################################### # 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 50773 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift name' _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' . . . 50773 1 2 '3D 1H-15N NOESY' . . . 50773 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 . . 50773 1 2 $software_2 . . 50773 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 THR H H 1 8.641 0.020 . 1 . . . . . 4 THR H . 50773 1 2 . 1 . 1 4 4 THR N N 15 122.770 0.3 . 1 . . . . . 4 THR N . 50773 1 3 . 1 . 1 5 5 GLU H H 1 8.394 0.020 . 1 . . . . . 5 GLU H . 50773 1 4 . 1 . 1 5 5 GLU N N 15 126.830 0.3 . 1 . . . . . 5 GLU N . 50773 1 5 . 1 . 1 6 6 TYR H H 1 8.735 0.020 . 1 . . . . . 6 TYR H . 50773 1 6 . 1 . 1 6 6 TYR N N 15 122.219 0.3 . 1 . . . . . 6 TYR N . 50773 1 7 . 1 . 1 7 7 LYS H H 1 9.166 0.020 . 1 . . . . . 7 LYS H . 50773 1 8 . 1 . 1 7 7 LYS N N 15 123.686 0.3 . 1 . . . . . 7 LYS N . 50773 1 9 . 1 . 1 8 8 LEU H H 1 9.308 0.020 . 1 . . . . . 8 LEU H . 50773 1 10 . 1 . 1 8 8 LEU N N 15 126.208 0.3 . 1 . . . . . 8 LEU N . 50773 1 11 . 1 . 1 11 11 VAL H H 1 9.094 0.020 . 1 . . . . . 11 VAL H . 50773 1 12 . 1 . 1 11 11 VAL N N 15 120.192 0.3 . 1 . . . . . 11 VAL N . 50773 1 13 . 1 . 1 12 12 GLY H H 1 7.758 0.020 . 1 . . . . . 12 GLY H . 50773 1 14 . 1 . 1 12 12 GLY N N 15 108.002 0.3 . 1 . . . . . 12 GLY N . 50773 1 15 . 1 . 1 14 14 VAL H H 1 8.489 0.020 . 1 . . . . . 14 VAL H . 50773 1 16 . 1 . 1 14 14 VAL N N 15 120.268 0.3 . 1 . . . . . 14 VAL N . 50773 1 17 . 1 . 1 15 15 GLY H H 1 8.824 0.020 . 1 . . . . . 15 GLY H . 50773 1 18 . 1 . 1 15 15 GLY N N 15 114.314 0.3 . 1 . . . . . 15 GLY N . 50773 1 19 . 1 . 1 16 16 VAL H H 1 7.430 0.020 . 1 . . . . . 16 VAL H . 50773 1 20 . 1 . 1 16 16 VAL N N 15 112.563 0.3 . 1 . . . . . 16 VAL N . 50773 1 21 . 1 . 1 17 17 GLY H H 1 8.518 0.020 . 1 . . . . . 17 GLY H . 50773 1 22 . 1 . 1 17 17 GLY N N 15 107.879 0.3 . 1 . . . . . 17 GLY N . 50773 1 23 . 1 . 1 18 18 LYS H H 1 8.935 0.020 . 1 . . . . . 18 LYS H . 50773 1 24 . 1 . 1 18 18 LYS N N 15 122.784 0.3 . 1 . . . . . 18 LYS N . 50773 1 25 . 1 . 1 19 19 SER H H 1 9.262 0.020 . 1 . . . . . 19 SER H . 50773 1 26 . 1 . 1 19 19 SER N N 15 120.141 0.3 . 1 . . . . . 19 SER N . 50773 1 27 . 1 . 1 20 20 ALA H H 1 9.878 0.020 . 1 . . . . . 20 ALA H . 50773 1 28 . 1 . 1 20 20 ALA N N 15 126.044 0.3 . 1 . . . . . 20 ALA N . 50773 1 29 . 1 . 1 21 21 LEU H H 1 8.916 0.020 . 1 . . . . . 21 LEU H . 50773 1 30 . 1 . 1 21 21 LEU N N 15 120.228 0.3 . 1 . . . . . 21 LEU N . 50773 1 31 . 1 . 1 23 23 ILE H H 1 9.326 0.020 . 1 . . . . . 23 ILE H . 50773 1 32 . 1 . 1 23 23 ILE N N 15 121.316 0.3 . 1 . . . . . 23 ILE N . 50773 1 33 . 1 . 1 25 25 LEU H H 1 7.629 0.020 . 1 . . . . . 25 LEU H . 50773 1 34 . 1 . 1 25 25 LEU N N 15 120.706 0.3 . 1 . . . . . 25 LEU N . 50773 1 35 . 1 . 1 26 26 ILE H H 1 8.154 0.020 . 1 . . . . . 26 ILE H . 50773 1 36 . 1 . 1 26 26 ILE N N 15 113.999 0.3 . 1 . . . . . 26 ILE N . 50773 1 37 . 1 . 1 27 27 GLN H H 1 8.992 0.020 . 1 . . . . . 27 GLN H . 50773 1 38 . 1 . 1 27 27 GLN N N 15 116.363 0.3 . 1 . . . . . 27 GLN N . 50773 1 39 . 1 . 1 28 28 ASN H H 1 8.060 0.020 . 1 . . . . . 28 ASN H . 50773 1 40 . 1 . 1 28 28 ASN N N 15 116.824 0.3 . 1 . . . . . 28 ASN N . 50773 1 41 . 1 . 1 31 31 VAL H H 1 7.810 0.020 . 1 . . . . . 31 VAL H . 50773 1 42 . 1 . 1 31 31 VAL N N 15 128.634 0.3 . 1 . . . . . 31 VAL N . 50773 1 43 . 1 . 1 34 34 TYR H H 1 8.887 0.020 . 1 . . . . . 34 TYR H . 50773 1 44 . 1 . 1 34 34 TYR N N 15 126.905 0.3 . 1 . . . . . 34 TYR N . 50773 1 45 . 1 . 1 37 37 THR H H 1 9.489 0.020 . 1 . . . . . 37 THR H . 50773 1 46 . 1 . 1 37 37 THR N N 15 112.926 0.3 . 1 . . . . . 37 THR N . 50773 1 47 . 1 . 1 41 41 SER H H 1 8.199 0.020 . 1 . . . . . 41 SER H . 50773 1 48 . 1 . 1 41 41 SER N N 15 114.340 0.3 . 1 . . . . . 41 SER N . 50773 1 49 . 1 . 1 42 42 TYR H H 1 9.089 0.020 . 1 . . . . . 42 TYR H . 50773 1 50 . 1 . 1 42 42 TYR N N 15 121.436 0.3 . 1 . . . . . 42 TYR N . 50773 1 51 . 1 . 1 43 43 ARG H H 1 8.617 0.020 . 1 . . . . . 43 ARG H . 50773 1 52 . 1 . 1 43 43 ARG N N 15 120.583 0.3 . 1 . . . . . 43 ARG N . 50773 1 53 . 1 . 1 44 44 LYS H H 1 8.718 0.020 . 1 . . . . . 44 LYS H . 50773 1 54 . 1 . 1 44 44 LYS N N 15 122.808 0.3 . 1 . . . . . 44 LYS N . 50773 1 55 . 1 . 1 45 45 GLN H H 1 8.921 0.020 . 1 . . . . . 45 GLN H . 50773 1 56 . 1 . 1 45 45 GLN N N 15 129.225 0.3 . 1 . . . . . 45 GLN N . 50773 1 57 . 1 . 1 47 47 VAL H H 1 8.175 0.020 . 1 . . . . . 47 VAL H . 50773 1 58 . 1 . 1 47 47 VAL N N 15 122.481 0.3 . 1 . . . . . 47 VAL N . 50773 1 59 . 1 . 1 48 48 ILE H H 1 8.370 0.020 . 1 . . . . . 48 ILE H . 50773 1 60 . 1 . 1 48 48 ILE N N 15 126.028 0.3 . 1 . . . . . 48 ILE N . 50773 1 61 . 1 . 1 49 49 ASP H H 1 9.574 0.020 . 1 . . . . . 49 ASP H . 50773 1 62 . 1 . 1 49 49 ASP N N 15 130.313 0.3 . 1 . . . . . 49 ASP N . 50773 1 63 . 1 . 1 50 50 GLY H H 1 8.343 0.020 . 1 . . . . . 50 GLY H . 50773 1 64 . 1 . 1 50 50 GLY N N 15 103.423 0.3 . 1 . . . . . 50 GLY N . 50773 1 65 . 1 . 1 51 51 GLU H H 1 7.731 0.020 . 1 . . . . . 51 GLU H . 50773 1 66 . 1 . 1 51 51 GLU N N 15 122.616 0.3 . 1 . . . . . 51 GLU N . 50773 1 67 . 1 . 1 52 52 THR H H 1 9.071 0.020 . 1 . . . . . 52 THR H . 50773 1 68 . 1 . 1 52 52 THR N N 15 125.654 0.3 . 1 . . . . . 52 THR N . 50773 1 69 . 1 . 1 53 53 CYS H H 1 9.404 0.020 . 1 . . . . . 53 CYS H . 50773 1 70 . 1 . 1 53 53 CYS N N 15 125.221 0.3 . 1 . . . . . 53 CYS N . 50773 1 71 . 1 . 1 54 54 LEU H H 1 8.855 0.020 . 1 . . . . . 54 LEU H . 50773 1 72 . 1 . 1 54 54 LEU N N 15 122.848 0.3 . 1 . . . . . 54 LEU N . 50773 1 73 . 1 . 1 55 55 LEU H H 1 9.174 0.020 . 1 . . . . . 55 LEU H . 50773 1 74 . 1 . 1 55 55 LEU N N 15 123.790 0.3 . 1 . . . . . 55 LEU N . 50773 1 75 . 1 . 1 76 76 THR H H 1 7.650 0.020 . 1 . . . . . 76 THR H . 50773 1 76 . 1 . 1 76 76 THR N N 15 108.571 0.3 . 1 . . . . . 76 THR N . 50773 1 77 . 1 . 1 77 77 GLY H H 1 7.884 0.020 . 1 . . . . . 77 GLY H . 50773 1 78 . 1 . 1 77 77 GLY N N 15 107.987 0.3 . 1 . . . . . 77 GLY N . 50773 1 79 . 1 . 1 79 79 GLY H H 1 7.235 0.020 . 1 . . . . . 79 GLY H . 50773 1 80 . 1 . 1 79 79 GLY N N 15 101.065 0.3 . 1 . . . . . 79 GLY N . 50773 1 81 . 1 . 1 80 80 PHE H H 1 8.168 0.020 . 1 . . . . . 80 PHE H . 50773 1 82 . 1 . 1 80 80 PHE N N 15 121.077 0.3 . 1 . . . . . 80 PHE N . 50773 1 83 . 1 . 1 81 81 LEU H H 1 9.290 0.020 . 1 . . . . . 81 LEU H . 50773 1 84 . 1 . 1 81 81 LEU N N 15 127.951 0.3 . 1 . . . . . 81 LEU N . 50773 1 85 . 1 . 1 82 82 CYS H H 1 8.795 0.020 . 1 . . . . . 82 CYS H . 50773 1 86 . 1 . 1 82 82 CYS N N 15 124.991 0.3 . 1 . . . . . 82 CYS N . 50773 1 87 . 1 . 1 83 83 VAL H H 1 9.099 0.020 . 1 . . . . . 83 VAL H . 50773 1 88 . 1 . 1 83 83 VAL N N 15 126.267 0.3 . 1 . . . . . 83 VAL N . 50773 1 89 . 1 . 1 84 84 PHE H H 1 9.350 0.020 . 1 . . . . . 84 PHE H . 50773 1 90 . 1 . 1 84 84 PHE N N 15 123.804 0.3 . 1 . . . . . 84 PHE N . 50773 1 91 . 1 . 1 85 85 ALA H H 1 8.776 0.020 . 1 . . . . . 85 ALA H . 50773 1 92 . 1 . 1 85 85 ALA N N 15 121.491 0.3 . 1 . . . . . 85 ALA N . 50773 1 93 . 1 . 1 86 86 ILE H H 1 8.563 0.020 . 1 . . . . . 86 ILE H . 50773 1 94 . 1 . 1 86 86 ILE N N 15 113.615 0.3 . 1 . . . . . 86 ILE N . 50773 1 95 . 1 . 1 87 87 ASN H H 1 7.933 0.020 . 1 . . . . . 87 ASN H . 50773 1 96 . 1 . 1 87 87 ASN N N 15 117.027 0.3 . 1 . . . . . 87 ASN N . 50773 1 97 . 1 . 1 88 88 ASN H H 1 7.893 0.020 . 1 . . . . . 88 ASN H . 50773 1 98 . 1 . 1 88 88 ASN N N 15 119.328 0.3 . 1 . . . . . 88 ASN N . 50773 1 99 . 1 . 1 90 90 LYS H H 1 8.512 0.020 . 1 . . . . . 90 LYS H . 50773 1 100 . 1 . 1 90 90 LYS N N 15 124.110 0.3 . 1 . . . . . 90 LYS N . 50773 1 101 . 1 . 1 91 91 SER H H 1 7.991 0.020 . 1 . . . . . 91 SER H . 50773 1 102 . 1 . 1 91 91 SER N N 15 114.405 0.3 . 1 . . . . . 91 SER N . 50773 1 103 . 1 . 1 92 92 PHE H H 1 7.471 0.020 . 1 . . . . . 92 PHE H . 50773 1 104 . 1 . 1 92 92 PHE N N 15 124.870 0.3 . 1 . . . . . 92 PHE N . 50773 1 105 . 1 . 1 93 93 GLU H H 1 8.372 0.020 . 1 . . . . . 93 GLU H . 50773 1 106 . 1 . 1 93 93 GLU N N 15 121.628 0.3 . 1 . . . . . 93 GLU N . 50773 1 107 . 1 . 1 94 94 ASP H H 1 8.614 0.020 . 1 . . . . . 94 ASP H . 50773 1 108 . 1 . 1 94 94 ASP N N 15 117.287 0.3 . 1 . . . . . 94 ASP N . 50773 1 109 . 1 . 1 95 95 ILE H H 1 7.567 0.020 . 1 . . . . . 95 ILE H . 50773 1 110 . 1 . 1 95 95 ILE N N 15 120.162 0.3 . 1 . . . . . 95 ILE N . 50773 1 111 . 1 . 1 97 97 HIS H H 1 7.168 0.020 . 1 . . . . . 97 HIS H . 50773 1 112 . 1 . 1 97 97 HIS N N 15 116.651 0.3 . 1 . . . . . 97 HIS N . 50773 1 113 . 1 . 1 98 98 TYR H H 1 7.731 0.020 . 1 . . . . . 98 TYR H . 50773 1 114 . 1 . 1 98 98 TYR N N 15 118.874 0.3 . 1 . . . . . 98 TYR N . 50773 1 115 . 1 . 1 99 99 ARG H H 1 8.461 0.020 . 1 . . . . . 99 ARG H . 50773 1 116 . 1 . 1 99 99 ARG N N 15 118.035 0.3 . 1 . . . . . 99 ARG N . 50773 1 117 . 1 . 1 104 104 ARG H H 1 7.736 0.020 . 1 . . . . . 104 ARG H . 50773 1 118 . 1 . 1 104 104 ARG N N 15 118.345 0.3 . 1 . . . . . 104 ARG N . 50773 1 119 . 1 . 1 106 106 LYS H H 1 8.175 0.020 . 1 . . . . . 106 LYS H . 50773 1 120 . 1 . 1 106 106 LYS N N 15 116.138 0.3 . 1 . . . . . 106 LYS N . 50773 1 121 . 1 . 1 107 107 ASP H H 1 7.962 0.020 . 1 . . . . . 107 ASP H . 50773 1 122 . 1 . 1 107 107 ASP N N 15 120.960 0.3 . 1 . . . . . 107 ASP N . 50773 1 123 . 1 . 1 108 108 SER H H 1 7.615 0.020 . 1 . . . . . 108 SER H . 50773 1 124 . 1 . 1 108 108 SER N N 15 109.323 0.3 . 1 . . . . . 108 SER N . 50773 1 125 . 1 . 1 109 109 GLU H H 1 8.469 0.020 . 1 . . . . . 109 GLU H . 50773 1 126 . 1 . 1 109 109 GLU N N 15 121.320 0.3 . 1 . . . . . 109 GLU N . 50773 1 127 . 1 . 1 110 110 ASP H H 1 8.406 0.020 . 1 . . . . . 110 ASP H . 50773 1 128 . 1 . 1 110 110 ASP N N 15 120.604 0.3 . 1 . . . . . 110 ASP N . 50773 1 129 . 1 . 1 111 111 VAL H H 1 7.634 0.020 . 1 . . . . . 111 VAL H . 50773 1 130 . 1 . 1 111 111 VAL N N 15 121.888 0.3 . 1 . . . . . 111 VAL N . 50773 1 131 . 1 . 1 113 113 MET H H 1 8.345 0.020 . 1 . . . . . 113 MET H . 50773 1 132 . 1 . 1 113 113 MET N N 15 123.098 0.3 . 1 . . . . . 113 MET N . 50773 1 133 . 1 . 1 114 114 VAL H H 1 8.109 0.020 . 1 . . . . . 114 VAL H . 50773 1 134 . 1 . 1 114 114 VAL N N 15 118.677 0.3 . 1 . . . . . 114 VAL N . 50773 1 135 . 1 . 1 115 115 LEU H H 1 8.993 0.020 . 1 . . . . . 115 LEU H . 50773 1 136 . 1 . 1 115 115 LEU N N 15 128.987 0.3 . 1 . . . . . 115 LEU N . 50773 1 137 . 1 . 1 116 116 VAL H H 1 9.247 0.020 . 1 . . . . . 116 VAL H . 50773 1 138 . 1 . 1 116 116 VAL N N 15 128.077 0.3 . 1 . . . . . 116 VAL N . 50773 1 139 . 1 . 1 117 117 GLY H H 1 8.238 0.020 . 1 . . . . . 117 GLY H . 50773 1 140 . 1 . 1 117 117 GLY N N 15 113.438 0.3 . 1 . . . . . 117 GLY N . 50773 1 141 . 1 . 1 118 118 ASN H H 1 8.831 0.020 . 1 . . . . . 118 ASN H . 50773 1 142 . 1 . 1 118 118 ASN N N 15 121.476 0.3 . 1 . . . . . 118 ASN N . 50773 1 143 . 1 . 1 120 120 CYS H H 1 8.627 0.020 . 1 . . . . . 120 CYS H . 50773 1 144 . 1 . 1 120 120 CYS N N 15 113.839 0.3 . 1 . . . . . 120 CYS N . 50773 1 145 . 1 . 1 121 121 ASP H H 1 8.607 0.020 . 1 . . . . . 121 ASP H . 50773 1 146 . 1 . 1 121 121 ASP N N 15 116.541 0.3 . 1 . . . . . 121 ASP N . 50773 1 147 . 1 . 1 122 122 LEU H H 1 7.828 0.020 . 1 . . . . . 122 LEU H . 50773 1 148 . 1 . 1 122 122 LEU N N 15 121.401 0.3 . 1 . . . . . 122 LEU N . 50773 1 149 . 1 . 1 124 124 SER H H 1 7.318 0.020 . 1 . . . . . 124 SER H . 50773 1 150 . 1 . 1 124 124 SER N N 15 113.263 0.3 . 1 . . . . . 124 SER N . 50773 1 151 . 1 . 1 125 125 ARG H H 1 7.839 0.020 . 1 . . . . . 125 ARG H . 50773 1 152 . 1 . 1 125 125 ARG N N 15 120.220 0.3 . 1 . . . . . 125 ARG N . 50773 1 153 . 1 . 1 126 126 THR H H 1 9.147 0.020 . 1 . . . . . 126 THR H . 50773 1 154 . 1 . 1 126 126 THR N N 15 114.877 0.3 . 1 . . . . . 126 THR N . 50773 1 155 . 1 . 1 127 127 VAL H H 1 7.603 0.020 . 1 . . . . . 127 VAL H . 50773 1 156 . 1 . 1 127 127 VAL N N 15 124.270 0.3 . 1 . . . . . 127 VAL N . 50773 1 157 . 1 . 1 128 128 ASP H H 1 8.631 0.020 . 1 . . . . . 128 ASP H . 50773 1 158 . 1 . 1 128 128 ASP N N 15 128.345 0.3 . 1 . . . . . 128 ASP N . 50773 1 159 . 1 . 1 129 129 THR H H 1 8.779 0.020 . 1 . . . . . 129 THR H . 50773 1 160 . 1 . 1 129 129 THR N N 15 121.540 0.3 . 1 . . . . . 129 THR N . 50773 1 161 . 1 . 1 130 130 LYS H H 1 8.448 0.020 . 1 . . . . . 130 LYS H . 50773 1 162 . 1 . 1 130 130 LYS N N 15 120.310 0.3 . 1 . . . . . 130 LYS N . 50773 1 163 . 1 . 1 131 131 GLN H H 1 7.341 0.020 . 1 . . . . . 131 GLN H . 50773 1 164 . 1 . 1 131 131 GLN N N 15 117.493 0.3 . 1 . . . . . 131 GLN N . 50773 1 165 . 1 . 1 132 132 ALA H H 1 7.123 0.020 . 1 . . . . . 132 ALA H . 50773 1 166 . 1 . 1 132 132 ALA N N 15 122.585 0.3 . 1 . . . . . 132 ALA N . 50773 1 167 . 1 . 1 133 133 GLN H H 1 8.464 0.020 . 1 . . . . . 133 GLN H . 50773 1 168 . 1 . 1 133 133 GLN N N 15 118.043 0.3 . 1 . . . . . 133 GLN N . 50773 1 169 . 1 . 1 134 134 ASP H H 1 8.532 0.020 . 1 . . . . . 134 ASP H . 50773 1 170 . 1 . 1 134 134 ASP N N 15 120.315 0.3 . 1 . . . . . 134 ASP N . 50773 1 171 . 1 . 1 135 135 LEU H H 1 7.541 0.020 . 1 . . . . . 135 LEU H . 50773 1 172 . 1 . 1 135 135 LEU N N 15 123.515 0.3 . 1 . . . . . 135 LEU N . 50773 1 173 . 1 . 1 136 136 ALA H H 1 8.284 0.020 . 1 . . . . . 136 ALA H . 50773 1 174 . 1 . 1 136 136 ALA N N 15 121.503 0.3 . 1 . . . . . 136 ALA N . 50773 1 175 . 1 . 1 137 137 ARG H H 1 8.496 0.020 . 1 . . . . . 137 ARG H . 50773 1 176 . 1 . 1 137 137 ARG N N 15 118.209 0.3 . 1 . . . . . 137 ARG N . 50773 1 177 . 1 . 1 139 139 TYR H H 1 7.691 0.020 . 1 . . . . . 139 TYR H . 50773 1 178 . 1 . 1 139 139 TYR N N 15 119.788 0.3 . 1 . . . . . 139 TYR N . 50773 1 179 . 1 . 1 140 140 GLY H H 1 8.338 0.020 . 1 . . . . . 140 GLY H . 50773 1 180 . 1 . 1 140 140 GLY N N 15 110.885 0.3 . 1 . . . . . 140 GLY N . 50773 1 181 . 1 . 1 141 141 ILE H H 1 8.061 0.020 . 1 . . . . . 141 ILE H . 50773 1 182 . 1 . 1 141 141 ILE N N 15 112.782 0.3 . 1 . . . . . 141 ILE N . 50773 1 183 . 1 . 1 143 143 PHE H H 1 8.331 0.020 . 1 . . . . . 143 PHE H . 50773 1 184 . 1 . 1 143 143 PHE N N 15 120.360 0.3 . 1 . . . . . 143 PHE N . 50773 1 185 . 1 . 1 144 144 ILE H H 1 8.415 0.020 . 1 . . . . . 144 ILE H . 50773 1 186 . 1 . 1 144 144 ILE N N 15 129.935 0.3 . 1 . . . . . 144 ILE N . 50773 1 187 . 1 . 1 145 145 GLU H H 1 7.847 0.020 . 1 . . . . . 145 GLU H . 50773 1 188 . 1 . 1 145 145 GLU N N 15 125.213 0.3 . 1 . . . . . 145 GLU N . 50773 1 189 . 1 . 1 146 146 THR H H 1 8.852 0.020 . 1 . . . . . 146 THR H . 50773 1 190 . 1 . 1 146 146 THR N N 15 112.558 0.3 . 1 . . . . . 146 THR N . 50773 1 191 . 1 . 1 147 147 SER H H 1 8.709 0.020 . 1 . . . . . 147 SER H . 50773 1 192 . 1 . 1 147 147 SER N N 15 112.272 0.3 . 1 . . . . . 147 SER N . 50773 1 193 . 1 . 1 148 148 ALA H H 1 9.167 0.020 . 1 . . . . . 148 ALA H . 50773 1 194 . 1 . 1 148 148 ALA N N 15 132.274 0.3 . 1 . . . . . 148 ALA N . 50773 1 195 . 1 . 1 149 149 LYS H H 1 7.009 0.020 . 1 . . . . . 149 LYS H . 50773 1 196 . 1 . 1 149 149 LYS N N 15 116.212 0.3 . 1 . . . . . 149 LYS N . 50773 1 197 . 1 . 1 150 150 THR H H 1 7.621 0.020 . 1 . . . . . 150 THR H . 50773 1 198 . 1 . 1 150 150 THR N N 15 106.147 0.3 . 1 . . . . . 150 THR N . 50773 1 199 . 1 . 1 152 152 GLN H H 1 7.818 0.020 . 1 . . . . . 152 GLN H . 50773 1 200 . 1 . 1 152 152 GLN N N 15 124.264 0.3 . 1 . . . . . 152 GLN N . 50773 1 201 . 1 . 1 153 153 GLY H H 1 8.962 0.020 . 1 . . . . . 153 GLY H . 50773 1 202 . 1 . 1 153 153 GLY N N 15 115.340 0.3 . 1 . . . . . 153 GLY N . 50773 1 203 . 1 . 1 154 154 VAL H H 1 7.020 0.020 . 1 . . . . . 154 VAL H . 50773 1 204 . 1 . 1 154 154 VAL N N 15 120.396 0.3 . 1 . . . . . 154 VAL N . 50773 1 205 . 1 . 1 155 155 ASP H H 1 7.940 0.020 . 1 . . . . . 155 ASP H . 50773 1 206 . 1 . 1 155 155 ASP N N 15 117.043 0.3 . 1 . . . . . 155 ASP N . 50773 1 207 . 1 . 1 156 156 ASP H H 1 8.088 0.020 . 1 . . . . . 156 ASP H . 50773 1 208 . 1 . 1 156 156 ASP N N 15 116.224 0.3 . 1 . . . . . 156 ASP N . 50773 1 209 . 1 . 1 157 157 ALA H H 1 8.650 0.020 . 1 . . . . . 157 ALA H . 50773 1 210 . 1 . 1 157 157 ALA N N 15 124.744 0.3 . 1 . . . . . 157 ALA N . 50773 1 211 . 1 . 1 158 158 PHE H H 1 7.254 0.020 . 1 . . . . . 158 PHE H . 50773 1 212 . 1 . 1 158 158 PHE N N 15 112.915 0.3 . 1 . . . . . 158 PHE N . 50773 1 213 . 1 . 1 159 159 TYR H H 1 9.519 0.020 . 1 . . . . . 159 TYR H . 50773 1 214 . 1 . 1 159 159 TYR N N 15 119.420 0.3 . 1 . . . . . 159 TYR N . 50773 1 215 . 1 . 1 160 160 THR H H 1 8.616 0.020 . 1 . . . . . 160 THR H . 50773 1 216 . 1 . 1 160 160 THR N N 15 116.520 0.3 . 1 . . . . . 160 THR N . 50773 1 217 . 1 . 1 161 161 LEU H H 1 7.335 0.020 . 1 . . . . . 161 LEU H . 50773 1 218 . 1 . 1 161 161 LEU N N 15 121.917 0.3 . 1 . . . . . 161 LEU N . 50773 1 219 . 1 . 1 162 162 VAL H H 1 7.680 0.020 . 1 . . . . . 162 VAL H . 50773 1 220 . 1 . 1 162 162 VAL N N 15 119.675 0.3 . 1 . . . . . 162 VAL N . 50773 1 221 . 1 . 1 163 163 ARG H H 1 8.130 0.020 . 1 . . . . . 163 ARG H . 50773 1 222 . 1 . 1 163 163 ARG N N 15 118.597 0.3 . 1 . . . . . 163 ARG N . 50773 1 223 . 1 . 1 164 164 GLU H H 1 8.357 0.020 . 1 . . . . . 164 GLU H . 50773 1 224 . 1 . 1 164 164 GLU N N 15 119.298 0.3 . 1 . . . . . 164 GLU N . 50773 1 225 . 1 . 1 165 165 ILE H H 1 8.412 0.020 . 1 . . . . . 165 ILE H . 50773 1 226 . 1 . 1 165 165 ILE N N 15 122.874 0.3 . 1 . . . . . 165 ILE N . 50773 1 227 . 1 . 1 166 166 ARG H H 1 8.690 0.020 . 1 . . . . . 166 ARG H . 50773 1 228 . 1 . 1 166 166 ARG N N 15 119.679 0.3 . 1 . . . . . 166 ARG N . 50773 1 229 . 1 . 1 167 167 LYS H H 1 7.847 0.020 . 1 . . . . . 167 LYS H . 50773 1 230 . 1 . 1 167 167 LYS N N 15 117.071 0.3 . 1 . . . . . 167 LYS N . 50773 1 231 . 1 . 1 169 169 LYS H H 1 8.079 0.020 . 1 . . . . . 169 LYS H . 50773 1 232 . 1 . 1 169 169 LYS N N 15 118.916 0.3 . 1 . . . . . 169 LYS N . 50773 1 233 . 1 . 1 171 171 LYS H H 1 7.633 0.020 . 1 . . . . . 171 LYS H . 50773 1 234 . 1 . 1 171 171 LYS N N 15 126.645 0.3 . 1 . . . . . 171 LYS N . 50773 1 stop_ save_