CB . 19308 1 245 . 1 1 64 64 ARG N N 15 120.527 0.3 . 1 . . . . 64 ARG N . 19308 1 246 . 1 1 65 65 ASP H H 1 8.129 0.020 . 1 . . . . 65 ASP H . 19308 1 247 . 1 1 65 65 ASP C C 13 176.735 0.3 . 1 . . . . 65 ASP C . 19308 1 248 . 1 1 65 65 ASP CA C 13 51.230 0.3 . 1 . . . . 65 ASP CA . 19308 1 249 . 1 1 65 65 ASP CB C 13 38.191 0.3 . 1 . . . . 65 ASP CB . 19308 1 250 . 1 1 65 65 ASP N N 15 120.031 0.3 . 1 . . . . 65 ASP N . 19308 1 251 . 1 1 66 66 GLY H H 1 8.296 0.020 . 1 . . . . 66 GLY H . 19308 1 252 . 1 1 66 66 GLY C C 13 172.591 0.3 . 1 . . . . 66 GLY C . 19308 1 253 . 1 1 66 66 GLY CA C 13 42.759 0.3 . 1 . . . . 66 GLY CA . 19308 1 254 . 1 1 66 66 GLY N N 15 109.200 0.3 . 1 . . . . 66 GLY N . 19308 1 255 . 1 1 67 67 SER H H 1 8.174 0.020 . 1 . . . . 67 SER H . 19308 1 256 . 1 1 67 67 SER C C 13 172.900 0.3 . 1 . . . . 67 SER C . 19308 1 257 . 1 1 67 67 SER CA C 13 55.703 0.3 . 1 . . . . 67 SER CA . 19308 1 258 . 1 1 67 67 SER CB C 13 61.508 0.3 . 1 . . . . 67 SER CB . 19308 1 259 . 1 1 67 67 SER N N 15 115.756 0.3 . 1 . . . . 67 SER N . 19308 1 260 . 1 1 68 68 THR H H 1 8.326 0.020 . 1 . . . . 68 THR H . 19308 1 261 . 1 1 68 68 THR C C 13 173.053 0.3 . 1 . . . . 68 THR C . 19308 1 262 . 1 1 68 68 THR CA C 13 59.605 0.3 . 1 . . . . 68 THR CA . 19308 1 263 . 1 1 68 68 THR CB C 13 67.028 0.3 . 1 . . . . 68 THR CB . 19308 1 264 . 1 1 68 68 THR N N 15 115.671 0.3 . 1 . . . . 68 THR N . 19308 1 265 . 1 1 69 69 ALA H H 1 8.293 0.020 . 1 . . . . 69 ALA H . 19308 1 266 . 1 1 69 69 ALA C C 13 176.339 0.3 . 1 . . . . 69 ALA C . 19308 1 267 . 1 1 69 69 ALA CA C 13 50.468 0.3 . 1 . . . . 69 ALA CA . 19308 1 268 . 1 1 69 69 ALA CB C 13 16.301 0.3 . 1 . . . . 69 ALA CB . 19308 1 269 . 1 1 69 69 ALA N N 15 125.209 0.3 . 1 . . . . 69 ALA N . 19308 1 270 . 1 1 70 70 SER H H 1 8.165 0.020 . 1 . . . . 70 SER H . 19308 1 271 . 1 1 70 70 SER C C 13 173.306 0.3 . 1 . . . . 70 SER C . 19308 1 272 . 1 1 70 70 SER CA C 13 56.464 0.3 . 1 . . . . 70 SER CA . 19308 1 273 . 1 1 70 70 SER CB C 13 60.937 0.3 . 1 . . . . 70 SER CB . 19308 1 274 . 1 1 70 70 SER N N 15 114.421 0.3 . 1 . . . . 70 SER N . 19308 1 275 . 1 1 71 71 ASP H H 1 8.243 0.020 . 1 . . . . 71 ASP H . 19308 1 276 . 1 1 71 71 ASP C C 13 174.375 0.3 . 1 . . . . 71 ASP C . 19308 1 277 . 1 1 71 71 ASP CA C 13 52.086 0.3 . 1 . . . . 71 ASP CA . 19308 1 278 . 1 1 71 71 ASP CB C 13 38.286 0.3 . 1 . . . . 71 ASP CB . 19308 1 279 . 1 1 71 71 ASP N N 15 121.969 0.3 . 1 . . . . 71 ASP N . 19308 1 280 . 1 1 72 72 ALA H H 1 8.037 0.020 . 1 . . . . 72 ALA H . 19308 1 281 . 1 1 72 72 ALA C C 13 175.870 0.3 . 1 . . . . 72 ALA C . 19308 1 282 . 1 1 72 72 ALA CA C 13 49.517 0.3 . 1 . . . . 72 ALA CA . 19308 1 283 . 1 1 72 72 ALA CB C 13 16.397 0.3 . 1 . . . . 72 ALA CB . 19308 1 284 . 1 1 72 72 ALA N N 15 122.829 0.3 . 1 . . . . 72 ALA N . 19308 1 285 . 1 1 73 73 GLY H H 1 8.186 0.020 . 1 . . . . 73 GLY H . 19308 1 286 . 1 1 73 73 GLY C C 13 171.959 0.3 . 1 . . . . 73 GLY C . 19308 1 287 . 1 1 73 73 GLY CA C 13 42.854 0.3 . 1 . . . . 73 GLY CA . 19308 1 288 . 1 1 73 73 GLY N N 15 107.024 0.3 . 1 . . . . 73 GLY N . 19308 1 289 . 1 1 74 74 GLU H H 1 8.431 0.020 . 1 . . . . 74 GLU H . 19308 1 290 . 1 1 74 74 GLU C C 13 171.319 0.3 . 1 . . . . 74 GLU C . 19308 1 291 . 1 1 74 74 GLU CA C 13 52.467 0.3 . 1 . . . . 74 GLU CA . 19308 1 292 . 1 1 74 74 GLU CB C 13 29.340 0.3 . 1 . . . . 74 GLU CB . 19308 1 293 . 1 1 74 74 GLU N N 15 121.953 0.3 . 1 . . . . 74 GLU N . 19308 1 294 . 1 1 75 75 THR H H 1 8.179 0.020 . 1 . . . . 75 THR H . 19308 1 295 . 1 1 75 75 THR C C 13 173.964 0.3 . 1 . . . . 75 THR C . 19308 1 296 . 1 1 75 75 THR CA C 13 60.366 0.3 . 1 . . . . 75 THR CA . 19308 1 297 . 1 1 75 75 THR CB C 13 68.487 0.3 . 1 . . . . 75 THR CB . 19308 1 298 . 1 1 75 75 THR N N 15 107.566 0.3 . 1 . . . . 75 THR N . 19308 1 299 . 1 1 76 76 HIS H H 1 7.775 0.020 . 1 . . . . 76 HIS H . 19308 1 300 . 1 1 76 76 HIS C C 13 171.887 0.3 . 1 . . . . 76 HIS C . 19308 1 301 . 1 1 76 76 HIS CA C 13 53.609 0.3 . 1 . . . . 76 HIS CA . 19308 1 302 . 1 1 76 76 HIS CB C 13 30.672 0.3 . 1 . . . . 76 HIS CB . 19308 1 303 . 1 1 76 76 HIS N N 15 122.451 0.3 . 1 . . . . 76 HIS N . 19308 1 304 . 1 1 77 77 PHE H H 1 7.893 0.020 . 1 . . . . 77 PHE H . 19308 1 305 . 1 1 77 77 PHE C C 13 174.622 0.3 . 1 . . . . 77 PHE C . 19308 1 306 . 1 1 77 77 PHE CA C 13 53.133 0.3 . 1 . . . . 77 PHE CA . 19308 1 307 . 1 1 77 77 PHE CB C 13 41.427 0.3 . 1 . . . . 77 PHE CB . 19308 1 308 . 1 1 77 77 PHE N N 15 116.105 0.3 . 1 . . . . 77 PHE N . 19308 1 309 . 1 1 78 78 ARG H H 1 9.324 0.020 . 1 . . . . 78 ARG H . 19308 1 310 . 1 1 78 78 ARG C C 13 172.654 0.3 . 1 . . . . 78 ARG C . 19308 1 311 . 1 1 78 78 ARG CA C 13 52.657 0.3 . 1 . . . . 78 ARG CA . 19308 1 312 . 1 1 78 78 ARG CB C 13 30.482 0.3 . 1 . . . . 78 ARG CB . 19308 1 313 . 1 1 78 78 ARG N N 15 121.787 0.3 . 1 . . . . 78 ARG N . 19308 1 314 . 1 1 79 79 LEU H H 1 8.559 0.020 . 1 . . . . 79 LEU H . 19308 1 315 . 1 1 79 79 LEU C C 13 172.660 0.3 . 1 . . . . 79 LEU C . 19308 1 316 . 1 1 79 79 LEU CA C 13 50.373 0.3 . 1 . . . . 79 LEU CA . 19308 1 317 . 1 1 79 79 LEU CB C 13 43.901 0.3 . 1 . . . . 79 LEU CB . 19308 1 318 . 1 1 79 79 LEU N N 15 124.025 0.3 . 1 . . . . 79 LEU N . 19308 1 319 . 1 1 80 80 GLU H H 1 9.159 0.020 . 1 . . . . 80 GLU H . 19308 1 320 . 1 1 80 80 GLU C C 13 172.682 0.3 . 1 . . . . 80 GLU C . 19308 1 321 . 1 1 80 80 GLU CA C 13 51.230 0.3 . 1 . . . . 80 GLU CA . 19308 1 322 . 1 1 80 80 GLU CB C 13 28.293 0.3 . 1 . . . . 80 GLU CB . 19308 1 323 . 1 1 80 80 GLU N N 15 126.624 0.3 . 1 . . . . 80 GLU N . 19308 1 324 . 1 1 81 81 VAL H H 1 8.529 0.020 . 1 . . . . 81 VAL H . 19308 1 325 . 1 1 81 81 VAL C C 13 172.198 0.3 . 1 . . . . 81 VAL C . 19308 1 326 . 1 1 81 81 VAL CA C 13 57.701 0.3 . 1 . . . . 81 VAL CA . 19308 1 327 . 1 1 81 81 VAL CB C 13 32.766 0.3 . 1 . . . . 81 VAL CB . 19308 1 328 . 1 1 81 81 VAL N N 15 119.235 0.3 . 1 . . . . 81 VAL N . 19308 1 329 . 1 1 82 82 THR H H 1 8.754 0.020 . 1 . . . . 82 THR H . 19308 1 330 . 1 1 82 82 THR C C 13 172.426 0.3 . 1 . . . . 82 THR C . 19308 1 331 . 1 1 82 82 THR CA C 13 57.416 0.3 . 1 . . . . 82 THR CA . 19308 1 332 . 1 1 82 82 THR CB C 13 66.457 0.3 . 1 . . . . 82 THR CB . 19308 1 333 . 1 1 82 82 THR N N 15 127.049 0.3 . 1 . . . . 82 THR N . 19308 1 334 . 1 1 83 83 SER H H 1 8.873 0.020 . 1 . . . . 83 SER H . 19308 1 335 . 1 1 83 83 SER C C 13 173.220 0.3 . 1 . . . . 83 SER C . 19308 1 336 . 1 1 83 83 SER CA C 13 53.894 0.3 . 1 . . . . 83 SER CA . 19308 1 337 . 1 1 83 83 SER CB C 13 61.127 0.3 . 1 . . . . 83 SER CB . 19308 1 338 . 1 1 83 83 SER N N 15 117.080 0.3 . 1 . . . . 83 SER N . 19308 1 339 . 1 1 84 84 ASP H H 1 9.136 0.020 . 1 . . . . 84 ASP H . 19308 1 340 . 1 1 84 84 ASP C C 13 175.944 0.3 . 1 . . . . 84 ASP C . 19308 1 341 . 1 1 84 84 ASP CA C 13 54.085 0.3 . 1 . . . . 84 ASP CA . 19308 1 342 . 1 1 84 84 ASP CB C 13 38.286 0.3 . 1 . . . . 84 ASP CB . 19308 1 343 . 1 1 84 84 ASP N N 15 130.651 0.3 . 1 . . . . 84 ASP N . 19308 1 344 . 1 1 85 85 ALA H H 1 8.600 0.020 . 1 . . . . 85 ALA H . 19308 1 345 . 1 1 85 85 ALA C C 13 176.256 0.3 . 1 . . . . 85 ALA C . 19308 1 346 . 1 1 85 85 ALA CA C 13 51.039 0.3 . 1 . . . . 85 ALA CA . 19308 1 347 . 1 1 85 85 ALA CB C 13 15.540 0.3 . 1 . . . . 85 ALA CB . 19308 1 348 . 1 1 85 85 ALA N N 15 122.493 0.3 . 1 . . . . 85 ALA N . 19308 1 349 . 1 1 86 86 PHE H H 1 6.656 0.020 . 1 . . . . 86 PHE H . 19308 1 350 . 1 1 86 86 PHE C C 13 173.141 0.3 . 1 . . . . 86 PHE C . 19308 1 351 . 1 1 86 86 PHE CA C 13 52.181 0.3 . 1 . . . . 86 PHE CA . 19308 1 352 . 1 1 86 86 PHE CB C 13 35.050 0.3 . 1 . . . . 86 PHE CB . 19308 1 353 . 1 1 86 86 PHE N N 15 111.205 0.3 . 1 . . . . 86 PHE N . 19308 1 354 . 1 1 87 87 LYS H H 1 7.454 0.020 . 1 . . . . 87 LYS H . 19308 1 355 . 1 1 87 87 LYS C C 13 175.636 0.3 . 1 . . . . 87 LYS C . 19308 1 356 . 1 1 87 87 LYS CA C 13 56.274 0.3 . 1 . . . . 87 LYS CA . 19308 1 357 . 1 1 87 87 LYS CB C 13 29.245 0.3 . 1 . . . . 87 LYS CB . 19308 1 358 . 1 1 87 87 LYS N N 15 120.354 0.3 . 1 . . . . 87 LYS N . 19308 1 359 . 1 1 88 88 GLY H H 1 9.001 0.020 . 1 . . . . 88 GLY H . 19308 1 360 . 1 1 88 88 GLY C C 13 172.110 0.3 . 1 . . . . 88 GLY C . 19308 1 361 . 1 1 88 88 GLY CA C 13 42.379 0.3 . 1 . . . . 88 GLY CA . 19308 1 362 . 1 1 88 88 GLY N N 15 113.072 0.3 . 1 . . . . 88 GLY N . 19308 1 363 . 1 1 89 89 LEU H H 1 7.914 0.020 . 1 . . . . 89 LEU H . 19308 1 364 . 1 1 89 89 LEU C C 13 176.881 0.3 . 1 . . . . 89 LEU C . 19308 1 365 . 1 1 89 89 LEU CA C 13 51.039 0.3 . 1 . . . . 89 LEU CA . 19308 1 366 . 1 1 89 89 LEU CB C 13 40.570 0.3 . 1 . . . . 89 LEU CB . 19308 1 367 . 1 1 89 89 LEU N N 15 120.089 0.3 . 1 . . . . 89 LEU N . 19308 1 368 . 1 1 90 90 THR H H 1 7.788 0.020 . 1 . . . . 90 THR H . 19308 1 369 . 1 1 90 90 THR C C 13 173.061 0.3 . 1 . . . . 90 THR C . 19308 1 370 . 1 1 90 90 THR CA C 13 58.082 0.3 . 1 . . . . 90 THR CA . 19308 1 371 . 1 1 90 90 THR CB C 13 67.409 0.3 . 1 . . . . 90 THR CB . 19308 1 372 . 1 1 90 90 THR N N 15 114.979 0.3 . 1 . . . . 90 THR N . 19308 1 373 . 1 1 91 91 LEU H H 1 8.588 0.020 . 1 . . . . 91 LEU H . 19308 1 374 . 1 1 91 91 LEU C C 13 176.236 0.3 . 1 . . . . 91 LEU C . 19308 1 375 . 1 1 91 91 LEU CA C 13 56.940 0.3 . 1 . . . . 91 LEU CA . 19308 1 376 . 1 1 91 91 LEU CB C 13 38.572 0.3 . 1 . . . . 91 LEU CB . 19308 1 377 . 1 1 91 91 LEU N N 15 122.855 0.3 . 1 . . . . 91 LEU N . 19308 1 378 . 1 1 92 92 VAL H H 1 7.901 0.020 . 1 . . . . 92 VAL H . 19308 1 379 . 1 1 92 92 VAL C C 13 176.536 0.3 . 1 . . . . 92 VAL C . 19308 1 380 . 1 1 92 92 VAL CA C 13 62.936 0.3 . 1 . . . . 92 VAL CA . 19308 1 381 . 1 1 92 92 VAL CB C 13 28.674 0.3 . 1 . . . . 92 VAL CB . 19308 1 382 . 1 1 92 92 VAL N N 15 114.166 0.3 . 1 . . . . 92 VAL N . 19308 1 383 . 1 1 93 93 LYS H H 1 7.065 0.020 . 1 . . . . 93 LYS H . 19308 1 384 . 1 1 93 93 LYS C C 13 178.142 0.3 . 1 . . . . 93 LYS C . 19308 1 385 . 1 1 93 93 LYS CA C 13 56.179 0.3 . 1 . . . . 93 LYS CA . 19308 1 386 . 1 1 93 93 LYS CB C 13 29.721 0.3 . 1 . . . . 93 LYS CB . 19308 1 387 . 1 1 93 93 LYS N N 15 119.658 0.3 . 1 . . . . 93 LYS N . 19308 1 388 . 1 1 94 94 ARG H H 1 8.428 0.020 . 1 . . . . 94 ARG H . 19308 1 389 . 1 1 94 94 ARG C C 13 175.553 0.3 . 1 . . . . 94 ARG C . 19308 1 390 . 1 1 94 94 ARG CA C 13 52.562 0.3 . 1 . . . . 94 ARG CA . 19308 1 391 . 1 1 94 94 ARG CB C 13 29.530 0.3 . 1 . . . . 94 ARG CB . 19308 1 392 . 1 1 94 94 ARG N N 15 121.480 0.3 . 1 . . . . 94 ARG N . 19308 1 393 . 1 1 95 95 HIS H H 1 8.087 0.020 . 1 . . . . 95 HIS H . 19308 1 394 . 1 1 95 95 HIS C C 13 175.873 0.3 . 1 . . . . 95 HIS C . 19308 1 395 . 1 1 95 95 HIS CA C 13 55.322 0.3 . 1 . . . . 95 HIS CA . 19308 1 396 . 1 1 95 95 HIS CB C 13 27.246 0.3 . 1 . . . . 95 HIS CB . 19308 1 397 . 1 1 95 95 HIS N N 15 116.592 0.3 . 1 . . . . 95 HIS N . 19308 1 398 . 1 1 96 96 GLN H H 1 8.367 0.020 . 1 . . . . 96 GLN H . 19308 1 399 . 1 1 96 96 GLN C C 13 176.886 0.3 . 1 . . . . 96 GLN C . 19308 1 400 . 1 1 96 96 GLN CA C 13 56.274 0.3 . 1 . . . . 96 GLN CA . 19308 1 401 . 1 1 96 96 GLN CB C 13 25.438 0.3 . 1 . . . . 96 GLN CB . 19308 1 402 . 1 1 96 96 GLN N N 15 117.686 0.3 . 1 . . . . 96 GLN N . 19308 1 403 . 1 1 97 97 LEU H H 1 7.824 0.020 . 1 . . . . 97 LEU H . 19308 1 404 . 1 1 97 97 LEU C C 13 177.747 0.3 . 1 . . . . 97 LEU C . 19308 1 405 . 1 1 97 97 LEU CA C 13 55.703 0.3 . 1 . . . . 97 LEU CA . 19308 1 406 . 1 1 97 97 LEU CB C 13 39.619 0.3 . 1 . . . . 97 LEU CB . 19308 1 407 . 1 1 97 97 LEU N N 15 121.837 0.3 . 1 . . . . 97 LEU N . 19308 1 408 . 1 1 98 98 ILE H H 1 7.141 0.020 . 1 . . . . 98 ILE H . 19308 1 409 . 1 1 98 98 ILE C C 13 175.942 0.3 . 1 . . . . 98 ILE C . 19308 1 410 . 1 1 98 98 ILE CA C 13 60.937 0.3 . 1 . . . . 98 ILE CA . 19308 1 411 . 1 1 98 98 ILE CB C 13 32.957 0.3 . 1 . . . . 98 ILE CB . 19308 1 412 . 1 1 98 98 ILE N N 15 117.932 0.3 . 1 . . . . 98 ILE N . 19308 1 413 . 1 1 99 99 TYR H H 1 8.643 0.020 . 1 . . . . 99 TYR H . 19308 1 414 . 1 1 99 99 TYR C C 13 177.981 0.3 . 1 . . . . 99 TYR C . 19308 1 415 . 1 1 99 99 TYR CA C 13 59.034 0.3 . 1 . . . . 99 TYR CA . 19308 1 416 . 1 1 99 99 TYR CB C 13 34.289 0.3 . 1 . . . . 99 TYR CB . 19308 1 417 . 1 1 99 99 TYR N N 15 118.407 0.3 . 1 . . . . 99 TYR N . 19308 1 418 . 1 1 100 100 GLY H H 1 8.344 0.020 . 1 . . . . 100 GLY H . 19308 1 419 . 1 1 100 100 GLY C C 13 174.542 0.3 . 1 . . . . 100 GLY C . 19308 1 420 . 1 1 100 100 GLY CA C 13 43.997 0.3 . 1 . . . . 100 GLY CA . 19308 1 421 . 1 1 100 100 GLY N N 15 104.435 0.3 . 1 . . . . 100 GLY N . 19308 1 422 . 1 1 101 101 LEU H H 1 7.716 0.020 . 1 . . . . 101 LEU H . 19308 1 423 . 1 1 101 101 LEU C C 13 177.036 0.3 . 1 . . . . 101 LEU C . 19308 1 424 . 1 1 101 101 LEU CA C 13 53.894 0.3 . 1 . . . . 101 LEU CA . 19308 1 425 . 1 1 101 101 LEU CB C 13 40.380 0.3 . 1 . . . . 101 LEU CB . 19308 1 426 . 1 1 101 101 LEU N N 15 121.207 0.3 . 1 . . . . 101 LEU N . 19308 1 427 . 1 1 102 102 LEU H H 1 7.409 0.020 . 1 . . . . 102 LEU H . 19308 1 428 . 1 1 102 102 LEU C C 13 173.594 0.3 . 1 . . . . 102 LEU C . 19308 1 429 . 1 1 102 102 LEU CA C 13 51.039 0.3 . 1 . . . . 102 LEU CA . 19308 1 430 . 1 1 102 102 LEU CB C 13 38.952 0.3 . 1 . . . . 102 LEU CB . 19308 1 431 . 1 1 102 102 LEU N N 15 115.839 0.3 . 1 . . . . 102 LEU N . 19308 1 432 . 1 1 103 103 SER H H 1 7.862 0.020 . 1 . . . . 103 SER H . 19308 1 433 . 1 1 103 103 SER C C 13 175.995 0.3 . 1 . . . . 103 SER C . 19308 1 434 . 1 1 103 103 SER CA C 13 59.065 0.3 . 1 . . . . 103 SER CA . 19308 1 435 . 1 1 103 103 SER CB C 13 64.347 0.3 . 1 . . . . 103 SER CB . 19308 1 436 . 1 1 103 103 SER N N 15 126.115 0.3 . 1 . . . . 103 SER N . 19308 1 437 . 1 1 104 104 ASP H H 1 8.908 0.020 . 1 . . . . 104 ASP H . 19308 1 438 . 1 1 104 104 ASP C C 13 176.418 0.3 . 1 . . . . 104 ASP C . 19308 1 439 . 1 1 104 104 ASP CA C 13 54.656 0.3 . 1 . . . . 104 ASP CA . 19308 1 440 . 1 1 104 104 ASP CB C 13 36.573 0.3 . 1 . . . . 104 ASP CB . 19308 1 441 . 1 1 104 104 ASP N N 15 119.707 0.3 . 1 . . . . 104 ASP N . 19308 1 442 . 1 1 105 105 GLU H H 1 7.931 0.020 . 1 . . . . 105 GLU H . 19308 1 443 . 1 1 105 105 GLU C C 13 176.987 0.3 . 1 . . . . 105 GLU C . 19308 1 444 . 1 1 105 105 GLU CA C 13 58.748 0.3 . 1 . . . . 105 GLU CA . 19308 1 445 . 1 1 105 105 GLU CB C 13 25.152 0.3 . 1 . . . . 105 GLU CB . 19308 1 446 . 1 1 105 105 GLU N N 15 123.654 0.3 . 1 . . . . 105 GLU N . 19308 1 447 . 1 1 106 106 PHE H H 1 7.854 0.020 . 1 . . . . 106 PHE H . 19308 1 448 . 1 1 106 106 PHE C C 13 177.445 0.3 . 1 . . . . 106 PHE C . 19308 1 449 . 1 1 106 106 PHE CA C 13 59.129 0.3 . 1 . . . . 106 PHE CA . 19308 1 450 . 1 1 106 106 PHE CB C 13 35.717 0.3 . 1 . . . . 106 PHE CB . 19308 1 451 . 1 1 106 106 PHE N N 15 118.514 0.3 . 1 . . . . 106 PHE N . 19308 1 452 . 1 1 107 107 LYS H H 1 7.642 0.020 . 1 . . . . 107 LYS H . 19308 1 453 . 1 1 107 107 LYS C C 13 175.623 0.3 . 1 . . . . 107 LYS C . 19308 1 454 . 1 1 107 107 LYS CA C 13 55.798 0.3 . 1 . . . . 107 LYS CA . 19308 1 455 . 1 1 107 107 LYS CB C 13 29.435 0.3 . 1 . . . . 107 LYS CB . 19308 1 456 . 1 1 107 107 LYS N N 15 119.326 0.3 . 1 . . . . 107 LYS N . 19308 1 457 . 1 1 108 108 ALA H H 1 7.431 0.020 . 1 . . . . 108 ALA H . 19308 1 458 . 1 1 108 108 ALA C C 13 174.928 0.3 . 1 . . . . 108 ALA C . 19308 1 459 . 1 1 108 108 ALA CA C 13 49.612 0.3 . 1 . . . . 108 ALA CA . 19308 1 460 . 1 1 108 108 ALA CB C 13 16.492 0.3 . 1 . . . . 108 ALA CB . 19308 1 461 . 1 1 108 108 ALA N N 15 120.180 0.3 . 1 . . . . 108 ALA N . 19308 1 462 . 1 1 109 109 GLY H H 1 7.433 0.020 . 1 . . . . 109 GLY H . 19308 1 463 . 1 1 109 109 GLY C C 13 172.276 0.3 . 1 . . . . 109 GLY C . 19308 1 464 . 1 1 109 109 GLY CA C 13 42.569 0.3 . 1 . . . . 109 GLY CA . 19308 1 465 . 1 1 109 109 GLY N N 15 104.618 0.3 . 1 . . . . 109 GLY N . 19308 1 466 . 1 1 110 110 LEU H H 1 7.742 0.020 . 1 . . . . 110 LEU H . 19308 1 467 . 1 1 110 110 LEU C C 13 172.972 0.3 . 1 . . . . 110 LEU C . 19308 1 468 . 1 1 110 110 LEU CA C 13 53.704 0.3 . 1 . . . . 110 LEU CA . 19308 1 469 . 1 1 110 110 LEU CB C 13 39.523 0.3 . 1 . . . . 110 LEU CB . 19308 1 470 . 1 1 110 110 LEU N N 15 123.040 0.3 . 1 . . . . 110 LEU N . 19308 1 471 . 1 1 111 111 HIS H H 1 9.355 0.020 . 1 . . . . 111 HIS H . 19308 1 472 . 1 1 111 111 HIS C C 13 173.762 0.3 . 1 . . . . 111 HIS C . 19308 1 473 . 1 1 111 111 HIS CA C 13 53.990 0.3 . 1 . . . . 111 HIS CA . 19308 1 474 . 1 1 111 111 HIS CB C 13 28.484 0.3 . 1 . . . . 111 HIS CB . 19308 1 475 . 1 1 111 111 HIS N N 15 124.520 0.3 . 1 . . . . 111 HIS N . 19308 1 476 . 1 1 112 112 ALA H H 1 7.850 0.020 . 1 . . . . 112 ALA H . 19308 1 477 . 1 1 112 112 ALA C C 13 172.630 0.3 . 1 . . . . 112 ALA C . 19308 1 478 . 1 1 112 112 ALA CA C 13 49.421 0.3 . 1 . . . . 112 ALA CA . 19308 1 479 . 1 1 112 112 ALA CB C 13 20.204 0.3 . 1 . . . . 112 ALA CB . 19308 1 480 . 1 1 112 112 ALA N N 15 119.094 0.3 . 1 . . . . 112 ALA N . 19308 1 481 . 1 1 113 113 LEU H H 1 8.629 0.020 . 1 . . . . 113 LEU H . 19308 1 482 . 1 1 113 113 LEU C C 13 173.386 0.3 . 1 . . . . 113 LEU C . 19308 1 483 . 1 1 113 113 LEU CA C 13 49.802 0.3 . 1 . . . . 113 LEU CA . 19308 1 484 . 1 1 113 113 LEU CB C 13 44.092 0.3 . 1 . . . . 113 LEU CB . 19308 1 485 . 1 1 113 113 LEU N N 15 120.031 0.3 . 1 . . . . 113 LEU N . 19308 1 486 . 1 1 114 114 SER H H 1 8.512 0.020 . 1 . . . . 114 SER H . 19308 1 487 . 1 1 114 114 SER C C 13 173.379 0.3 . 1 . . . . 114 SER C . 19308 1 488 . 1 1 114 114 SER CA C 13 54.180 0.3 . 1 . . . . 114 SER CA . 19308 1 489 . 1 1 114 114 SER CB C 13 60.652 0.3 . 1 . . . . 114 SER CB . 19308 1 490 . 1 1 114 114 SER N N 15 119.633 0.3 . 1 . . . . 114 SER N . 19308 1 491 . 1 1 115 115 MET H H 1 9.041 0.020 . 1 . . . . 115 MET H . 19308 1 492 . 1 1 115 115 MET C C 13 173.368 0.3 . 1 . . . . 115 MET C . 19308 1 493 . 1 1 115 115 MET CA C 13 52.467 0.3 . 1 . . . . 115 MET CA . 19308 1 494 . 1 1 115 115 MET CB C 13 34.955 0.3 . 1 . . . . 115 MET CB . 19308 1 495 . 1 1 115 115 MET N N 15 125.147 0.3 . 1 . . . . 115 MET N . 19308 1 496 . 1 1 116 116 THR H H 1 8.589 0.020 . 1 . . . . 116 THR H . 19308 1 497 . 1 1 116 116 THR C C 13 172.454 0.3 . 1 . . . . 116 THR C . 19308 1 498 . 1 1 116 116 THR CA C 13 59.319 0.3 . 1 . . . . 116 THR CA . 19308 1 499 . 1 1 116 116 THR CB C 13 67.790 0.3 . 1 . . . . 116 THR CB . 19308 1 500 . 1 1 116 116 THR N N 15 119.136 0.3 . 1 . . . . 116 THR N . 19308 1 501 . 1 1 117 117 THR H H 1 8.994 0.020 . 1 . . . . 117 THR H . 19308 1 502 . 1 1 117 117 THR C C 13 173.469 0.3 . 1 . . . . 117 THR C . 19308 1 503 . 1 1 117 117 THR CA C 13 53.799 0.3 . 1 . . . . 117 THR CA . 19308 1 504 . 1 1 117 117 THR CB C 13 67.218 0.3 . 1 . . . . 117 THR CB . 19308 1 505 . 1 1 117 117 THR N N 15 117.467 0.3 . 1 . . . . 117 THR N . 19308 1 506 . 1 1 118 118 LYS H H 1 8.568 0.020 . 1 . . . . 118 LYS H . 19308 1 507 . 1 1 118 118 LYS C C 13 173.836 0.3 . 1 . . . . 118 LYS C . 19308 1 508 . 1 1 118 118 LYS CA C 13 52.276 0.3 . 1 . . . . 118 LYS CA . 19308 1 509 . 1 1 118 118 LYS CB C 13 34.384 0.3 . 1 . . . . 118 LYS CB . 19308 1 510 . 1 1 118 118 LYS N N 15 125.405 0.3 . 1 . . . . 118 LYS N . 19308 1 511 . 1 1 119 119 THR H H 1 8.538 0.020 . 1 . . . . 119 THR H . 19308 1 512 . 1 1 119 119 THR C C 13 173.611 0.3 . 1 . . . . 119 THR C . 19308 1 513 . 1 1 119 119 THR CA C 13 56.654 0.3 . 1 . . . . 119 THR CA . 19308 1 514 . 1 1 119 119 THR CB C 13 65.030 0.3 . 1 . . . . 119 THR CB . 19308 1 515 . 1 1 119 119 THR N N 15 112.004 0.3 . 1 . . . . 119 THR N . 19308 1 516 . 1 1 120 120 PRO C C 13 175.086 0.3 . 1 . . . . 120 PRO C . 19308 1 517 . 1 1 120 120 PRO CA C 13 64.417 0.3 . 1 . . . . 120 PRO CA . 19308 1 518 . 1 1 120 120 PRO CB C 13 30.514 0.3 . 1 . . . . 120 PRO CB . 19308 1 519 . 1 1 121 121 ALA H H 1 7.640 0.020 . 1 . . . . 121 ALA H . 19308 1 520 . 1 1 121 121 ALA C C 13 176.495 0.3 . 1 . . . . 121 ALA C . 19308 1 521 . 1 1 121 121 ALA CA C 13 49.992 0.3 . 1 . . . . 121 ALA CA . 19308 1 522 . 1 1 121 121 ALA CB C 13 16.301 0.3 . 1 . . . . 121 ALA CB . 19308 1 523 . 1 1 121 121 ALA N N 15 117.013 0.3 . 1 . . . . 121 ALA N . 19308 1 524 . 1 1 122 122 GLU H H 1 7.478 0.020 . 1 . . . . 122 GLU H . 19308 1 525 . 1 1 122 122 GLU C C 13 174.064 0.3 . 1 . . . . 122 GLU C . 19308 1 526 . 1 1 122 122 GLU CA C 13 53.419 0.3 . 1 . . . . 122 GLU CA . 19308 1 527 . 1 1 122 122 GLU CB C 13 27.722 0.3 . 1 . . . . 122 GLU CB . 19308 1 528 . 1 1 122 122 GLU N N 15 119.127 0.3 . 1 . . . . 122 GLU N . 19308 1 529 . 1 1 123 123 GLN H H 1 7.760 0.020 . 1 . . . . 123 GLN H . 19308 1 530 . 1 1 123 123 GLN C C 13 179.073 0.3 . 1 . . . . 123 GLN C . 19308 1 531 . 1 1 123 123 GLN CA C 13 55.322 0.3 . 1 . . . . 123 GLN CA . 19308 1 532 . 1 1 123 123 GLN CB C 13 27.246 0.3 . 1 . . . . 123 GLN CB . 19308 1 533 . 1 1 123 123 GLN N N 15 125.390 0.3 . 1 . . . . 123 GLN N . 19308 1 stop_ save_