################################### # 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 51161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name p65DBD:DNA _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 2 '3D HNCA' . . . 51161 1 3 '3D HNCACB' . . . 51161 1 4 '3D HN(CO)CA' . . . 51161 1 5 '3D HN(CO)CACB' . . . 51161 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 . . 51161 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 GLU H H 1 8.95 0.01 . 1 . . . . . 22 GLU HN . 51161 1 2 . 1 . 1 4 4 GLU N N 15 124.92 0.01 . 1 . . . . . 22 GLU N . 51161 1 3 . 1 . 1 5 5 ILE H H 1 9.15 0.01 . 1 . . . . . 23 ILE HN . 51161 1 4 . 1 . 1 5 5 ILE N N 15 124.62 0.01 . 1 . . . . . 23 ILE N . 51161 1 5 . 1 . 1 6 6 ILE H H 1 7.90 0.01 . 1 . . . . . 24 ILE HN . 51161 1 6 . 1 . 1 6 6 ILE N N 15 124.32 0.01 . 1 . . . . . 24 ILE N . 51161 1 7 . 1 . 1 7 7 GLU H H 1 7.62 0.01 . 1 . . . . . 25 GLU HN . 51161 1 8 . 1 . 1 7 7 GLU N N 15 122.73 0.01 . 1 . . . . . 25 GLU N . 51161 1 9 . 1 . 1 8 8 GLN H H 1 9.11 0.01 . 1 . . . . . 26 GLN HN . 51161 1 10 . 1 . 1 8 8 GLN N N 15 126.82 0.01 . 1 . . . . . 26 GLN N . 51161 1 11 . 1 . 1 10 10 LYS H H 1 8.55 0.01 . 1 . . . . . 28 LYS HN . 51161 1 12 . 1 . 1 10 10 LYS N N 15 123.85 0.01 . 1 . . . . . 28 LYS N . 51161 1 13 . 1 . 1 11 11 GLN H H 1 8.77 0.01 . 1 . . . . . 29 GLN HN . 51161 1 14 . 1 . 1 11 11 GLN N N 15 124.05 0.01 . 1 . . . . . 29 GLN N . 51161 1 15 . 1 . 1 12 12 ARG H H 1 7.90 0.01 . 1 . . . . . 30 ARG HN . 51161 1 16 . 1 . 1 12 12 ARG N N 15 115.22 0.01 . 1 . . . . . 30 ARG N . 51161 1 17 . 1 . 1 13 13 GLY H H 1 8.72 0.01 . 1 . . . . . 31 GLY HN . 51161 1 18 . 1 . 1 13 13 GLY N N 15 108.87 0.01 . 1 . . . . . 31 GLY N . 51161 1 19 . 1 . 1 14 14 MET H H 1 8.42 0.01 . 1 . . . . . 32 MET HN . 51161 1 20 . 1 . 1 14 14 MET N N 15 121.76 0.01 . 1 . . . . . 32 MET N . 51161 1 21 . 1 . 1 15 15 ARG H H 1 8.47 0.01 . 1 . . . . . 33 ARG HN . 51161 1 22 . 1 . 1 15 15 ARG N N 15 124.31 0.01 . 1 . . . . . 33 ARG N . 51161 1 23 . 1 . 1 16 16 PHE H H 1 9.12 0.01 . 1 . . . . . 34 PHE HN . 51161 1 24 . 1 . 1 16 16 PHE N N 15 128.11 0.01 . 1 . . . . . 34 PHE N . 51161 1 25 . 1 . 1 17 17 ARG H H 1 7.93 0.01 . 1 . . . . . 35 ARG HN . 51161 1 26 . 1 . 1 17 17 ARG N N 15 121.65 0.01 . 1 . . . . . 35 ARG N . 51161 1 27 . 1 . 1 24 24 SER H H 1 8.52 0.01 . 1 . . . . . 42 SER HN . 51161 1 28 . 1 . 1 24 24 SER N N 15 117.28 0.01 . 1 . . . . . 42 SER N . 51161 1 29 . 1 . 1 25 25 ALA H H 1 8.22 0.01 . 1 . . . . . 43 ALA HN . 51161 1 30 . 1 . 1 25 25 ALA N N 15 124.61 0.01 . 1 . . . . . 43 ALA N . 51161 1 31 . 1 . 1 26 26 GLY H H 1 7.96 0.01 . 1 . . . . . 44 GLY HN . 51161 1 32 . 1 . 1 26 26 GLY N N 15 107.33 0.01 . 1 . . . . . 44 GLY N . 51161 1 33 . 1 . 1 27 27 SER H H 1 8.09 0.01 . 1 . . . . . 45 SER HN . 51161 1 34 . 1 . 1 27 27 SER N N 15 114.08 0.01 . 1 . . . . . 45 SER N . 51161 1 35 . 1 . 1 30 30 GLY H H 1 7.82 0.01 . 1 . . . . . 48 GLY HN . 51161 1 36 . 1 . 1 30 30 GLY N N 15 106.89 0.01 . 1 . . . . . 48 GLY N . 51161 1 37 . 1 . 1 31 31 GLU H H 1 8.62 0.01 . 1 . . . . . 49 GLU HN . 51161 1 38 . 1 . 1 31 31 GLU N N 15 121.49 0.01 . 1 . . . . . 49 GLU N . 51161 1 39 . 1 . 1 32 32 ARG H H 1 9.38 0.01 . 1 . . . . . 50 ARG HN . 51161 1 40 . 1 . 1 32 32 ARG N N 15 118.75 0.01 . 1 . . . . . 50 ARG N . 51161 1 41 . 1 . 1 33 33 SER H H 1 7.47 0.01 . 1 . . . . . 51 SER HN . 51161 1 42 . 1 . 1 33 33 SER N N 15 117.02 0.01 . 1 . . . . . 51 SER N . 51161 1 43 . 1 . 1 34 34 THR H H 1 8.63 0.01 . 1 . . . . . 52 THR HN . 51161 1 44 . 1 . 1 34 34 THR N N 15 117.99 0.01 . 1 . . . . . 52 THR N . 51161 1 45 . 1 . 1 35 35 ASP H H 1 8.62 0.01 . 1 . . . . . 53 ASP HN . 51161 1 46 . 1 . 1 35 35 ASP N N 15 116.77 0.01 . 1 . . . . . 53 ASP N . 51161 1 47 . 1 . 1 36 36 THR H H 1 7.75 0.01 . 1 . . . . . 54 THR HN . 51161 1 48 . 1 . 1 36 36 THR N N 15 107.55 0.01 . 1 . . . . . 54 THR N . 51161 1 49 . 1 . 1 37 37 THR H H 1 7.50 0.01 . 1 . . . . . 55 THR HN . 51161 1 50 . 1 . 1 37 37 THR N N 15 119.85 0.01 . 1 . . . . . 55 THR N . 51161 1 51 . 1 . 1 38 38 LYS H H 1 8.70 0.01 . 1 . . . . . 56 LYS HN . 51161 1 52 . 1 . 1 38 38 LYS N N 15 128.46 0.01 . 1 . . . . . 56 LYS N . 51161 1 53 . 1 . 1 39 39 THR H H 1 7.95 0.01 . 1 . . . . . 57 THR HN . 51161 1 54 . 1 . 1 39 39 THR N N 15 114.88 0.01 . 1 . . . . . 57 THR N . 51161 1 55 . 1 . 1 40 40 HIS H H 1 8.20 0.01 . 1 . . . . . 58 HIS HN . 51161 1 56 . 1 . 1 40 40 HIS N N 15 117.17 0.01 . 1 . . . . . 58 HIS N . 51161 1 57 . 1 . 1 42 42 THR H H 1 8.87 0.01 . 1 . . . . . 60 THR HN . 51161 1 58 . 1 . 1 42 42 THR N N 15 119.20 0.01 . 1 . . . . . 60 THR N . 51161 1 59 . 1 . 1 43 43 ILE H H 1 9.18 0.01 . 1 . . . . . 61 ILE HN . 51161 1 60 . 1 . 1 43 43 ILE N N 15 119.27 0.01 . 1 . . . . . 61 ILE N . 51161 1 61 . 1 . 1 44 44 LYS H H 1 9.22 0.01 . 1 . . . . . 62 LYS HN . 51161 1 62 . 1 . 1 44 44 LYS N N 15 121.88 0.01 . 1 . . . . . 62 LYS N . 51161 1 63 . 1 . 1 45 45 ILE H H 1 8.83 0.01 . 1 . . . . . 63 ILE HN . 51161 1 64 . 1 . 1 45 45 ILE N N 15 125.77 0.01 . 1 . . . . . 63 ILE N . 51161 1 65 . 1 . 1 46 46 ASN H H 1 8.69 0.01 . 1 . . . . . 64 ASN HN . 51161 1 66 . 1 . 1 46 46 ASN N N 15 126.11 0.01 . 1 . . . . . 64 ASN N . 51161 1 67 . 1 . 1 48 48 TYR H H 1 7.35 0.01 . 1 . . . . . 66 TYR HN . 51161 1 68 . 1 . 1 48 48 TYR N N 15 118.28 0.01 . 1 . . . . . 66 TYR N . 51161 1 69 . 1 . 1 49 49 THR H H 1 7.23 0.01 . 1 . . . . . 67 THR HN . 51161 1 70 . 1 . 1 49 49 THR N N 15 122.83 0.01 . 1 . . . . . 67 THR N . 51161 1 71 . 1 . 1 50 50 GLY H H 1 8.14 0.01 . 1 . . . . . 68 GLY HN . 51161 1 72 . 1 . 1 50 50 GLY N N 15 113.04 0.01 . 1 . . . . . 68 GLY N . 51161 1 73 . 1 . 1 52 52 GLY H H 1 8.39 0.01 . 1 . . . . . 70 GLY HN . 51161 1 74 . 1 . 1 52 52 GLY N N 15 106.30 0.01 . 1 . . . . . 70 GLY N . 51161 1 75 . 1 . 1 53 53 THR H H 1 9.20 0.01 . 1 . . . . . 71 THR HN . 51161 1 76 . 1 . 1 53 53 THR N N 15 116.01 0.01 . 1 . . . . . 71 THR N . 51161 1 77 . 1 . 1 54 54 VAL H H 1 9.11 0.01 . 1 . . . . . 72 VAL HN . 51161 1 78 . 1 . 1 54 54 VAL N N 15 122.00 0.01 . 1 . . . . . 72 VAL N . 51161 1 79 . 1 . 1 55 55 ARG H H 1 8.78 0.01 . 1 . . . . . 73 ARG HN . 51161 1 80 . 1 . 1 55 55 ARG N N 15 127.23 0.01 . 1 . . . . . 73 ARG N . 51161 1 81 . 1 . 1 56 56 ILE H H 1 9.43 0.01 . 1 . . . . . 74 ILE HN . 51161 1 82 . 1 . 1 56 56 ILE N N 15 126.54 0.01 . 1 . . . . . 74 ILE N . 51161 1 83 . 1 . 1 57 57 SER H H 1 8.23 0.01 . 1 . . . . . 75 SER HN . 51161 1 84 . 1 . 1 57 57 SER N N 15 119.63 0.01 . 1 . . . . . 75 SER N . 51161 1 85 . 1 . 1 58 58 LEU H H 1 8.82 0.01 . 1 . . . . . 76 LEU HN . 51161 1 86 . 1 . 1 58 58 LEU N N 15 118.77 0.01 . 1 . . . . . 76 LEU N . 51161 1 87 . 1 . 1 59 59 VAL H H 1 8.65 0.01 . 1 . . . . . 77 VAL HN . 51161 1 88 . 1 . 1 59 59 VAL N N 15 114.70 0.01 . 1 . . . . . 77 VAL N . 51161 1 89 . 1 . 1 60 60 THR H H 1 8.58 0.01 . 1 . . . . . 78 THR HN . 51161 1 90 . 1 . 1 60 60 THR N N 15 108.77 0.01 . 1 . . . . . 78 THR N . 51161 1 91 . 1 . 1 62 62 ASP H H 1 8.37 0.01 . 1 . . . . . 80 ASP HN . 51161 1 92 . 1 . 1 62 62 ASP N N 15 117.62 0.01 . 1 . . . . . 80 ASP N . 51161 1 93 . 1 . 1 65 65 HIS H H 1 8.71 0.01 . 1 . . . . . 83 HIS HN . 51161 1 94 . 1 . 1 65 65 HIS N N 15 120.79 0.01 . 1 . . . . . 83 HIS N . 51161 1 95 . 1 . 1 68 68 HIS H H 1 8.22 0.01 . 1 . . . . . 86 HIS HN . 51161 1 96 . 1 . 1 68 68 HIS N N 15 114.05 0.01 . 1 . . . . . 86 HIS N . 51161 1 97 . 1 . 1 70 70 HIS H H 1 10.18 0.01 . 1 . . . . . 88 HIS HN . 51161 1 98 . 1 . 1 70 70 HIS N N 15 119.21 0.01 . 1 . . . . . 88 HIS N . 51161 1 99 . 1 . 1 71 71 GLU H H 1 8.29 0.01 . 1 . . . . . 89 GLU HN . 51161 1 100 . 1 . 1 71 71 GLU N N 15 114.13 0.01 . 1 . . . . . 89 GLU N . 51161 1 101 . 1 . 1 72 72 LEU H H 1 7.49 0.01 . 1 . . . . . 90 LEU HN . 51161 1 102 . 1 . 1 72 72 LEU N N 15 121.84 0.01 . 1 . . . . . 90 LEU N . 51161 1 103 . 1 . 1 73 73 VAL H H 1 8.29 0.01 . 1 . . . . . 91 VAL HN . 51161 1 104 . 1 . 1 73 73 VAL N N 15 115.06 0.01 . 1 . . . . . 91 VAL N . 51161 1 105 . 1 . 1 74 74 GLY H H 1 7.89 0.01 . 1 . . . . . 92 GLY HN . 51161 1 106 . 1 . 1 74 74 GLY N N 15 106.04 0.01 . 1 . . . . . 92 GLY N . 51161 1 107 . 1 . 1 75 75 LYS H H 1 8.09 0.01 . 1 . . . . . 93 LYS HN . 51161 1 108 . 1 . 1 75 75 LYS N N 15 121.56 0.01 . 1 . . . . . 93 LYS N . 51161 1 109 . 1 . 1 77 77 CYS H H 1 7.57 0.01 . 1 . . . . . 95 CYS HN . 51161 1 110 . 1 . 1 77 77 CYS N N 15 113.17 0.01 . 1 . . . . . 95 CYS N . 51161 1 111 . 1 . 1 78 78 ARG H H 1 8.87 0.01 . 1 . . . . . 96 ARG HN . 51161 1 112 . 1 . 1 78 78 ARG N N 15 122.82 0.01 . 1 . . . . . 96 ARG N . 51161 1 113 . 1 . 1 79 79 ASP H H 1 8.71 0.01 . 1 . . . . . 97 ASP HN . 51161 1 114 . 1 . 1 79 79 ASP N N 15 116.18 0.01 . 1 . . . . . 97 ASP N . 51161 1 115 . 1 . 1 80 80 GLY H H 1 8.47 0.01 . 1 . . . . . 98 GLY HN . 51161 1 116 . 1 . 1 80 80 GLY N N 15 101.95 0.01 . 1 . . . . . 98 GLY N . 51161 1 117 . 1 . 1 81 81 TYR H H 1 8.04 0.01 . 1 . . . . . 99 TYR HN . 51161 1 118 . 1 . 1 81 81 TYR N N 15 120.06 0.01 . 1 . . . . . 99 TYR N . 51161 1 119 . 1 . 1 82 82 TYR H H 1 8.80 0.01 . 1 . . . . . 100 TYR HN . 51161 1 120 . 1 . 1 82 82 TYR N N 15 120.94 0.01 . 1 . . . . . 100 TYR N . 51161 1 121 . 1 . 1 83 83 GLU H H 1 7.83 0.01 . 1 . . . . . 101 GLU HN . 51161 1 122 . 1 . 1 83 83 GLU N N 15 127.71 0.01 . 1 . . . . . 101 GLU N . 51161 1 123 . 1 . 1 84 84 ALA H H 1 8.50 0.01 . 1 . . . . . 102 ALA HN . 51161 1 124 . 1 . 1 84 84 ALA N N 15 126.54 0.01 . 1 . . . . . 102 ALA N . 51161 1 125 . 1 . 1 85 85 ASP H H 1 8.27 0.01 . 1 . . . . . 103 ASP HN . 51161 1 126 . 1 . 1 85 85 ASP N N 15 118.03 0.01 . 1 . . . . . 103 ASP N . 51161 1 127 . 1 . 1 86 86 LEU H H 1 8.26 0.01 . 1 . . . . . 104 LEU HN . 51161 1 128 . 1 . 1 86 86 LEU N N 15 121.90 0.01 . 1 . . . . . 104 LEU N . 51161 1 129 . 1 . 1 89 89 ASP H H 1 7.77 0.01 . 1 . . . . . 107 ASP HN . 51161 1 130 . 1 . 1 89 89 ASP N N 15 115.76 0.01 . 1 . . . . . 107 ASP N . 51161 1 131 . 1 . 1 90 90 ARG H H 1 7.32 0.01 . 1 . . . . . 108 ARG HN . 51161 1 132 . 1 . 1 90 90 ARG N N 15 115.92 0.01 . 1 . . . . . 108 ARG N . 51161 1 133 . 1 . 1 91 91 SER H H 1 8.39 0.01 . 1 . . . . . 109 SER HN . 51161 1 134 . 1 . 1 91 91 SER N N 15 111.80 0.01 . 1 . . . . . 109 SER N . 51161 1 135 . 1 . 1 93 93 HIS H H 1 8.61 0.01 . 1 . . . . . 111 HIS HN . 51161 1 136 . 1 . 1 93 93 HIS N N 15 124.95 0.01 . 1 . . . . . 111 HIS N . 51161 1 137 . 1 . 1 94 94 SER H H 1 8.49 0.01 . 1 . . . . . 112 SER HN . 51161 1 138 . 1 . 1 94 94 SER N N 15 119.00 0.01 . 1 . . . . . 112 SER N . 51161 1 139 . 1 . 1 95 95 PHE H H 1 7.70 0.01 . 1 . . . . . 113 PHE HN . 51161 1 140 . 1 . 1 95 95 PHE N N 15 120.78 0.01 . 1 . . . . . 113 PHE N . 51161 1 141 . 1 . 1 96 96 GLN H H 1 8.21 0.01 . 1 . . . . . 114 GLN HN . 51161 1 142 . 1 . 1 96 96 GLN N N 15 120.63 0.01 . 1 . . . . . 114 GLN N . 51161 1 143 . 1 . 1 99 99 GLY H H 1 8.46 0.01 . 1 . . . . . 117 GLY HN . 51161 1 144 . 1 . 1 99 99 GLY N N 15 108.60 0.01 . 1 . . . . . 117 GLY N . 51161 1 145 . 1 . 1 100 100 ILE H H 1 7.65 0.01 . 1 . . . . . 118 ILE HN . 51161 1 146 . 1 . 1 100 100 ILE N N 15 117.63 0.01 . 1 . . . . . 118 ILE N . 51161 1 147 . 1 . 1 101 101 GLN H H 1 9.24 0.01 . 1 . . . . . 119 GLN HN . 51161 1 148 . 1 . 1 101 101 GLN N N 15 130.46 0.01 . 1 . . . . . 119 GLN N . 51161 1 149 . 1 . 1 102 102 CYS H H 1 8.15 0.01 . 1 . . . . . 120 CYS HN . 51161 1 150 . 1 . 1 102 102 CYS N N 15 123.17 0.01 . 1 . . . . . 120 CYS N . 51161 1 151 . 1 . 1 103 103 VAL H H 1 8.75 0.01 . 1 . . . . . 121 VAL HN . 51161 1 152 . 1 . 1 103 103 VAL N N 15 123.83 0.01 . 1 . . . . . 121 VAL N . 51161 1 153 . 1 . 1 104 104 LYS H H 1 8.37 0.01 . 1 . . . . . 122 LYS HN . 51161 1 154 . 1 . 1 104 104 LYS N N 15 121.67 0.01 . 1 . . . . . 122 LYS N . 51161 1 155 . 1 . 1 105 105 LYS H H 1 8.55 0.01 . 1 . . . . . 123 LYS HN . 51161 1 156 . 1 . 1 105 105 LYS N N 15 122.27 0.01 . 1 . . . . . 123 LYS N . 51161 1 157 . 1 . 1 106 106 ARG H H 1 7.83 0.01 . 1 . . . . . 124 ARG HN . 51161 1 158 . 1 . 1 106 106 ARG N N 15 120.74 0.01 . 1 . . . . . 124 ARG N . 51161 1 159 . 1 . 1 107 107 ASP H H 1 7.69 0.01 . 1 . . . . . 125 ASP HN . 51161 1 160 . 1 . 1 107 107 ASP N N 15 118.30 0.01 . 1 . . . . . 125 ASP N . 51161 1 161 . 1 . 1 108 108 LEU H H 1 7.38 0.01 . 1 . . . . . 126 LEU HN . 51161 1 162 . 1 . 1 108 108 LEU N N 15 122.18 0.01 . 1 . . . . . 126 LEU N . 51161 1 163 . 1 . 1 109 109 GLU H H 1 8.67 0.01 . 1 . . . . . 127 GLU HN . 51161 1 164 . 1 . 1 109 109 GLU N N 15 116.93 0.01 . 1 . . . . . 127 GLU N . 51161 1 165 . 1 . 1 110 110 GLN H H 1 8.01 0.01 . 1 . . . . . 128 GLN HN . 51161 1 166 . 1 . 1 110 110 GLN N N 15 119.46 0.01 . 1 . . . . . 128 GLN N . 51161 1 167 . 1 . 1 111 111 ALA H H 1 7.95 0.01 . 1 . . . . . 129 ALA HN . 51161 1 168 . 1 . 1 111 111 ALA N N 15 124.04 0.01 . 1 . . . . . 129 ALA N . 51161 1 169 . 1 . 1 112 112 ILE H H 1 8.37 0.01 . 1 . . . . . 130 ILE HN . 51161 1 170 . 1 . 1 112 112 ILE N N 15 117.23 0.01 . 1 . . . . . 130 ILE N . 51161 1 171 . 1 . 1 113 113 SER H H 1 8.00 0.01 . 1 . . . . . 131 SER HN . 51161 1 172 . 1 . 1 113 113 SER N N 15 114.36 0.01 . 1 . . . . . 131 SER N . 51161 1 173 . 1 . 1 114 114 GLN H H 1 8.02 0.01 . 1 . . . . . 132 GLN HN . 51161 1 174 . 1 . 1 114 114 GLN N N 15 121.38 0.01 . 1 . . . . . 132 GLN N . 51161 1 175 . 1 . 1 115 115 ARG H H 1 8.37 0.01 . 1 . . . . . 133 ARG HN . 51161 1 176 . 1 . 1 115 115 ARG N N 15 120.86 0.01 . 1 . . . . . 133 ARG N . 51161 1 177 . 1 . 1 117 117 GLN H H 1 8.73 0.01 . 1 . . . . . 135 GLN HN . 51161 1 178 . 1 . 1 117 117 GLN N N 15 122.41 0.01 . 1 . . . . . 135 GLN N . 51161 1 179 . 1 . 1 118 118 THR H H 1 7.55 0.01 . 1 . . . . . 136 THR HN . 51161 1 180 . 1 . 1 118 118 THR N N 15 118.06 0.01 . 1 . . . . . 136 THR N . 51161 1 181 . 1 . 1 124 124 HIS H H 1 7.90 0.01 . 1 . . . . . 142 HIS HN . 51161 1 182 . 1 . 1 124 124 HIS N N 15 116.99 0.01 . 1 . . . . . 142 HIS N . 51161 1 183 . 1 . 1 125 125 VAL H H 1 7.92 0.01 . 1 . . . . . 143 VAL HN . 51161 1 184 . 1 . 1 125 125 VAL N N 15 119.32 0.01 . 1 . . . . . 143 VAL N . 51161 1 185 . 1 . 1 127 127 ILE H H 1 8.51 0.01 . 1 . . . . . 145 ILE HN . 51161 1 186 . 1 . 1 127 127 ILE N N 15 123.42 0.01 . 1 . . . . . 145 ILE N . 51161 1 187 . 1 . 1 128 128 GLU H H 1 9.13 0.01 . 1 . . . . . 146 GLU HN . 51161 1 188 . 1 . 1 128 128 GLU N N 15 120.90 0.01 . 1 . . . . . 146 GLU N . 51161 1 189 . 1 . 1 129 129 GLU H H 1 7.79 0.01 . 1 . . . . . 147 GLU HN . 51161 1 190 . 1 . 1 129 129 GLU N N 15 117.45 0.01 . 1 . . . . . 147 GLU N . 51161 1 191 . 1 . 1 130 130 GLN H H 1 7.74 0.01 . 1 . . . . . 148 GLN HN . 51161 1 192 . 1 . 1 130 130 GLN N N 15 119.86 0.01 . 1 . . . . . 148 GLN N . 51161 1 193 . 1 . 1 131 131 ARG H H 1 7.73 0.01 . 1 . . . . . 149 ARG HN . 51161 1 194 . 1 . 1 131 131 ARG N N 15 118.53 0.01 . 1 . . . . . 149 ARG N . 51161 1 195 . 1 . 1 132 132 GLY H H 1 8.24 0.01 . 1 . . . . . 150 GLY HN . 51161 1 196 . 1 . 1 132 132 GLY N N 15 109.00 0.01 . 1 . . . . . 150 GLY N . 51161 1 197 . 1 . 1 133 133 ASP H H 1 8.26 0.01 . 1 . . . . . 151 ASP HN . 51161 1 198 . 1 . 1 133 133 ASP N N 15 119.90 0.01 . 1 . . . . . 151 ASP N . 51161 1 199 . 1 . 1 134 134 TYR H H 1 8.62 0.01 . 1 . . . . . 152 TYR HN . 51161 1 200 . 1 . 1 134 134 TYR N N 15 120.78 0.01 . 1 . . . . . 152 TYR N . 51161 1 201 . 1 . 1 135 135 ASP H H 1 8.83 0.01 . 1 . . . . . 153 ASP HN . 51161 1 202 . 1 . 1 135 135 ASP N N 15 120.06 0.01 . 1 . . . . . 153 ASP N . 51161 1 203 . 1 . 1 136 136 LEU H H 1 9.19 0.01 . 1 . . . . . 154 LEU HN . 51161 1 204 . 1 . 1 136 136 LEU N N 15 124.66 0.01 . 1 . . . . . 154 LEU N . 51161 1 205 . 1 . 1 137 137 ASN H H 1 9.00 0.01 . 1 . . . . . 155 ASN HN . 51161 1 206 . 1 . 1 137 137 ASN N N 15 117.14 0.01 . 1 . . . . . 155 ASN N . 51161 1 207 . 1 . 1 138 138 ALA H H 1 7.13 0.01 . 1 . . . . . 156 ALA HN . 51161 1 208 . 1 . 1 138 138 ALA N N 15 119.25 0.01 . 1 . . . . . 156 ALA N . 51161 1 209 . 1 . 1 139 139 VAL H H 1 8.46 0.01 . 1 . . . . . 157 VAL HN . 51161 1 210 . 1 . 1 139 139 VAL N N 15 110.32 0.01 . 1 . . . . . 157 VAL N . 51161 1 211 . 1 . 1 140 140 ARG H H 1 8.24 0.01 . 1 . . . . . 158 ARG HN . 51161 1 212 . 1 . 1 140 140 ARG N N 15 114.89 0.01 . 1 . . . . . 158 ARG N . 51161 1 213 . 1 . 1 141 141 LEU H H 1 8.06 0.01 . 1 . . . . . 159 LEU HN . 51161 1 214 . 1 . 1 141 141 LEU N N 15 117.05 0.01 . 1 . . . . . 159 LEU N . 51161 1 215 . 1 . 1 142 142 CYS H H 1 8.93 0.01 . 1 . . . . . 160 CYS HN . 51161 1 216 . 1 . 1 142 142 CYS N N 15 120.98 0.01 . 1 . . . . . 160 CYS N . 51161 1 217 . 1 . 1 143 143 PHE H H 1 9.46 0.01 . 1 . . . . . 161 PHE HN . 51161 1 218 . 1 . 1 143 143 PHE N N 15 128.53 0.01 . 1 . . . . . 161 PHE N . 51161 1 219 . 1 . 1 144 144 GLN H H 1 9.51 0.01 . 1 . . . . . 162 GLN HN . 51161 1 220 . 1 . 1 144 144 GLN N N 15 125.24 0.01 . 1 . . . . . 162 GLN N . 51161 1 221 . 1 . 1 145 145 VAL H H 1 9.24 0.01 . 1 . . . . . 163 VAL HN . 51161 1 222 . 1 . 1 145 145 VAL N N 15 129.58 0.01 . 1 . . . . . 163 VAL N . 51161 1 223 . 1 . 1 146 146 THR H H 1 9.11 0.01 . 1 . . . . . 164 THR HN . 51161 1 224 . 1 . 1 146 146 THR N N 15 125.15 0.01 . 1 . . . . . 164 THR N . 51161 1 225 . 1 . 1 147 147 VAL H H 1 8.63 0.01 . 1 . . . . . 165 VAL HN . 51161 1 226 . 1 . 1 147 147 VAL N N 15 118.33 0.01 . 1 . . . . . 165 VAL N . 51161 1 227 . 1 . 1 148 148 ARG H H 1 6.48 0.01 . 1 . . . . . 166 ARG HN . 51161 1 228 . 1 . 1 148 148 ARG N N 15 119.79 0.01 . 1 . . . . . 166 ARG N . 51161 1 229 . 1 . 1 149 149 ASP H H 1 8.89 0.01 . 1 . . . . . 167 ASP HN . 51161 1 230 . 1 . 1 149 149 ASP N N 15 123.21 0.01 . 1 . . . . . 167 ASP N . 51161 1 231 . 1 . 1 151 151 ALA H H 1 7.79 0.01 . 1 . . . . . 169 ALA HN . 51161 1 232 . 1 . 1 151 151 ALA N N 15 118.26 0.01 . 1 . . . . . 169 ALA N . 51161 1 233 . 1 . 1 152 152 GLY H H 1 8.49 0.01 . 1 . . . . . 170 GLY HN . 51161 1 234 . 1 . 1 152 152 GLY N N 15 108.26 0.01 . 1 . . . . . 170 GLY N . 51161 1 235 . 1 . 1 153 153 ARG H H 1 8.46 0.01 . 1 . . . . . 171 ARG HN . 51161 1 236 . 1 . 1 153 153 ARG N N 15 123.20 0.01 . 1 . . . . . 171 ARG N . 51161 1 237 . 1 . 1 155 155 LEU H H 1 7.78 0.01 . 1 . . . . . 173 LEU HN . 51161 1 238 . 1 . 1 155 155 LEU N N 15 126.68 0.01 . 1 . . . . . 173 LEU N . 51161 1 239 . 1 . 1 156 156 LEU H H 1 8.62 0.01 . 1 . . . . . 174 LEU HN . 51161 1 240 . 1 . 1 156 156 LEU N N 15 130.05 0.01 . 1 . . . . . 174 LEU N . 51161 1 241 . 1 . 1 157 157 LEU H H 1 8.55 0.01 . 1 . . . . . 175 LEU HN . 51161 1 242 . 1 . 1 157 157 LEU N N 15 125.27 0.01 . 1 . . . . . 175 LEU N . 51161 1 243 . 1 . 1 158 158 THR H H 1 8.04 0.01 . 1 . . . . . 176 THR HN . 51161 1 244 . 1 . 1 158 158 THR N N 15 118.80 0.01 . 1 . . . . . 176 THR N . 51161 1 245 . 1 . 1 160 160 VAL H H 1 7.93 0.01 . 1 . . . . . 178 VAL HN . 51161 1 246 . 1 . 1 160 160 VAL N N 15 116.07 0.01 . 1 . . . . . 178 VAL N . 51161 1 247 . 1 . 1 161 161 LEU H H 1 8.76 0.01 . 1 . . . . . 179 LEU HN . 51161 1 248 . 1 . 1 161 161 LEU N N 15 124.84 0.01 . 1 . . . . . 179 LEU N . 51161 1 249 . 1 . 1 162 162 SER H H 1 9.04 0.01 . 1 . . . . . 180 SER HN . 51161 1 250 . 1 . 1 162 162 SER N N 15 116.29 0.01 . 1 . . . . . 180 SER N . 51161 1 251 . 1 . 1 163 163 HIS H H 1 8.48 0.01 . 1 . . . . . 181 HIS HN . 51161 1 252 . 1 . 1 163 163 HIS N N 15 117.71 0.01 . 1 . . . . . 181 HIS N . 51161 1 253 . 1 . 1 165 165 ILE H H 1 8.72 0.01 . 1 . . . . . 183 ILE HN . 51161 1 254 . 1 . 1 165 165 ILE N N 15 119.66 0.01 . 1 . . . . . 183 ILE N . 51161 1 255 . 1 . 1 166 166 PHE H H 1 9.04 0.01 . 1 . . . . . 184 PHE HN . 51161 1 256 . 1 . 1 166 166 PHE N N 15 123.18 0.01 . 1 . . . . . 184 PHE N . 51161 1 257 . 1 . 1 167 167 ASP H H 1 8.09 0.01 . 1 . . . . . 185 ASP HN . 51161 1 258 . 1 . 1 167 167 ASP N N 15 121.90 0.01 . 1 . . . . . 185 ASP N . 51161 1 259 . 1 . 1 168 168 ASN H H 1 8.00 0.01 . 1 . . . . . 186 ASN HN . 51161 1 260 . 1 . 1 168 168 ASN N N 15 123.90 0.01 . 1 . . . . . 186 ASN N . 51161 1 261 . 1 . 1 169 169 ARG H H 1 7.86 0.01 . 1 . . . . . 187 ARG HN . 51161 1 262 . 1 . 1 169 169 ARG N N 15 119.27 0.01 . 1 . . . . . 187 ARG N . 51161 1 263 . 1 . 1 170 170 ALA H H 1 7.74 0.01 . 1 . . . . . 188 ALA HN . 51161 1 264 . 1 . 1 170 170 ALA N N 15 123.50 0.01 . 1 . . . . . 188 ALA N . 51161 1 265 . 1 . 1 172 172 ASN H H 1 8.60 0.01 . 1 . . . . . 190 ASN HN . 51161 1 266 . 1 . 1 172 172 ASN N N 15 119.28 0.01 . 1 . . . . . 190 ASN N . 51161 1 267 . 1 . 1 173 173 THR H H 1 7.52 0.01 . 1 . . . . . 191 THR HN . 51161 1 268 . 1 . 1 173 173 THR N N 15 118.77 0.01 . 1 . . . . . 191 THR N . 51161 1 stop_ save_