################################### # 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 18243 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CANH' . . . 18243 1 2 '3D CBCANH' . . . 18243 1 3 '3D CONH' . . . 18243 1 4 '3D COcaNH' . . . 18243 1 5 '3D CAcoNH' . . . 18243 1 6 '3D CBCAcoNH' . . . 18243 1 7 '3D CONH' . . . 18243 1 8 '3D CANH' . . . 18243 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 42 42 SER H H 1 8.089 . . 1 . . . . 42 S HN . 18243 1 2 . 1 1 42 42 SER C C 13 171.505 . . 1 . . . . 42 S C . 18243 1 3 . 1 1 42 42 SER CA C 13 58.455 . . 1 . . . . 42 S CA . 18243 1 4 . 1 1 42 42 SER CB C 13 67.198 . . 1 . . . . 42 S CB . 18243 1 5 . 1 1 42 42 SER N N 15 111.739 . . 1 . . . . 42 S N . 18243 1 6 . 1 1 43 43 LYS H H 1 8.811 . . 1 . . . . 43 K HN . 18243 1 7 . 1 1 43 43 LYS C C 13 175.964 . . 1 . . . . 43 K C . 18243 1 8 . 1 1 43 43 LYS CA C 13 54.493 . . 1 . . . . 43 K CA . 18243 1 9 . 1 1 43 43 LYS N N 15 122.492 . . 1 . . . . 43 K N . 18243 1 10 . 1 1 44 44 THR H H 1 8.498 . . 1 . . . . 44 T HN . 18243 1 11 . 1 1 44 44 THR C C 13 175.470 . . 1 . . . . 44 T C . 18243 1 12 . 1 1 44 44 THR CA C 13 59.572 . . 1 . . . . 44 T CA . 18243 1 13 . 1 1 44 44 THR N N 15 113.660 . . 1 . . . . 44 T N . 18243 1 14 . 1 1 45 45 LYS H H 1 7.928 . . 1 . . . . 45 K HN . 18243 1 15 . 1 1 45 45 LYS C C 13 173.913 . . 1 . . . . 45 K C . 18243 1 16 . 1 1 45 45 LYS CA C 13 56.202 . . 1 . . . . 45 K CA . 18243 1 17 . 1 1 45 45 LYS CB C 13 36.295 . . 1 . . . . 45 K CB . 18243 1 18 . 1 1 45 45 LYS N N 15 122.925 . . 1 . . . . 45 K N . 18243 1 19 . 1 1 46 46 GLU H H 1 9.751 . . 1 . . . . 46 E HN . 18243 1 20 . 1 1 46 46 GLU C C 13 175.054 . . 1 . . . . 46 E C . 18243 1 21 . 1 1 46 46 GLU CA C 13 53.866 . . 1 . . . . 46 E CA . 18243 1 22 . 1 1 46 46 GLU CB C 13 31.641 . . 1 . . . . 46 E CB . 18243 1 23 . 1 1 46 46 GLU N N 15 126.477 . . 1 . . . . 46 E N . 18243 1 24 . 1 1 47 47 GLY H H 1 9.050 . . 1 . . . . 47 G HN . 18243 1 25 . 1 1 47 47 GLY C C 13 172.933 . . 1 . . . . 47 G C . 18243 1 26 . 1 1 47 47 GLY CA C 13 48.385 . . 1 . . . . 47 G CA . 18243 1 27 . 1 1 47 47 GLY N N 15 115.494 . . 1 . . . . 47 G N . 18243 1 28 . 1 1 48 48 VAL H H 1 8.264 . . 1 . . . . 48 V HN . 18243 1 29 . 1 1 48 48 VAL C C 13 174.686 . . 1 . . . . 48 V C . 18243 1 30 . 1 1 48 48 VAL CA C 13 59.506 . . 1 . . . . 48 V CA . 18243 1 31 . 1 1 48 48 VAL CB C 13 37.163 . . 1 . . . . 48 V CB . 18243 1 32 . 1 1 48 48 VAL N N 15 118.756 . . 1 . . . . 48 V N . 18243 1 33 . 1 1 49 49 VAL H H 1 9.125 . . 1 . . . . 49 V HN . 18243 1 34 . 1 1 49 49 VAL C C 13 174.669 . . 1 . . . . 49 V C . 18243 1 35 . 1 1 49 49 VAL CA C 13 61.302 . . 1 . . . . 49 V CA . 18243 1 36 . 1 1 49 49 VAL CB C 13 33.418 . . 1 . . . . 49 V CB . 18243 1 37 . 1 1 49 49 VAL N N 15 126.518 . . 1 . . . . 49 V N . 18243 1 38 . 1 1 52 52 VAL C C 13 174.849 . . 1 . . . . 52 V C . 18243 1 39 . 1 1 52 52 VAL CA C 13 60.796 . . 1 . . . . 52 V CA . 18243 1 40 . 1 1 53 53 ALA H H 1 9.468 . . 1 . . . . 53 A HN . 18243 1 41 . 1 1 53 53 ALA C C 13 175.861 . . 1 . . . . 53 A C . 18243 1 42 . 1 1 53 53 ALA CA C 13 49.925 . . 1 . . . . 53 A CA . 18243 1 43 . 1 1 53 53 ALA CB C 13 20.940 . . 1 . . . . 53 A CB . 18243 1 44 . 1 1 53 53 ALA N N 15 132.431 . . 1 . . . . 53 A N . 18243 1 45 . 1 1 54 54 THR H H 1 9.506 . . 1 . . . . 54 T HN . 18243 1 46 . 1 1 54 54 THR C C 13 173.073 . . 1 . . . . 54 T C . 18243 1 47 . 1 1 54 54 THR CA C 13 61.653 . . 1 . . . . 54 T CA . 18243 1 48 . 1 1 54 54 THR N N 15 121.466 . . 1 . . . . 54 T N . 18243 1 49 . 1 1 55 55 VAL H H 1 9.453 . . 1 . . . . 55 V HN . 18243 1 50 . 1 1 55 55 VAL C C 13 174.264 . . 1 . . . . 55 V C . 18243 1 51 . 1 1 55 55 VAL CA C 13 61.025 . . 1 . . . . 55 V CA . 18243 1 52 . 1 1 55 55 VAL N N 15 126.481 . . 1 . . . . 55 V N . 18243 1 53 . 1 1 59 59 THR H H 1 8.819 . . 1 . . . . 59 T HN . 18243 1 54 . 1 1 59 59 THR CA C 13 67.047 . . 1 . . . . 59 T CA . 18243 1 55 . 1 1 59 59 THR N N 15 122.633 . . 1 . . . . 59 T N . 18243 1 56 . 1 1 60 60 LYS H H 1 9.092 . . 1 . . . . 60 K HN . 18243 1 57 . 1 1 60 60 LYS CA C 13 54.900 . . 1 . . . . 60 K CA . 18243 1 58 . 1 1 60 60 LYS N N 15 120.467 . . 1 . . . . 60 K N . 18243 1 59 . 1 1 63 63 VAL CA C 13 61.002 . . 1 . . . . 63 V CA . 18243 1 60 . 1 1 64 64 THR H H 1 9.565 . . 1 . . . . 64 T HN . 18243 1 61 . 1 1 64 64 THR C C 13 172.677 . . 1 . . . . 64 T C . 18243 1 62 . 1 1 64 64 THR CA C 13 62.217 . . 1 . . . . 64 T CA . 18243 1 63 . 1 1 64 64 THR N N 15 126.511 . . 1 . . . . 64 T N . 18243 1 64 . 1 1 65 65 ASN H H 1 9.562 . . 1 . . . . 65 N HN . 18243 1 65 . 1 1 65 65 ASN C C 13 172.855 . . 1 . . . . 65 N C . 18243 1 66 . 1 1 65 65 ASN CA C 13 51.699 . . 1 . . . . 65 N CA . 18243 1 67 . 1 1 65 65 ASN CB C 13 42.656 . . 1 . . . . 65 N CB . 18243 1 68 . 1 1 65 65 ASN N N 15 125.290 . . 1 . . . . 65 N N . 18243 1 69 . 1 1 66 66 VAL H H 1 9.452 . . 1 . . . . 66 V HN . 18243 1 70 . 1 1 66 66 VAL C C 13 178.108 . . 1 . . . . 66 V C . 18243 1 71 . 1 1 66 66 VAL CA C 13 60.675 . . 1 . . . . 66 V CA . 18243 1 72 . 1 1 66 66 VAL N N 15 127.180 . . 1 . . . . 66 V N . 18243 1 73 . 1 1 67 67 GLY H H 1 9.198 . . 1 . . . . 67 G HN . 18243 1 74 . 1 1 67 67 GLY C C 13 172.760 . . 1 . . . . 67 G C . 18243 1 75 . 1 1 67 67 GLY CA C 13 46.439 . . 1 . . . . 67 G CA . 18243 1 76 . 1 1 67 67 GLY N N 15 111.288 . . 1 . . . . 67 G N . 18243 1 77 . 1 1 68 68 GLY H H 1 6.465 . . 1 . . . . 68 G HN . 18243 1 78 . 1 1 68 68 GLY C C 13 172.493 . . 1 . . . . 68 G C . 18243 1 79 . 1 1 68 68 GLY CA C 13 43.162 . . 1 . . . . 68 G CA . 18243 1 80 . 1 1 68 68 GLY N N 15 102.448 . . 1 . . . . 68 G N . 18243 1 81 . 1 1 69 69 ALA H H 1 8.769 . . 1 . . . . 69 A HN . 18243 1 82 . 1 1 69 69 ALA C C 13 175.516 . . 1 . . . . 69 A C . 18243 1 83 . 1 1 69 69 ALA CA C 13 50.247 . . 1 . . . . 69 A CA . 18243 1 84 . 1 1 69 69 ALA CB C 13 22.767 . . 1 . . . . 69 A CB . 18243 1 85 . 1 1 69 69 ALA N N 15 126.704 . . 1 . . . . 69 A N . 18243 1 86 . 1 1 70 70 VAL H H 1 8.945 . . 1 . . . . 70 V HN . 18243 1 87 . 1 1 70 70 VAL C C 13 174.789 . . 1 . . . . 70 V C . 18243 1 88 . 1 1 70 70 VAL CA C 13 59.932 . . 1 . . . . 70 V CA . 18243 1 89 . 1 1 70 70 VAL CB C 13 35.093 . . 1 . . . . 70 V CB . 18243 1 90 . 1 1 70 70 VAL N N 15 120.652 . . 1 . . . . 70 V N . 18243 1 91 . 1 1 71 71 VAL H H 1 8.865 . . 1 . . . . 71 V HN . 18243 1 92 . 1 1 71 71 VAL C C 13 176.655 . . 1 . . . . 71 V C . 18243 1 93 . 1 1 71 71 VAL CA C 13 60.986 . . 1 . . . . 71 V CA . 18243 1 94 . 1 1 71 71 VAL CB C 13 34.610 . . 1 . . . . 71 V CB . 18243 1 95 . 1 1 71 71 VAL N N 15 126.197 . . 1 . . . . 71 V N . 18243 1 96 . 1 1 72 72 THR H H 1 9.160 . . 1 . . . . 72 T HN . 18243 1 97 . 1 1 72 72 THR C C 13 175.651 . . 1 . . . . 72 T C . 18243 1 98 . 1 1 72 72 THR CA C 13 59.391 . . 1 . . . . 72 T CA . 18243 1 99 . 1 1 72 72 THR CG2 C 13 21.347 . . 1 . . . . 72 T CG2 . 18243 1 100 . 1 1 72 72 THR N N 15 115.058 . . 1 . . . . 72 T N . 18243 1 101 . 1 1 73 73 GLY H H 1 7.252 . . 1 . . . . 73 G HN . 18243 1 102 . 1 1 73 73 GLY C C 13 173.671 . . 1 . . . . 73 G C . 18243 1 103 . 1 1 73 73 GLY CA C 13 43.773 . . 1 . . . . 73 G CA . 18243 1 104 . 1 1 73 73 GLY N N 15 109.214 . . 1 . . . . 73 G N . 18243 1 105 . 1 1 74 74 VAL H H 1 8.207 . . 1 . . . . 74 V HN . 18243 1 106 . 1 1 74 74 VAL C C 13 175.273 . . 1 . . . . 74 V C . 18243 1 107 . 1 1 74 74 VAL CA C 13 61.346 . . 1 . . . . 74 V CA . 18243 1 108 . 1 1 74 74 VAL CB C 13 34.137 . . 1 . . . . 74 V CB . 18243 1 109 . 1 1 74 74 VAL N N 15 124.472 . . 1 . . . . 74 V N . 18243 1 110 . 1 1 75 75 THR H H 1 9.683 . . 1 . . . . 75 T HN . 18243 1 111 . 1 1 75 75 THR C C 13 172.185 . . 1 . . . . 75 T C . 18243 1 112 . 1 1 75 75 THR CA C 13 61.822 . . 1 . . . . 75 T CA . 18243 1 113 . 1 1 75 75 THR CG2 C 13 20.755 . . 1 . . . . 75 T CG2 . 18243 1 114 . 1 1 75 75 THR N N 15 127.817 . . 1 . . . . 75 T N . 18243 1 115 . 1 1 76 76 ALA H H 1 9.638 . . 1 . . . . 76 A HN . 18243 1 116 . 1 1 76 76 ALA C C 13 174.482 . . 1 . . . . 76 A C . 18243 1 117 . 1 1 76 76 ALA CA C 13 49.651 . . 1 . . . . 76 A CA . 18243 1 118 . 1 1 76 76 ALA CB C 13 20.788 . . 1 . . . . 76 A CB . 18243 1 119 . 1 1 76 76 ALA N N 15 130.282 . . 1 . . . . 76 A N . 18243 1 120 . 1 1 77 77 VAL H H 1 9.506 . . 1 . . . . 77 V HN . 18243 1 121 . 1 1 77 77 VAL C C 13 173.104 . . 1 . . . . 77 V C . 18243 1 122 . 1 1 77 77 VAL CA C 13 60.488 . . 1 . . . . 77 V CA . 18243 1 123 . 1 1 77 77 VAL CB C 13 35.222 . . 1 . . . . 77 V CB . 18243 1 124 . 1 1 77 77 VAL N N 15 123.995 . . 1 . . . . 77 V N . 18243 1 125 . 1 1 78 78 ALA H H 1 9.354 . . 1 . . . . 78 A HN . 18243 1 126 . 1 1 78 78 ALA C C 13 176.533 . . 1 . . . . 78 A C . 18243 1 127 . 1 1 78 78 ALA CA C 13 49.870 . . 1 . . . . 78 A CA . 18243 1 128 . 1 1 78 78 ALA CB C 13 24.337 . . 1 . . . . 78 A CB . 18243 1 129 . 1 1 78 78 ALA N N 15 129.856 . . 1 . . . . 78 A N . 18243 1 130 . 1 1 79 79 GLN H H 1 9.486 . . 1 . . . . 79 Q HN . 18243 1 131 . 1 1 79 79 GLN HE21 H 1 6.631 . . 2 . . . . 79 Q HE1 . 18243 1 132 . 1 1 79 79 GLN HE22 H 1 8.728 . . 2 . . . . 79 Q HE2 . 18243 1 133 . 1 1 79 79 GLN C C 13 176.771 . . 1 . . . . 79 Q C . 18243 1 134 . 1 1 79 79 GLN CA C 13 52.412 . . 1 . . . . 79 Q CA . 18243 1 135 . 1 1 79 79 GLN CB C 13 32.531 . . 1 . . . . 79 Q CB . 18243 1 136 . 1 1 79 79 GLN N N 15 120.279 . . 1 . . . . 79 Q N . 18243 1 137 . 1 1 79 79 GLN NE2 N 15 111.014 . . 1 . . . . 79 Q NE2 . 18243 1 138 . 1 1 80 80 LYS H H 1 8.751 . . 1 . . . . 80 K HN . 18243 1 139 . 1 1 80 80 LYS C C 13 176.163 . . 1 . . . . 80 K C . 18243 1 140 . 1 1 80 80 LYS CA C 13 60.265 . . 1 . . . . 80 K CA . 18243 1 141 . 1 1 80 80 LYS CB C 13 31.644 . . 1 . . . . 80 K CB . 18243 1 142 . 1 1 80 80 LYS CD C 13 30.535 . . 1 . . . . 80 K CD . 18243 1 143 . 1 1 80 80 LYS CE C 13 41.803 . . 1 . . . . 80 K CE . 18243 1 144 . 1 1 80 80 LYS N N 15 123.103 . . 1 . . . . 80 K N . 18243 1 145 . 1 1 81 81 THR H H 1 9.522 . . 1 . . . . 81 T HN . 18243 1 146 . 1 1 81 81 THR C C 13 173.763 . . 1 . . . . 81 T C . 18243 1 147 . 1 1 81 81 THR CA C 13 60.959 . . 1 . . . . 81 T CA . 18243 1 148 . 1 1 81 81 THR CG2 C 13 21.891 . . 1 . . . . 81 T CG2 . 18243 1 149 . 1 1 81 81 THR N N 15 113.436 . . 1 . . . . 81 T N . 18243 1 150 . 1 1 82 82 VAL H H 1 9.029 . . 1 . . . . 82 V HN . 18243 1 151 . 1 1 82 82 VAL C C 13 174.900 . . 1 . . . . 82 V C . 18243 1 152 . 1 1 82 82 VAL CA C 13 61.427 . . 1 . . . . 82 V CA . 18243 1 153 . 1 1 82 82 VAL CB C 13 33.219 . . 1 . . . . 82 V CB . 18243 1 154 . 1 1 82 82 VAL N N 15 125.973 . . 1 . . . . 82 V N . 18243 1 155 . 1 1 83 83 GLU H H 1 8.997 . . 1 . . . . 83 E HN . 18243 1 156 . 1 1 83 83 GLU C C 13 175.390 . . 1 . . . . 83 E C . 18243 1 157 . 1 1 83 83 GLU CA C 13 53.578 . . 1 . . . . 83 E CA . 18243 1 158 . 1 1 83 83 GLU CB C 13 33.219 . . 1 . . . . 83 E CB . 18243 1 159 . 1 1 83 83 GLU N N 15 125.850 . . 1 . . . . 83 E N . 18243 1 160 . 1 1 84 84 GLY H H 1 8.767 . . 1 . . . . 84 G HN . 18243 1 161 . 1 1 84 84 GLY C C 13 173.748 . . 1 . . . . 84 G C . 18243 1 162 . 1 1 84 84 GLY CA C 13 44.828 . . 1 . . . . 84 G CA . 18243 1 163 . 1 1 84 84 GLY N N 15 112.445 . . 1 . . . . 84 G N . 18243 1 164 . 1 1 85 85 ALA H H 1 9.275 . . 1 . . . . 85 A HN . 18243 1 165 . 1 1 85 85 ALA C C 13 179.437 . . 1 . . . . 85 A C . 18243 1 166 . 1 1 85 85 ALA CA C 13 53.121 . . 1 . . . . 85 A CA . 18243 1 167 . 1 1 85 85 ALA CB C 13 17.889 . . 1 . . . . 85 A CB . 18243 1 168 . 1 1 85 85 ALA N N 15 130.849 . . 1 . . . . 85 A N . 18243 1 169 . 1 1 86 86 GLY H H 1 9.169 . . 1 . . . . 86 G HN . 18243 1 170 . 1 1 86 86 GLY C C 13 174.006 . . 1 . . . . 86 G C . 18243 1 171 . 1 1 86 86 GLY CA C 13 46.521 . . 1 . . . . 86 G CA . 18243 1 172 . 1 1 86 86 GLY N N 15 110.800 . . 1 . . . . 86 G N . 18243 1 173 . 1 1 87 87 SER H H 1 7.897 . . 1 . . . . 87 S HN . 18243 1 174 . 1 1 87 87 SER C C 13 173.724 . . 1 . . . . 87 S C . 18243 1 175 . 1 1 87 87 SER CA C 13 58.662 . . 1 . . . . 87 S CA . 18243 1 176 . 1 1 87 87 SER CB C 13 64.391 . . 1 . . . . 87 S CB . 18243 1 177 . 1 1 87 87 SER N N 15 115.909 . . 1 . . . . 87 S N . 18243 1 178 . 1 1 88 88 ILE H H 1 8.528 . . 1 . . . . 88 I HN . 18243 1 179 . 1 1 88 88 ILE C C 13 175.783 . . 1 . . . . 88 I C . 18243 1 180 . 1 1 88 88 ILE CA C 13 60.049 . . 1 . . . . 88 I CA . 18243 1 181 . 1 1 88 88 ILE CB C 13 39.833 . . 1 . . . . 88 I CB . 18243 1 182 . 1 1 88 88 ILE N N 15 121.637 . . 1 . . . . 88 I N . 18243 1 183 . 1 1 89 89 ALA H H 1 9.098 . . 1 . . . . 89 A HN . 18243 1 184 . 1 1 89 89 ALA C C 13 176.808 . . 1 . . . . 89 A C . 18243 1 185 . 1 1 89 89 ALA CA C 13 54.787 . . 1 . . . . 89 A CA . 18243 1 186 . 1 1 89 89 ALA CB C 13 18.051 . . 1 . . . . 89 A CB . 18243 1 187 . 1 1 89 89 ALA N N 15 129.314 . . 1 . . . . 89 A N . 18243 1 188 . 1 1 90 90 ALA H H 1 8.821 . . 1 . . . . 90 A HN . 18243 1 189 . 1 1 90 90 ALA C C 13 174.806 . . 1 . . . . 90 A C . 18243 1 190 . 1 1 90 90 ALA CA C 13 51.190 . . 1 . . . . 90 A CA . 18243 1 191 . 1 1 90 90 ALA CB C 13 20.385 . . 1 . . . . 90 A CB . 18243 1 192 . 1 1 90 90 ALA N N 15 123.219 . . 1 . . . . 90 A N . 18243 1 193 . 1 1 91 91 ALA H H 1 9.458 . . 1 . . . . 91 A HN . 18243 1 194 . 1 1 91 91 ALA C C 13 175.697 . . 1 . . . . 91 A C . 18243 1 195 . 1 1 91 91 ALA CA C 13 49.542 . . 1 . . . . 91 A CA . 18243 1 196 . 1 1 91 91 ALA CB C 13 22.426 . . 1 . . . . 91 A CB . 18243 1 197 . 1 1 91 91 ALA N N 15 127.421 . . 1 . . . . 91 A N . 18243 1 198 . 1 1 92 92 THR H H 1 9.656 . . 1 . . . . 92 T HN . 18243 1 199 . 1 1 92 92 THR C C 13 174.698 . . 1 . . . . 92 T C . 18243 1 200 . 1 1 92 92 THR CA C 13 61.003 . . 1 . . . . 92 T CA . 18243 1 201 . 1 1 92 92 THR CG2 C 13 21.255 . . 1 . . . . 92 T CG2 . 18243 1 202 . 1 1 92 92 THR N N 15 125.611 . . 1 . . . . 92 T N . 18243 1 203 . 1 1 93 93 GLY H H 1 9.292 . . 1 . . . . 93 G HN . 18243 1 204 . 1 1 93 93 GLY C C 13 170.123 . . 1 . . . . 93 G C . 18243 1 205 . 1 1 93 93 GLY CA C 13 47.270 . . 1 . . . . 93 G CA . 18243 1 206 . 1 1 93 93 GLY N N 15 114.650 . . 1 . . . . 93 G N . 18243 1 207 . 1 1 94 94 PHE H H 1 8.648 . . 1 . . . . 94 F HN . 18243 1 208 . 1 1 94 94 PHE C C 13 173.861 . . 1 . . . . 94 F C . 18243 1 209 . 1 1 94 94 PHE CA C 13 54.439 . . 1 . . . . 94 F CA . 18243 1 210 . 1 1 94 94 PHE CB C 13 45.357 . . 1 . . . . 94 F CB . 18243 1 211 . 1 1 94 94 PHE N N 15 126.481 . . 1 . . . . 94 F N . 18243 1 212 . 1 1 95 95 VAL H H 1 8.703 . . 1 . . . . 95 V HN . 18243 1 213 . 1 1 95 95 VAL C C 13 171.505 . . 1 . . . . 95 V C . 18243 1 214 . 1 1 95 95 VAL CA C 13 61.132 . . 1 . . . . 95 V CA . 18243 1 215 . 1 1 95 95 VAL CB C 13 34.131 . . 1 . . . . 95 V CB . 18243 1 216 . 1 1 95 95 VAL N N 15 127.959 . . 1 . . . . 95 V N . 18243 1 217 . 1 1 96 96 LYS H H 1 9.980 . . 1 . . . . 96 K HN . 18243 1 218 . 1 1 96 96 LYS C C 13 173.274 . . 1 . . . . 96 K C . 18243 1 219 . 1 1 96 96 LYS CA C 13 54.901 . . 1 . . . . 96 K CA . 18243 1 220 . 1 1 96 96 LYS N N 15 133.073 . . 1 . . . . 96 K N . 18243 1 221 . 1 1 97 97 LYS H H 1 9.900 . . 1 . . . . 97 K HN . 18243 1 222 . 1 1 97 97 LYS C C 13 175.600 . . 1 . . . . 97 K C . 18243 1 223 . 1 1 97 97 LYS CA C 13 54.051 . . 1 . . . . 97 K CA . 18243 1 224 . 1 1 97 97 LYS N N 15 130.025 . . 1 . . . . 97 K N . 18243 1 stop_ save_