################################### # 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 50408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'V98A EcRNHI' _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 '3D HNCACB' . . . 50408 1 2 '3D CBCA(CO)NH' . . . 50408 1 3 '3D HNCO' . . . 50408 1 4 '3D HN(CA)CO' . . . 50408 1 5 '2D 1H-15N HSQC' . . . 50408 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 . . 50408 1 2 $software_2 . . 50408 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 3 3 LYS H H 1 8.723 . . . . . . . . 3 K H . 50408 1 2 . 1 . 1 3 3 LYS N N 15 123.5 . . . . . . . . 3 K N . 50408 1 3 . 1 . 1 4 4 GLN H H 1 8.288 . . . . . . . . 4 Q H . 50408 1 4 . 1 . 1 4 4 GLN N N 15 122.9 . . . . . . . . 4 Q N . 50408 1 5 . 1 . 1 5 5 VAL H H 1 8.822 . . . . . . . . 5 V H . 50408 1 6 . 1 . 1 5 5 VAL N N 15 122.3 . . . . . . . . 5 V N . 50408 1 7 . 1 . 1 6 6 GLU H H 1 8.615 . . . . . . . . 6 E H . 50408 1 8 . 1 . 1 6 6 GLU N N 15 124.1 . . . . . . . . 6 E N . 50408 1 9 . 1 . 1 7 7 ILE H H 1 8.587 . . . . . . . . 7 I H . 50408 1 10 . 1 . 1 7 7 ILE N N 15 121.9 . . . . . . . . 7 I N . 50408 1 11 . 1 . 1 8 8 PHE H H 1 9.156 . . . . . . . . 8 F H . 50408 1 12 . 1 . 1 8 8 PHE N N 15 128.4 . . . . . . . . 8 F N . 50408 1 13 . 1 . 1 9 9 THR H H 1 8.01 . . . . . . . . 9 T H . 50408 1 14 . 1 . 1 9 9 THR N N 15 109.5 . . . . . . . . 9 T N . 50408 1 15 . 1 . 1 10 10 ASP H H 1 9.026 . . . . . . . . 10 D H . 50408 1 16 . 1 . 1 10 10 ASP N N 15 120.2 . . . . . . . . 10 D N . 50408 1 17 . 1 . 1 11 11 GLY H H 1 8.605 . . . . . . . . 11 G H . 50408 1 18 . 1 . 1 11 11 GLY N N 15 106.6 . . . . . . . . 11 G N . 50408 1 19 . 1 . 1 12 12 SER H H 1 8.784 . . . . . . . . 12 S H . 50408 1 20 . 1 . 1 12 12 SER N N 15 113.6 . . . . . . . . 12 S N . 50408 1 21 . 1 . 1 13 13 CYS H H 1 8.437 . . . . . . . . 13 C H . 50408 1 22 . 1 . 1 13 13 CYS N N 15 123.6 . . . . . . . . 13 C N . 50408 1 23 . 1 . 1 14 14 LEU H H 1 9.033 . . . . . . . . 14 L H . 50408 1 24 . 1 . 1 14 14 LEU N N 15 128.5 . . . . . . . . 14 L N . 50408 1 25 . 1 . 1 15 15 GLY H H 1 7.837 . . . . . . . . 15 G H . 50408 1 26 . 1 . 1 15 15 GLY N N 15 107.7 . . . . . . . . 15 G N . 50408 1 27 . 1 . 1 16 16 ASN H H 1 8.244 . . . . . . . . 16 N H . 50408 1 28 . 1 . 1 16 16 ASN N N 15 116.3 . . . . . . . . 16 N N . 50408 1 29 . 1 . 1 18 18 GLY H H 1 8.3 . . . . . . . . 18 G H . 50408 1 30 . 1 . 1 18 18 GLY N N 15 105.3 . . . . . . . . 18 G N . 50408 1 31 . 1 . 1 20 20 GLY H H 1 8.96 . . . . . . . . 20 G H . 50408 1 32 . 1 . 1 20 20 GLY N N 15 108.5 . . . . . . . . 20 G N . 50408 1 33 . 1 . 1 21 21 GLY H H 1 9.037 . . . . . . . . 21 G H . 50408 1 34 . 1 . 1 21 21 GLY N N 15 106.6 . . . . . . . . 21 G N . 50408 1 35 . 1 . 1 22 22 TYR H H 1 7.866 . . . . . . . . 22 Y H . 50408 1 36 . 1 . 1 22 22 TYR N N 15 113.4 . . . . . . . . 22 Y N . 50408 1 37 . 1 . 1 23 23 GLY H H 1 8.958 . . . . . . . . 23 G H . 50408 1 38 . 1 . 1 23 23 GLY N N 15 106.2 . . . . . . . . 23 G N . 50408 1 39 . 1 . 1 24 24 ALA H H 1 9.502 . . . . . . . . 24 A H . 50408 1 40 . 1 . 1 24 24 ALA N N 15 126.1 . . . . . . . . 24 A N . 50408 1 41 . 1 . 1 25 25 ILE H H 1 9.03 . . . . . . . . 25 I H . 50408 1 42 . 1 . 1 25 25 ILE N N 15 120.9 . . . . . . . . 25 I N . 50408 1 43 . 1 . 1 26 26 LEU H H 1 9.198 . . . . . . . . 26 L H . 50408 1 44 . 1 . 1 26 26 LEU N N 15 129.1 . . . . . . . . 26 L N . 50408 1 45 . 1 . 1 27 27 ARG H H 1 9.929 . . . . . . . . 27 R H . 50408 1 46 . 1 . 1 27 27 ARG N N 15 126.6 . . . . . . . . 27 R N . 50408 1 47 . 1 . 1 28 28 TYR H H 1 8.623 . . . . . . . . 28 Y H . 50408 1 48 . 1 . 1 28 28 TYR N N 15 125.3 . . . . . . . . 28 Y N . 50408 1 49 . 1 . 1 29 29 ARG H H 1 9.368 . . . . . . . . 29 R H . 50408 1 50 . 1 . 1 29 29 ARG N N 15 127.1 . . . . . . . . 29 R N . 50408 1 51 . 1 . 1 30 30 GLY H H 1 8.717 . . . . . . . . 30 G H . 50408 1 52 . 1 . 1 30 30 GLY N N 15 105.1 . . . . . . . . 30 G N . 50408 1 53 . 1 . 1 31 31 ARG H H 1 7.962 . . . . . . . . 31 R H . 50408 1 54 . 1 . 1 31 31 ARG N N 15 121.1 . . . . . . . . 31 R N . 50408 1 55 . 1 . 1 32 32 GLU H H 1 8.726 . . . . . . . . 32 E H . 50408 1 56 . 1 . 1 32 32 GLU N N 15 122.4 . . . . . . . . 32 E N . 50408 1 57 . 1 . 1 33 33 LYS H H 1 9.198 . . . . . . . . 33 K H . 50408 1 58 . 1 . 1 33 33 LYS N N 15 125 . . . . . . . . 33 K N . 50408 1 59 . 1 . 1 34 34 THR H H 1 8.14 . . . . . . . . 34 T H . 50408 1 60 . 1 . 1 34 34 THR N N 15 114.7 . . . . . . . . 34 T N . 50408 1 61 . 1 . 1 35 35 PHE H H 1 9.294 . . . . . . . . 35 F H . 50408 1 62 . 1 . 1 35 35 PHE N N 15 120.6 . . . . . . . . 35 F N . 50408 1 63 . 1 . 1 36 36 SER H H 1 8.392 . . . . . . . . 36 S H . 50408 1 64 . 1 . 1 36 36 SER N N 15 113.9 . . . . . . . . 36 S N . 50408 1 65 . 1 . 1 37 37 ALA H H 1 6.345 . . . . . . . . 37 A H . 50408 1 66 . 1 . 1 37 37 ALA N N 15 120.7 . . . . . . . . 37 A N . 50408 1 67 . 1 . 1 38 38 GLY H H 1 8.599 . . . . . . . . 38 G H . 50408 1 68 . 1 . 1 38 38 GLY N N 15 106.3 . . . . . . . . 38 G N . 50408 1 69 . 1 . 1 39 39 TYR H H 1 9.676 . . . . . . . . 39 Y H . 50408 1 70 . 1 . 1 39 39 TYR N N 15 122.9 . . . . . . . . 39 Y N . 50408 1 71 . 1 . 1 40 40 THR H H 1 8.795 . . . . . . . . 40 T H . 50408 1 72 . 1 . 1 40 40 THR N N 15 113.5 . . . . . . . . 40 T N . 50408 1 73 . 1 . 1 41 41 ARG H H 1 7.766 . . . . . . . . 41 R H . 50408 1 74 . 1 . 1 41 41 ARG N N 15 120.1 . . . . . . . . 41 R N . 50408 1 75 . 1 . 1 42 42 THR H H 1 8.825 . . . . . . . . 42 T H . 50408 1 76 . 1 . 1 42 42 THR N N 15 125.2 . . . . . . . . 42 T N . 50408 1 77 . 1 . 1 43 43 THR H H 1 8.533 . . . . . . . . 43 T H . 50408 1 78 . 1 . 1 43 43 THR N N 15 106.5 . . . . . . . . 43 T N . 50408 1 79 . 1 . 1 44 44 ASN H H 1 9.187 . . . . . . . . 44 N H . 50408 1 80 . 1 . 1 44 44 ASN N N 15 120.7 . . . . . . . . 44 N N . 50408 1 81 . 1 . 1 45 45 ASN H H 1 8.574 . . . . . . . . 45 N H . 50408 1 82 . 1 . 1 45 45 ASN N N 15 116.5 . . . . . . . . 45 N N . 50408 1 83 . 1 . 1 46 46 ARG H H 1 7.347 . . . . . . . . 46 R H . 50408 1 84 . 1 . 1 46 46 ARG N N 15 116.5 . . . . . . . . 46 R N . 50408 1 85 . 1 . 1 47 47 MET H H 1 7.697 . . . . . . . . 47 M H . 50408 1 86 . 1 . 1 47 47 MET N N 15 118.2 . . . . . . . . 47 M N . 50408 1 87 . 1 . 1 48 48 GLU H H 1 8.413 . . . . . . . . 48 E H . 50408 1 88 . 1 . 1 48 48 GLU N N 15 119.4 . . . . . . . . 48 E N . 50408 1 89 . 1 . 1 49 49 LEU H H 1 7.245 . . . . . . . . 49 L H . 50408 1 90 . 1 . 1 49 49 LEU N N 15 116.5 . . . . . . . . 49 L N . 50408 1 91 . 1 . 1 50 50 MET H H 1 8.695 . . . . . . . . 50 M H . 50408 1 92 . 1 . 1 50 50 MET N N 15 118.9 . . . . . . . . 50 M N . 50408 1 93 . 1 . 1 51 51 ALA H H 1 7.698 . . . . . . . . 51 A H . 50408 1 94 . 1 . 1 51 51 ALA N N 15 117.1 . . . . . . . . 51 A N . 50408 1 95 . 1 . 1 52 52 ALA H H 1 6.454 . . . . . . . . 52 A H . 50408 1 96 . 1 . 1 52 52 ALA N N 15 113.9 . . . . . . . . 52 A N . 50408 1 97 . 1 . 1 53 53 ILE H H 1 7.92 . . . . . . . . 53 I H . 50408 1 98 . 1 . 1 53 53 ILE N N 15 116.7 . . . . . . . . 53 I N . 50408 1 99 . 1 . 1 54 54 VAL H H 1 8.25 . . . . . . . . 54 V H . 50408 1 100 . 1 . 1 54 54 VAL N N 15 116.9 . . . . . . . . 54 V N . 50408 1 101 . 1 . 1 55 55 ALA H H 1 6.876 . . . . . . . . 55 A H . 50408 1 102 . 1 . 1 55 55 ALA N N 15 119.5 . . . . . . . . 55 A N . 50408 1 103 . 1 . 1 56 56 LEU H H 1 7.589 . . . . . . . . 56 L H . 50408 1 104 . 1 . 1 56 56 LEU N N 15 112.8 . . . . . . . . 56 L N . 50408 1 105 . 1 . 1 57 57 GLU H H 1 8.735 . . . . . . . . 57 E H . 50408 1 106 . 1 . 1 57 57 GLU N N 15 118.6 . . . . . . . . 57 E N . 50408 1 107 . 1 . 1 58 58 ALA H H 1 7.072 . . . . . . . . 58 A H . 50408 1 108 . 1 . 1 58 58 ALA N N 15 119.7 . . . . . . . . 58 A N . 50408 1 109 . 1 . 1 59 59 LEU H H 1 7.146 . . . . . . . . 59 L H . 50408 1 110 . 1 . 1 59 59 LEU N N 15 118.3 . . . . . . . . 59 L N . 50408 1 111 . 1 . 1 60 60 LYS H H 1 8.564 . . . . . . . . 60 K H . 50408 1 112 . 1 . 1 60 60 LYS N N 15 122.1 . . . . . . . . 60 K N . 50408 1 113 . 1 . 1 61 61 GLU H H 1 7.647 . . . . . . . . 61 E H . 50408 1 114 . 1 . 1 61 61 GLU N N 15 116.6 . . . . . . . . 61 E N . 50408 1 115 . 1 . 1 62 62 HIS H H 1 8.462 . . . . . . . . 62 H H . 50408 1 116 . 1 . 1 62 62 HIS N N 15 119.3 . . . . . . . . 62 H N . 50408 1 117 . 1 . 1 64 64 GLU H H 1 8.773 . . . . . . . . 64 E H . 50408 1 118 . 1 . 1 64 64 GLU N N 15 122.7 . . . . . . . . 64 E N . 50408 1 119 . 1 . 1 65 65 VAL H H 1 8.83 . . . . . . . . 65 V H . 50408 1 120 . 1 . 1 65 65 VAL N N 15 125.7 . . . . . . . . 65 V N . 50408 1 121 . 1 . 1 66 66 ILE H H 1 8.215 . . . . . . . . 66 I H . 50408 1 122 . 1 . 1 66 66 ILE N N 15 127.6 . . . . . . . . 66 I N . 50408 1 123 . 1 . 1 67 67 LEU H H 1 8.562 . . . . . . . . 67 L H . 50408 1 124 . 1 . 1 67 67 LEU N N 15 134.4 . . . . . . . . 67 L N . 50408 1 125 . 1 . 1 68 68 SER H H 1 8.725 . . . . . . . . 68 S H . 50408 1 126 . 1 . 1 68 68 SER N N 15 120.9 . . . . . . . . 68 S N . 50408 1 127 . 1 . 1 69 69 THR H H 1 8.503 . . . . . . . . 69 T H . 50408 1 128 . 1 . 1 69 69 THR N N 15 119.7 . . . . . . . . 69 T N . 50408 1 129 . 1 . 1 70 70 ASP H H 1 8.93 . . . . . . . . 70 D H . 50408 1 130 . 1 . 1 70 70 ASP N N 15 127.6 . . . . . . . . 70 D N . 50408 1 131 . 1 . 1 71 71 SER H H 1 8.31 . . . . . . . . 71 S H . 50408 1 132 . 1 . 1 71 71 SER N N 15 115.5 . . . . . . . . 71 S N . 50408 1 133 . 1 . 1 72 72 GLN H H 1 9.372 . . . . . . . . 72 Q H . 50408 1 134 . 1 . 1 72 72 GLN N N 15 132.7 . . . . . . . . 72 Q N . 50408 1 135 . 1 . 1 73 73 TYR H H 1 8.725 . . . . . . . . 73 Y H . 50408 1 136 . 1 . 1 73 73 TYR N N 15 123.6 . . . . . . . . 73 Y N . 50408 1 137 . 1 . 1 74 74 VAL H H 1 8.021 . . . . . . . . 74 V H . 50408 1 138 . 1 . 1 74 74 VAL N N 15 117.5 . . . . . . . . 74 V N . 50408 1 139 . 1 . 1 75 75 ARG H H 1 6.954 . . . . . . . . 75 R H . 50408 1 140 . 1 . 1 75 75 ARG N N 15 117.7 . . . . . . . . 75 R N . 50408 1 141 . 1 . 1 76 76 GLN H H 1 8.102 . . . . . . . . 76 Q H . 50408 1 142 . 1 . 1 76 76 GLN N N 15 120.6 . . . . . . . . 76 Q N . 50408 1 143 . 1 . 1 77 77 GLY H H 1 7.67 . . . . . . . . 77 G H . 50408 1 144 . 1 . 1 77 77 GLY N N 15 106.7 . . . . . . . . 77 G N . 50408 1 145 . 1 . 1 78 78 ILE H H 1 8.316 . . . . . . . . 78 I H . 50408 1 146 . 1 . 1 78 78 ILE N N 15 120.4 . . . . . . . . 78 I N . 50408 1 147 . 1 . 1 79 79 THR H H 1 7.714 . . . . . . . . 79 T H . 50408 1 148 . 1 . 1 79 79 THR N N 15 107.9 . . . . . . . . 79 T N . 50408 1 149 . 1 . 1 80 80 GLN H H 1 7.531 . . . . . . . . 80 Q H . 50408 1 150 . 1 . 1 80 80 GLN N N 15 117.6 . . . . . . . . 80 Q N . 50408 1 151 . 1 . 1 81 81 TRP H H 1 7.189 . . . . . . . . 81 W H . 50408 1 152 . 1 . 1 81 81 TRP N N 15 118.4 . . . . . . . . 81 W N . 50408 1 153 . 1 . 1 82 82 ILE H H 1 8.387 . . . . . . . . 82 I H . 50408 1 154 . 1 . 1 82 82 ILE N N 15 117.8 . . . . . . . . 82 I N . 50408 1 155 . 1 . 1 83 83 HIS H H 1 8.081 . . . . . . . . 83 H H . 50408 1 156 . 1 . 1 83 83 HIS N N 15 118.4 . . . . . . . . 83 H N . 50408 1 157 . 1 . 1 84 84 ASN H H 1 7.459 . . . . . . . . 84 N H . 50408 1 158 . 1 . 1 84 84 ASN N N 15 117.4 . . . . . . . . 84 N N . 50408 1 159 . 1 . 1 85 85 TRP H H 1 8.131 . . . . . . . . 85 W H . 50408 1 160 . 1 . 1 85 85 TRP N N 15 120.4 . . . . . . . . 85 W N . 50408 1 161 . 1 . 1 86 86 LYS H H 1 8.093 . . . . . . . . 86 K H . 50408 1 162 . 1 . 1 86 86 LYS N N 15 119.1 . . . . . . . . 86 K N . 50408 1 163 . 1 . 1 87 87 LYS H H 1 7.303 . . . . . . . . 87 K H . 50408 1 164 . 1 . 1 87 87 LYS N N 15 118.3 . . . . . . . . 87 K N . 50408 1 165 . 1 . 1 88 88 ARG H H 1 7.389 . . . . . . . . 88 R H . 50408 1 166 . 1 . 1 88 88 ARG N N 15 117 . . . . . . . . 88 R N . 50408 1 167 . 1 . 1 89 89 GLY H H 1 7.843 . . . . . . . . 89 G H . 50408 1 168 . 1 . 1 89 89 GLY N N 15 109.6 . . . . . . . . 89 G N . 50408 1 169 . 1 . 1 90 90 TRP H H 1 8.201 . . . . . . . . 90 W H . 50408 1 170 . 1 . 1 90 90 TRP N N 15 114.3 . . . . . . . . 90 W N . 50408 1 171 . 1 . 1 91 91 LYS H H 1 7.077 . . . . . . . . 91 K H . 50408 1 172 . 1 . 1 91 91 LYS N N 15 117.6 . . . . . . . . 91 K N . 50408 1 173 . 1 . 1 92 92 THR H H 1 8.658 . . . . . . . . 92 T H . 50408 1 174 . 1 . 1 92 92 THR N N 15 110.8 . . . . . . . . 92 T N . 50408 1 175 . 1 . 1 93 93 ALA H H 1 8.899 . . . . . . . . 93 A H . 50408 1 176 . 1 . 1 93 93 ALA N N 15 124.1 . . . . . . . . 93 A N . 50408 1 177 . 1 . 1 94 94 ASP H H 1 8.023 . . . . . . . . 94 D H . 50408 1 178 . 1 . 1 94 94 ASP N N 15 115.6 . . . . . . . . 94 D N . 50408 1 179 . 1 . 1 95 95 LYS H H 1 8.083 . . . . . . . . 95 K H . 50408 1 180 . 1 . 1 95 95 LYS N N 15 113.8 . . . . . . . . 95 K N . 50408 1 181 . 1 . 1 96 96 LYS H H 1 7.599 . . . . . . . . 96 K H . 50408 1 182 . 1 . 1 96 96 LYS N N 15 120 . . . . . . . . 96 K N . 50408 1 183 . 1 . 1 98 98 ALA H H 1 7.679 . . . . . . . . 98 A H . 50408 1 184 . 1 . 1 98 98 ALA N N 15 124.7 . . . . . . . . 98 A N . 50408 1 185 . 1 . 1 99 99 LYS H H 1 8.198 . . . . . . . . 99 K H . 50408 1 186 . 1 . 1 99 99 LYS N N 15 121.8 . . . . . . . . 99 K N . 50408 1 187 . 1 . 1 100 100 ASN H H 1 9.299 . . . . . . . . 100 N H . 50408 1 188 . 1 . 1 100 100 ASN N N 15 114.9 . . . . . . . . 100 N N . 50408 1 189 . 1 . 1 101 101 VAL H H 1 7.824 . . . . . . . . 101 V H . 50408 1 190 . 1 . 1 101 101 VAL N N 15 118.7 . . . . . . . . 101 V N . 50408 1 191 . 1 . 1 102 102 ASP H H 1 8.712 . . . . . . . . 102 D H . 50408 1 192 . 1 . 1 102 102 ASP N N 15 119.2 . . . . . . . . 102 D N . 50408 1 193 . 1 . 1 103 103 LEU H H 1 7.272 . . . . . . . . 103 L H . 50408 1 194 . 1 . 1 103 103 LEU N N 15 118.9 . . . . . . . . 103 L N . 50408 1 195 . 1 . 1 104 104 TRP H H 1 8.538 . . . . . . . . 104 W H . 50408 1 196 . 1 . 1 104 104 TRP N N 15 121.2 . . . . . . . . 104 W N . 50408 1 197 . 1 . 1 105 105 GLN H H 1 8.44 . . . . . . . . 105 Q H . 50408 1 198 . 1 . 1 105 105 GLN N N 15 116.4 . . . . . . . . 105 Q N . 50408 1 199 . 1 . 1 106 106 ARG H H 1 6.981 . . . . . . . . 106 R H . 50408 1 200 . 1 . 1 106 106 ARG N N 15 121.1 . . . . . . . . 106 R N . 50408 1 201 . 1 . 1 107 107 LEU H H 1 8.73 . . . . . . . . 107 L H . 50408 1 202 . 1 . 1 107 107 LEU N N 15 121.7 . . . . . . . . 107 L N . 50408 1 203 . 1 . 1 108 108 ASP H H 1 8.743 . . . . . . . . 108 D H . 50408 1 204 . 1 . 1 108 108 ASP N N 15 118.5 . . . . . . . . 108 D N . 50408 1 205 . 1 . 1 109 109 ALA H H 1 7.832 . . . . . . . . 109 A H . 50408 1 206 . 1 . 1 109 109 ALA N N 15 119.3 . . . . . . . . 109 A N . 50408 1 207 . 1 . 1 110 110 ALA H H 1 7.62 . . . . . . . . 110 A H . 50408 1 208 . 1 . 1 110 110 ALA N N 15 121 . . . . . . . . 110 A N . 50408 1 209 . 1 . 1 111 111 LEU H H 1 8.694 . . . . . . . . 111 L H . 50408 1 210 . 1 . 1 111 111 LEU N N 15 117.6 . . . . . . . . 111 L N . 50408 1 211 . 1 . 1 112 112 GLY H H 1 7.534 . . . . . . . . 112 G H . 50408 1 212 . 1 . 1 112 112 GLY N N 15 101.7 . . . . . . . . 112 G N . 50408 1 213 . 1 . 1 113 113 GLN H H 1 7.522 . . . . . . . . 113 Q H . 50408 1 214 . 1 . 1 113 113 GLN N N 15 117.3 . . . . . . . . 113 Q N . 50408 1 215 . 1 . 1 115 115 GLN H H 1 8.458 . . . . . . . . 115 Q H . 50408 1 216 . 1 . 1 115 115 GLN N N 15 121 . . . . . . . . 115 Q N . 50408 1 217 . 1 . 1 116 116 ILE H H 1 8.567 . . . . . . . . 116 I H . 50408 1 218 . 1 . 1 116 116 ILE N N 15 125.9 . . . . . . . . 116 I N . 50408 1 219 . 1 . 1 117 117 LYS H H 1 8.752 . . . . . . . . 117 K H . 50408 1 220 . 1 . 1 117 117 LYS N N 15 129.8 . . . . . . . . 117 K N . 50408 1 221 . 1 . 1 118 118 TRP H H 1 8.267 . . . . . . . . 118 W H . 50408 1 222 . 1 . 1 118 118 TRP N N 15 126.1 . . . . . . . . 118 W N . 50408 1 223 . 1 . 1 119 119 GLU H H 1 8.941 . . . . . . . . 119 E H . 50408 1 224 . 1 . 1 119 119 GLU N N 15 126.6 . . . . . . . . 119 E N . 50408 1 225 . 1 . 1 120 120 TRP H H 1 7.921 . . . . . . . . 120 W H . 50408 1 226 . 1 . 1 120 120 TRP N N 15 125.9 . . . . . . . . 120 W N . 50408 1 227 . 1 . 1 121 121 VAL H H 1 8.023 . . . . . . . . 121 V H . 50408 1 228 . 1 . 1 121 121 VAL N N 15 123.6 . . . . . . . . 121 V N . 50408 1 229 . 1 . 1 122 122 LYS H H 1 8.468 . . . . . . . . 122 K H . 50408 1 230 . 1 . 1 122 122 LYS N N 15 124.4 . . . . . . . . 122 K N . 50408 1 231 . 1 . 1 123 123 GLY H H 1 8.449 . . . . . . . . 123 G H . 50408 1 232 . 1 . 1 123 123 GLY N N 15 111.4 . . . . . . . . 123 G N . 50408 1 233 . 1 . 1 124 124 HIS H H 1 8.573 . . . . . . . . 124 H H . 50408 1 234 . 1 . 1 124 124 HIS N N 15 116.6 . . . . . . . . 124 H N . 50408 1 235 . 1 . 1 125 125 ALA H H 1 8.126 . . . . . . . . 125 A H . 50408 1 236 . 1 . 1 125 125 ALA N N 15 123.7 . . . . . . . . 125 A N . 50408 1 237 . 1 . 1 126 126 GLY H H 1 8.649 . . . . . . . . 126 G H . 50408 1 238 . 1 . 1 126 126 GLY N N 15 109.8 . . . . . . . . 126 G N . 50408 1 239 . 1 . 1 127 127 HIS H H 1 8.377 . . . . . . . . 127 H H . 50408 1 240 . 1 . 1 127 127 HIS N N 15 118.5 . . . . . . . . 127 H N . 50408 1 241 . 1 . 1 129 129 GLU H H 1 9.301 . . . . . . . . 129 E H . 50408 1 242 . 1 . 1 129 129 GLU N N 15 117.8 . . . . . . . . 129 E N . 50408 1 243 . 1 . 1 130 130 ASN H H 1 7.628 . . . . . . . . 130 N H . 50408 1 244 . 1 . 1 130 130 ASN N N 15 117.2 . . . . . . . . 130 N N . 50408 1 245 . 1 . 1 131 131 GLU H H 1 7.823 . . . . . . . . 131 E H . 50408 1 246 . 1 . 1 131 131 GLU N N 15 120.2 . . . . . . . . 131 E N . 50408 1 247 . 1 . 1 132 132 ARG H H 1 7.999 . . . . . . . . 132 R H . 50408 1 248 . 1 . 1 132 132 ARG N N 15 119.9 . . . . . . . . 132 R N . 50408 1 249 . 1 . 1 133 133 CYS H H 1 8.103 . . . . . . . . 133 C H . 50408 1 250 . 1 . 1 133 133 CYS N N 15 117.9 . . . . . . . . 133 C N . 50408 1 251 . 1 . 1 134 134 ASP H H 1 7.782 . . . . . . . . 134 D H . 50408 1 252 . 1 . 1 134 134 ASP N N 15 120.7 . . . . . . . . 134 D N . 50408 1 253 . 1 . 1 135 135 GLU H H 1 7.821 . . . . . . . . 135 E H . 50408 1 254 . 1 . 1 135 135 GLU N N 15 119.1 . . . . . . . . 135 E N . 50408 1 255 . 1 . 1 136 136 LEU H H 1 8.28 . . . . . . . . 136 L H . 50408 1 256 . 1 . 1 136 136 LEU N N 15 120.3 . . . . . . . . 136 L N . 50408 1 257 . 1 . 1 137 137 ALA H H 1 8.316 . . . . . . . . 137 A H . 50408 1 258 . 1 . 1 137 137 ALA N N 15 122.7 . . . . . . . . 137 A N . 50408 1 259 . 1 . 1 138 138 ARG H H 1 8.21 . . . . . . . . 138 R H . 50408 1 260 . 1 . 1 138 138 ARG N N 15 116.6 . . . . . . . . 138 R N . 50408 1 261 . 1 . 1 139 139 ALA H H 1 7.864 . . . . . . . . 139 A H . 50408 1 262 . 1 . 1 139 139 ALA N N 15 120.5 . . . . . . . . 139 A N . 50408 1 263 . 1 . 1 140 140 ALA H H 1 7.861 . . . . . . . . 140 A H . 50408 1 264 . 1 . 1 140 140 ALA N N 15 121.8 . . . . . . . . 140 A N . 50408 1 265 . 1 . 1 141 141 ALA H H 1 7.757 . . . . . . . . 141 A H . 50408 1 266 . 1 . 1 141 141 ALA N N 15 119.3 . . . . . . . . 141 A N . 50408 1 267 . 1 . 1 142 142 MET H H 1 7.079 . . . . . . . . 142 M H . 50408 1 268 . 1 . 1 142 142 MET N N 15 111 . . . . . . . . 142 M N . 50408 1 269 . 1 . 1 143 143 ASN H H 1 7.4 . . . . . . . . 143 N H . 50408 1 270 . 1 . 1 143 143 ASN N N 15 117 . . . . . . . . 143 N N . 50408 1 271 . 1 . 1 145 145 THR H H 1 7.472 . . . . . . . . 145 T H . 50408 1 272 . 1 . 1 145 145 THR N N 15 108.6 . . . . . . . . 145 T N . 50408 1 273 . 1 . 1 146 146 LEU H H 1 8.062 . . . . . . . . 146 L H . 50408 1 274 . 1 . 1 146 146 LEU N N 15 123.5 . . . . . . . . 146 L N . 50408 1 275 . 1 . 1 147 147 GLU H H 1 8.351 . . . . . . . . 147 E H . 50408 1 276 . 1 . 1 147 147 GLU N N 15 118 . . . . . . . . 147 E N . 50408 1 277 . 1 . 1 148 148 ASP H H 1 10.03 . . . . . . . . 148 D H . 50408 1 278 . 1 . 1 148 148 ASP N N 15 125.7 . . . . . . . . 148 D N . 50408 1 279 . 1 . 1 149 149 THR H H 1 7.857 . . . . . . . . 149 T H . 50408 1 280 . 1 . 1 149 149 THR N N 15 116.6 . . . . . . . . 149 T N . 50408 1 281 . 1 . 1 150 150 GLY H H 1 8.019 . . . . . . . . 150 G H . 50408 1 282 . 1 . 1 150 150 GLY N N 15 106.8 . . . . . . . . 150 G N . 50408 1 283 . 1 . 1 151 151 TYR H H 1 7.239 . . . . . . . . 151 Y H . 50408 1 284 . 1 . 1 151 151 TYR N N 15 121.4 . . . . . . . . 151 Y N . 50408 1 285 . 1 . 1 152 152 GLN H H 1 7.578 . . . . . . . . 152 Q H . 50408 1 286 . 1 . 1 152 152 GLN N N 15 126.1 . . . . . . . . 152 Q N . 50408 1 287 . 1 . 1 153 153 VAL H H 1 7.863 . . . . . . . . 153 V H . 50408 1 288 . 1 . 1 153 153 VAL N N 15 120.7 . . . . . . . . 153 V N . 50408 1 289 . 1 . 1 154 154 GLU H H 1 8.247 . . . . . . . . 154 E H . 50408 1 290 . 1 . 1 154 154 GLU N N 15 125.4 . . . . . . . . 154 E N . 50408 1 291 . 1 . 1 155 155 VAL H H 1 7.739 . . . . . . . . 155 V H . 50408 1 292 . 1 . 1 155 155 VAL N N 15 125.5 . . . . . . . . 155 V N . 50408 1 stop_ save_