################################### # 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 26350 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_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 $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 TROSY' 1 $sample_1 isotropic 26350 1 2 '2D 1H-15N TROSY' 2 $sample_2 isotropic 26350 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26350 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 . . 26350 1 2 $software_2 . . 26350 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 LEU H H 1 8.406 0.01 . 1 . . . . . -3 LEU H . 26350 1 2 . 1 . 1 3 3 LEU N N 15 122.965 0.03 . 1 . . . . . -3 LEU N . 26350 1 3 . 1 . 1 4 4 GLY H H 1 8.302 0.01 . 1 . . . . . -2 GLY H . 26350 1 4 . 1 . 1 4 4 GLY N N 15 110.445 0.03 . 1 . . . . . -2 GLY N . 26350 1 5 . 1 . 1 5 5 SER H H 1 8.105 0.01 . 1 . . . . . -1 SER H . 26350 1 6 . 1 . 1 5 5 SER N N 15 116.345 0.03 . 1 . . . . . -1 SER N . 26350 1 7 . 1 . 1 8 8 GLU H H 1 8.150 0.01 . 1 . . . . . 3 GLU H . 26350 1 8 . 1 . 1 8 8 GLU N N 15 120.581 0.03 . 1 . . . . . 3 GLU N . 26350 1 9 . 1 . 1 9 9 ALA H H 1 8.182 0.01 . 1 . . . . . 4 ALA H . 26350 1 10 . 1 . 1 9 9 ALA N N 15 127.099 0.03 . 1 . . . . . 4 ALA N . 26350 1 11 . 1 . 1 11 11 ALA H H 1 8.284 0.01 . 1 . . . . . 6 ALA H . 26350 1 12 . 1 . 1 11 11 ALA N N 15 125.056 0.03 . 1 . . . . . 6 ALA N . 26350 1 13 . 1 . 1 12 12 SER H H 1 8.171 0.01 . 1 . . . . . 7 SER H . 26350 1 14 . 1 . 1 12 12 SER N N 15 116.951 0.03 . 1 . . . . . 7 SER N . 26350 1 15 . 1 . 1 16 16 LEU H H 1 8.209 0.01 . 1 . . . . . 11 LEU H . 26350 1 16 . 1 . 1 16 16 LEU N N 15 122.972 0.03 . 1 . . . . . 11 LEU N . 26350 1 17 . 1 . 1 17 17 SER H H 1 8.217 0.01 . 1 . . . . . 12 SER H . 26350 1 18 . 1 . 1 17 17 SER N N 15 118.506 0.03 . 1 . . . . . 12 SER N . 26350 1 19 . 1 . 1 19 19 LEU H H 1 8.064 0.01 . 1 . . . . . 14 LEU H . 26350 1 20 . 1 . 1 19 19 LEU N N 15 121.713 0.03 . 1 . . . . . 14 LEU N . 26350 1 21 . 1 . 1 20 20 GLU H H 1 8.141 0.01 . 1 . . . . . 15 GLU H . 26350 1 22 . 1 . 1 20 20 GLU N N 15 121.956 0.03 . 1 . . . . . 15 GLU N . 26350 1 23 . 1 . 1 21 21 VAL H H 1 7.837 0.01 . 1 . . . . . 16 VAL H . 26350 1 24 . 1 . 1 21 21 VAL N N 15 120.689 0.03 . 1 . . . . . 16 VAL N . 26350 1 25 . 1 . 1 22 22 GLU H H 1 8.261 0.01 . 1 . . . . . 17 GLU H . 26350 1 26 . 1 . 1 22 22 GLU N N 15 124.707 0.03 . 1 . . . . . 17 GLU N . 26350 1 27 . 1 . 1 23 23 LEU H H 1 8.096 0.01 . 1 . . . . . 18 LEU H . 26350 1 28 . 1 . 1 23 23 LEU N N 15 124.250 0.03 . 1 . . . . . 18 LEU N . 26350 1 29 . 1 . 1 24 24 ASP H H 1 8.240 0.01 . 1 . . . . . 19 ASP H . 26350 1 30 . 1 . 1 24 24 ASP N N 15 123.572 0.03 . 1 . . . . . 19 ASP N . 26350 1 31 . 1 . 1 26 26 GLU H H 1 8.373 0.01 . 1 . . . . . 21 GLU H . 26350 1 32 . 1 . 1 26 26 GLU N N 15 119.895 0.03 . 1 . . . . . 21 GLU N . 26350 1 33 . 1 . 1 27 27 PHE H H 1 7.877 0.01 . 1 . . . . . 22 PHE H . 26350 1 34 . 1 . 1 27 27 PHE N N 15 120.711 0.03 . 1 . . . . . 22 PHE N . 26350 1 35 . 1 . 1 28 28 GLU H H 1 8.008 0.01 . 1 . . . . . 23 GLU H . 26350 1 36 . 1 . 1 28 28 GLU N N 15 124.683 0.03 . 1 . . . . . 23 GLU N . 26350 1 37 . 1 . 1 30 30 GLN H H 1 8.453 0.01 . 1 . . . . . 25 GLN H . 26350 1 38 . 1 . 1 30 30 GLN N N 15 119.964 0.03 . 1 . . . . . 25 GLN N . 26350 1 39 . 1 . 1 31 31 SER H H 1 8.124 0.01 . 1 . . . . . 26 SER H . 26350 1 40 . 1 . 1 31 31 SER N N 15 116.939 0.03 . 1 . . . . . 26 SER N . 26350 1 41 . 1 . 1 34 34 ARG H H 1 8.368 0.01 . 1 . . . . . 29 ARG H . 26350 1 42 . 1 . 1 34 34 ARG N N 15 122.175 0.03 . 1 . . . . . 29 ARG N . 26350 1 43 . 1 . 1 35 35 SER H H 1 8.426 0.01 . 1 . . . . . 30 SER H . 26350 1 44 . 1 . 1 35 35 SER N N 15 118.061 0.03 . 1 . . . . . 30 SER N . 26350 1 45 . 1 . 1 37 37 TPO H H 1 8.846 0.01 . 1 . . . . . 32 TPO H . 26350 1 46 . 1 . 1 37 37 TPO N N 15 119.957 0.03 . 1 . . . . . 32 TPO N . 26350 1 47 . 1 . 1 38 38 TRP H H 1 8.069 0.01 . 1 . . . . . 33 TRP H . 26350 1 48 . 1 . 1 38 38 TRP N N 15 125.999 0.03 . 1 . . . . . 33 TRP N . 26350 1 49 . 1 . 1 40 40 LEU H H 1 7.834 0.01 . 1 . . . . . 35 LEU H . 26350 1 50 . 1 . 1 40 40 LEU N N 15 122.187 0.03 . 1 . . . . . 35 LEU N . 26350 1 51 . 1 . 1 41 41 GLN H H 1 8.149 0.01 . 1 . . . . . 36 GLN H . 26350 1 52 . 1 . 1 41 41 GLN N N 15 121.176 0.03 . 1 . . . . . 36 GLN N . 26350 1 53 . 1 . 1 42 42 ARG H H 1 8.206 0.01 . 1 . . . . . 37 ARG H . 26350 1 54 . 1 . 1 42 42 ARG N N 15 123.811 0.03 . 1 . . . . . 37 ARG N . 26350 1 55 . 1 . 1 46 46 GLN H H 1 8.101 0.01 . 1 . . . . . 41 GLN H . 26350 1 56 . 1 . 1 46 46 GLN N N 15 121.423 0.03 . 1 . . . . . 41 GLN N . 26350 1 57 . 1 . 1 47 47 ALA H H 1 8.177 0.01 . 1 . . . . . 42 ALA H . 26350 1 58 . 1 . 1 47 47 ALA N N 15 125.929 0.03 . 1 . . . . . 42 ALA N . 26350 1 59 . 1 . 1 48 48 SER H H 1 8.207 0.01 . 1 . . . . . 43 SER H . 26350 1 60 . 1 . 1 48 48 SER N N 15 117.216 0.03 . 1 . . . . . 43 SER N . 26350 1 61 . 1 . 1 50 50 ALA H H 1 8.196 0.01 . 1 . . . . . 45 ALA H . 26350 1 62 . 1 . 1 50 50 ALA N N 15 124.796 0.03 . 1 . . . . . 45 ALA N . 26350 1 63 . 1 . 1 51 51 LYS H H 1 8.157 0.01 . 1 . . . . . 46 LYS H . 26350 1 64 . 1 . 1 51 51 LYS N N 15 122.404 0.03 . 1 . . . . . 46 LYS N . 26350 1 65 . 1 . 1 53 53 SER H H 1 8.356 0.01 . 1 . . . . . 48 SER H . 26350 1 66 . 1 . 1 53 53 SER N N 15 116.852 0.03 . 1 . . . . . 48 SER N . 26350 1 67 . 1 . 1 54 54 GLY H H 1 8.311 0.01 . 1 . . . . . 49 GLY H . 26350 1 68 . 1 . 1 54 54 GLY N N 15 111.335 0.03 . 1 . . . . . 49 GLY N . 26350 1 69 . 1 . 1 56 56 THR H H 1 8.156 0.01 . 1 . . . . . 51 THR H . 26350 1 70 . 1 . 1 56 56 THR N N 15 116.021 0.03 . 1 . . . . . 51 THR N . 26350 1 71 . 1 . 1 57 57 ALA H H 1 8.287 0.01 . 1 . . . . . 52 ALA H . 26350 1 72 . 1 . 1 57 57 ALA N N 15 127.339 0.03 . 1 . . . . . 52 ALA N . 26350 1 73 . 1 . 1 58 58 ALA H H 1 8.185 0.01 . 1 . . . . . 53 ALA H . 26350 1 74 . 1 . 1 58 58 ALA N N 15 123.878 0.03 . 1 . . . . . 53 ALA N . 26350 1 75 . 1 . 1 59 59 ASP H H 1 8.125 0.01 . 1 . . . . . 54 ASP H . 26350 1 76 . 1 . 1 59 59 ASP N N 15 119.417 0.03 . 1 . . . . . 54 ASP N . 26350 1 77 . 1 . 1 60 60 SER H H 1 7.994 0.01 . 1 . . . . . 55 SER H . 26350 1 78 . 1 . 1 60 60 SER N N 15 116.008 0.03 . 1 . . . . . 55 SER N . 26350 1 79 . 1 . 1 73 73 ASP H H 1 8.316 0.01 . 1 . . . . . 68 ASP H . 26350 1 80 . 1 . 1 73 73 ASP N N 15 121.320 0.03 . 1 . . . . . 68 ASP N . 26350 1 81 . 1 . 1 74 74 GLY H H 1 8.271 0.01 . 1 . . . . . 69 GLY H . 26350 1 82 . 1 . 1 74 74 GLY N N 15 110.277 0.03 . 1 . . . . . 69 GLY N . 26350 1 83 . 1 . 1 75 75 GLY H H 1 8.316 0.01 . 1 . . . . . 70 GLY H . 26350 1 84 . 1 . 1 75 75 GLY N N 15 109.629 0.03 . 1 . . . . . 70 GLY N . 26350 1 85 . 1 . 1 76 76 GLY H H 1 8.270 0.01 . 1 . . . . . 71 GLY H . 26350 1 86 . 1 . 1 76 76 GLY N N 15 109.674 0.03 . 1 . . . . . 71 GLY N . 26350 1 87 . 1 . 1 77 77 ARG H H 1 8.112 0.01 . 1 . . . . . 72 ARG H . 26350 1 88 . 1 . 1 77 77 ARG N N 15 121.255 0.03 . 1 . . . . . 72 ARG N . 26350 1 89 . 1 . 1 78 78 ALA H H 1 8.292 0.01 . 1 . . . . . 73 ALA H . 26350 1 90 . 1 . 1 78 78 ALA N N 15 125.374 0.03 . 1 . . . . . 73 ALA N . 26350 1 91 . 1 . 1 79 79 GLY H H 1 8.252 0.01 . 1 . . . . . 74 GLY H . 26350 1 92 . 1 . 1 79 79 GLY N N 15 108.770 0.03 . 1 . . . . . 74 GLY N . 26350 1 93 . 1 . 1 80 80 SER H H 1 8.051 0.01 . 1 . . . . . 75 SER H . 26350 1 94 . 1 . 1 80 80 SER N N 15 116.260 0.03 . 1 . . . . . 75 SER N . 26350 1 95 . 1 . 1 81 81 ALA H H 1 8.260 0.01 . 1 . . . . . 76 ALA H . 26350 1 96 . 1 . 1 81 81 ALA N N 15 126.203 0.03 . 1 . . . . . 76 ALA N . 26350 1 97 . 1 . 1 82 82 MET H H 1 8.068 0.01 . 1 . . . . . 77 MET H . 26350 1 98 . 1 . 1 82 82 MET N N 15 119.320 0.03 . 1 . . . . . 77 MET N . 26350 1 99 . 1 . 1 83 83 ALA H H 1 8.068 0.01 . 1 . . . . . 78 ALA H . 26350 1 100 . 1 . 1 83 83 ALA N N 15 125.618 0.03 . 1 . . . . . 78 ALA N . 26350 1 101 . 1 . 1 84 84 ILE H H 1 7.991 0.01 . 1 . . . . . 79 ILE H . 26350 1 102 . 1 . 1 84 84 ILE N N 15 120.666 0.03 . 1 . . . . . 79 ILE N . 26350 1 103 . 1 . 1 85 85 GLY H H 1 8.360 0.01 . 1 . . . . . 80 GLY H . 26350 1 104 . 1 . 1 85 85 GLY N N 15 113.207 0.03 . 1 . . . . . 80 GLY N . 26350 1 105 . 1 . 1 86 86 GLY H H 1 8.196 0.01 . 1 . . . . . 81 GLY H . 26350 1 106 . 1 . 1 86 86 GLY N N 15 109.425 0.03 . 1 . . . . . 81 GLY N . 26350 1 107 . 1 . 1 89 89 GLY H H 1 8.247 0.01 . 1 . . . . . 84 GLY H . 26350 1 108 . 1 . 1 89 89 GLY N N 15 109.596 0.03 . 1 . . . . . 84 GLY N . 26350 1 109 . 1 . 1 90 90 SER H H 1 8.232 0.01 . 1 . . . . . 85 SER H . 26350 1 110 . 1 . 1 90 90 SER N N 15 116.365 0.03 . 1 . . . . . 85 SER N . 26350 1 111 . 1 . 1 91 91 GLY H H 1 8.391 0.01 . 1 . . . . . 86 GLY H . 26350 1 112 . 1 . 1 91 91 GLY N N 15 111.434 0.03 . 1 . . . . . 86 GLY N . 26350 1 113 . 1 . 1 92 92 THR H H 1 7.975 0.01 . 1 . . . . . 87 THR H . 26350 1 114 . 1 . 1 92 92 THR N N 15 114.435 0.03 . 1 . . . . . 87 THR N . 26350 1 115 . 1 . 1 93 93 LEU H H 1 8.232 0.01 . 1 . . . . . 88 LEU H . 26350 1 116 . 1 . 1 93 93 LEU N N 15 125.115 0.03 . 1 . . . . . 88 LEU N . 26350 1 117 . 1 . 1 94 94 GLY H H 1 8.307 0.01 . 1 . . . . . 89 GLY H . 26350 1 118 . 1 . 1 94 94 GLY N N 15 110.367 0.03 . 1 . . . . . 89 GLY N . 26350 1 119 . 1 . 1 95 95 SER H H 1 8.136 0.01 . 1 . . . . . 90 SER H . 26350 1 120 . 1 . 1 95 95 SER N N 15 116.220 0.03 . 1 . . . . . 90 SER N . 26350 1 121 . 1 . 1 96 96 GLY H H 1 8.378 0.01 . 1 . . . . . 91 GLY H . 26350 1 122 . 1 . 1 96 96 GLY N N 15 111.426 0.03 . 1 . . . . . 91 GLY N . 26350 1 123 . 1 . 1 97 97 LEU H H 1 7.877 0.01 . 1 . . . . . 92 LEU H . 26350 1 124 . 1 . 1 97 97 LEU N N 15 122.043 0.03 . 1 . . . . . 92 LEU N . 26350 1 125 . 1 . 1 98 98 LEU H H 1 8.120 0.01 . 1 . . . . . 93 LEU H . 26350 1 126 . 1 . 1 98 98 LEU N N 15 123.431 0.03 . 1 . . . . . 93 LEU N . 26350 1 127 . 1 . 1 99 99 LEU H H 1 8.077 0.01 . 1 . . . . . 94 LEU H . 26350 1 128 . 1 . 1 99 99 LEU N N 15 123.829 0.03 . 1 . . . . . 94 LEU N . 26350 1 129 . 1 . 1 102 102 SER H H 1 8.148 0.01 . 1 . . . . . 97 SER H . 26350 1 130 . 1 . 1 102 102 SER N N 15 117.053 0.03 . 1 . . . . . 97 SER N . 26350 1 131 . 1 . 1 103 103 ALA H H 1 8.109 0.01 . 1 . . . . . 98 ALA H . 26350 1 132 . 1 . 1 103 103 ALA N N 15 125.371 0.03 . 1 . . . . . 98 ALA N . 26350 1 133 . 1 . 1 104 104 ARG H H 1 7.874 0.01 . 1 . . . . . 99 ARG H . 26350 1 134 . 1 . 1 104 104 ARG N N 15 119.968 0.03 . 1 . . . . . 99 ARG N . 26350 1 135 . 1 . 1 105 105 VAL H H 1 7.906 0.01 . 1 . . . . . 100 VAL H . 26350 1 136 . 1 . 1 105 105 VAL N N 15 121.481 0.03 . 1 . . . . . 100 VAL N . 26350 1 137 . 1 . 1 106 106 LEU H H 1 8.128 0.01 . 1 . . . . . 101 LEU H . 26350 1 138 . 1 . 1 106 106 LEU N N 15 126.384 0.03 . 1 . . . . . 101 LEU N . 26350 1 139 . 1 . 1 107 107 ALA H H 1 8.099 0.01 . 1 . . . . . 102 ALA H . 26350 1 140 . 1 . 1 107 107 ALA N N 15 126.585 0.03 . 1 . . . . . 102 ALA N . 26350 1 141 . 1 . 1 109 109 GLY H H 1 8.397 0.01 . 1 . . . . . 104 GLY H . 26350 1 142 . 1 . 1 109 109 GLY N N 15 110.049 0.03 . 1 . . . . . 104 GLY N . 26350 1 143 . 1 . 1 110 110 GLY H H 1 8.173 0.01 . 1 . . . . . 105 GLY H . 26350 1 144 . 1 . 1 110 110 GLY N N 15 109.292 0.03 . 1 . . . . . 105 GLY N . 26350 1 145 . 1 . 1 111 111 GLN H H 1 8.134 0.01 . 1 . . . . . 106 GLN H . 26350 1 146 . 1 . 1 111 111 GLN N N 15 120.089 0.03 . 1 . . . . . 106 GLN N . 26350 1 147 . 1 . 1 112 112 ASP H H 1 8.347 0.01 . 1 . . . . . 107 ASP H . 26350 1 148 . 1 . 1 112 112 ASP N N 15 123.966 0.03 . 1 . . . . . 107 ASP N . 26350 1 149 . 1 . 1 114 114 GLY H H 1 8.447 0.01 . 1 . . . . . 109 GLY H . 26350 1 150 . 1 . 1 114 114 GLY N N 15 109.339 0.03 . 1 . . . . . 109 GLY N . 26350 1 151 . 1 . 1 115 115 SER H H 1 7.983 0.01 . 1 . . . . . 110 SER H . 26350 1 152 . 1 . 1 115 115 SER N N 15 116.004 0.03 . 1 . . . . . 110 SER N . 26350 1 153 . 1 . 1 116 116 GLY H H 1 8.160 0.01 . 1 . . . . . 111 GLY H . 26350 1 154 . 1 . 1 116 116 GLY N N 15 111.289 0.03 . 1 . . . . . 111 GLY N . 26350 1 155 . 1 . 1 118 118 ALA H H 1 8.337 0.01 . 1 . . . . . 113 ALA H . 26350 1 156 . 1 . 1 118 118 ALA N N 15 124.468 0.03 . 1 . . . . . 113 ALA N . 26350 1 157 . 1 . 1 119 119 THR H H 1 7.924 0.01 . 1 . . . . . 114 THR H . 26350 1 158 . 1 . 1 119 119 THR N N 15 113.411 0.03 . 1 . . . . . 114 THR N . 26350 1 159 . 1 . 1 120 120 ALA H H 1 8.158 0.01 . 1 . . . . . 115 ALA H . 26350 1 160 . 1 . 1 120 120 ALA N N 15 126.775 0.03 . 1 . . . . . 115 ALA N . 26350 1 161 . 1 . 1 121 121 ALA H H 1 8.154 0.01 . 1 . . . . . 116 ALA H . 26350 1 162 . 1 . 1 121 121 ALA N N 15 123.859 0.03 . 1 . . . . . 116 ALA N . 26350 1 163 . 1 . 1 122 122 GLY H H 1 8.212 0.01 . 1 . . . . . 117 GLY H . 26350 1 164 . 1 . 1 122 122 GLY N N 15 108.618 0.03 . 1 . . . . . 117 GLY N . 26350 1 165 . 1 . 1 123 123 GLY H H 1 8.114 0.01 . 1 . . . . . 118 GLY H . 26350 1 166 . 1 . 1 123 123 GLY N N 15 109.177 0.03 . 1 . . . . . 118 GLY N . 26350 1 167 . 1 . 1 125 125 SER H H 1 8.250 0.01 . 1 . . . . . 120 SER H . 26350 1 168 . 1 . 1 125 125 SER N N 15 116.914 0.03 . 1 . . . . . 120 SER N . 26350 1 169 . 1 . 1 126 126 GLY H H 1 8.296 0.01 . 1 . . . . . 121 GLY H . 26350 1 170 . 1 . 1 126 126 GLY N N 15 111.353 0.03 . 1 . . . . . 121 GLY N . 26350 1 171 . 1 . 1 127 127 GLY H H 1 8.171 0.01 . 1 . . . . . 122 GLY H . 26350 1 172 . 1 . 1 127 127 GLY N N 15 109.288 0.03 . 1 . . . . . 122 GLY N . 26350 1 173 . 1 . 1 128 128 THR H H 1 8.030 0.01 . 1 . . . . . 123 THR H . 26350 1 174 . 1 . 1 128 128 THR N N 15 114.438 0.03 . 1 . . . . . 123 THR N . 26350 1 175 . 1 . 1 129 129 GLN H H 1 8.327 0.01 . 1 . . . . . 124 GLN H . 26350 1 176 . 1 . 1 129 129 GLN N N 15 123.138 0.03 . 1 . . . . . 124 GLN N . 26350 1 177 . 1 . 1 130 130 ALA H H 1 8.120 0.01 . 1 . . . . . 125 ALA H . 26350 1 178 . 1 . 1 130 130 ALA N N 15 125.367 0.03 . 1 . . . . . 125 ALA N . 26350 1 179 . 1 . 1 131 131 LEU H H 1 7.962 0.01 . 1 . . . . . 126 LEU H . 26350 1 180 . 1 . 1 131 131 LEU N N 15 121.268 0.03 . 1 . . . . . 126 LEU N . 26350 1 181 . 1 . 1 132 132 LEU H H 1 7.987 0.01 . 1 . . . . . 127 LEU H . 26350 1 182 . 1 . 1 132 132 LEU N N 15 123.129 0.03 . 1 . . . . . 127 LEU N . 26350 1 183 . 1 . 1 133 133 GLN H H 1 8.132 0.01 . 1 . . . . . 128 GLN H . 26350 1 184 . 1 . 1 133 133 GLN N N 15 122.393 0.03 . 1 . . . . . 128 GLN N . 26350 1 185 . 1 . 1 144 144 GLY H H 1 8.395 0.01 . 1 . . . . . 139 GLY H . 26350 1 186 . 1 . 1 144 144 GLY N N 15 110.055 0.03 . 1 . . . . . 139 GLY N . 26350 1 187 . 1 . 1 145 145 ALA H H 1 7.980 0.01 . 1 . . . . . 140 ALA H . 26350 1 188 . 1 . 1 145 145 ALA N N 15 124.375 0.03 . 1 . . . . . 140 ALA N . 26350 1 189 . 1 . 1 146 146 ALA H H 1 8.250 0.01 . 1 . . . . . 141 ALA H . 26350 1 190 . 1 . 1 146 146 ALA N N 15 123.875 0.03 . 1 . . . . . 141 ALA N . 26350 1 191 . 1 . 1 147 147 GLY H H 1 8.239 0.01 . 1 . . . . . 142 GLY H . 26350 1 192 . 1 . 1 147 147 GLY N N 15 108.714 0.03 . 1 . . . . . 142 GLY N . 26350 1 193 . 1 . 1 148 148 GLY H H 1 8.151 0.01 . 1 . . . . . 143 GLY H . 26350 1 194 . 1 . 1 148 148 GLY N N 15 109.435 0.03 . 1 . . . . . 143 GLY N . 26350 1 195 . 1 . 1 149 149 SER H H 1 8.249 0.01 . 1 . . . . . 144 SER H . 26350 1 196 . 1 . 1 149 149 SER N N 15 116.359 0.03 . 1 . . . . . 144 SER N . 26350 1 197 . 1 . 1 150 150 GLY H H 1 8.404 0.01 . 1 . . . . . 145 GLY H . 26350 1 198 . 1 . 1 150 150 GLY N N 15 111.380 0.03 . 1 . . . . . 145 GLY N . 26350 1 199 . 1 . 1 151 151 GLN H H 1 8.046 0.01 . 1 . . . . . 146 GLN H . 26350 1 200 . 1 . 1 151 151 GLN N N 15 121.293 0.03 . 1 . . . . . 146 GLN N . 26350 1 201 . 1 . 1 158 158 ARG H H 1 8.232 0.01 . 1 . . . . . 153 ARG H . 26350 1 202 . 1 . 1 158 158 ARG N N 15 123.748 0.03 . 1 . . . . . 153 ARG N . 26350 1 203 . 1 . 1 159 159 ARG H H 1 8.161 0.01 . 1 . . . . . 154 ARG H . 26350 1 204 . 1 . 1 159 159 ARG N N 15 122.521 0.03 . 1 . . . . . 154 ARG N . 26350 1 205 . 1 . 1 162 162 TRP H H 1 7.389 0.01 . 1 . . . . . 157 TRP H . 26350 1 206 . 1 . 1 162 162 TRP N N 15 116.738 0.03 . 1 . . . . . 157 TRP N . 26350 1 207 . 1 . 1 163 163 GLY H H 1 7.735 0.01 . 1 . . . . . 158 GLY H . 26350 1 208 . 1 . 1 163 163 GLY N N 15 110.128 0.03 . 1 . . . . . 158 GLY N . 26350 1 209 . 1 . 1 164 164 ASN H H 1 8.263 0.01 . 1 . . . . . 159 ASN H . 26350 1 210 . 1 . 1 164 164 ASN N N 15 119.197 0.03 . 1 . . . . . 159 ASN N . 26350 1 211 . 1 . 1 165 165 LEU H H 1 7.653 0.01 . 1 . . . . . 160 LEU H . 26350 1 212 . 1 . 1 165 165 LEU N N 15 121.502 0.03 . 1 . . . . . 160 LEU N . 26350 1 213 . 1 . 1 166 166 SER H H 1 8.893 0.01 . 1 . . . . . 161 SER H . 26350 1 214 . 1 . 1 166 166 SER N N 15 118.800 0.03 . 1 . . . . . 161 SER N . 26350 1 215 . 1 . 1 167 167 TYR H H 1 8.801 0.01 . 1 . . . . . 162 TYR H . 26350 1 216 . 1 . 1 167 167 TYR N N 15 121.344 0.03 . 1 . . . . . 162 TYR N . 26350 1 217 . 1 . 1 168 168 ALA H H 1 8.635 0.01 . 1 . . . . . 163 ALA H . 26350 1 218 . 1 . 1 168 168 ALA N N 15 120.192 0.03 . 1 . . . . . 163 ALA N . 26350 1 219 . 1 . 1 169 169 ASP H H 1 7.990 0.01 . 1 . . . . . 164 ASP H . 26350 1 220 . 1 . 1 169 169 ASP N N 15 121.377 0.03 . 1 . . . . . 164 ASP N . 26350 1 221 . 1 . 1 171 171 ILE H H 1 8.396 0.01 . 1 . . . . . 166 ILE H . 26350 1 222 . 1 . 1 171 171 ILE N N 15 119.153 0.03 . 1 . . . . . 166 ILE N . 26350 1 223 . 1 . 1 172 172 THR H H 1 7.814 0.01 . 1 . . . . . 167 THR H . 26350 1 224 . 1 . 1 172 172 THR N N 15 115.763 0.03 . 1 . . . . . 167 THR N . 26350 1 225 . 1 . 1 173 173 ARG H H 1 7.551 0.01 . 1 . . . . . 168 ARG H . 26350 1 226 . 1 . 1 173 173 ARG N N 15 120.705 0.03 . 1 . . . . . 168 ARG N . 26350 1 227 . 1 . 1 174 174 ALA H H 1 7.376 0.01 . 1 . . . . . 169 ALA H . 26350 1 228 . 1 . 1 174 174 ALA N N 15 123.875 0.03 . 1 . . . . . 169 ALA N . 26350 1 229 . 1 . 1 175 175 ILE H H 1 7.921 0.01 . 1 . . . . . 170 ILE H . 26350 1 230 . 1 . 1 175 175 ILE N N 15 118.706 0.03 . 1 . . . . . 170 ILE N . 26350 1 231 . 1 . 1 176 176 GLU H H 1 8.668 0.01 . 1 . . . . . 171 GLU H . 26350 1 232 . 1 . 1 176 176 GLU N N 15 118.834 0.03 . 1 . . . . . 171 GLU N . 26350 1 233 . 1 . 1 178 178 SER H H 1 7.450 0.01 . 1 . . . . . 173 SER H . 26350 1 234 . 1 . 1 178 178 SER N N 15 120.756 0.03 . 1 . . . . . 173 SER N . 26350 1 235 . 1 . 1 180 180 ASP H H 1 8.142 0.01 . 1 . . . . . 175 ASP H . 26350 1 236 . 1 . 1 180 180 ASP N N 15 114.336 0.03 . 1 . . . . . 175 ASP N . 26350 1 237 . 1 . 1 181 181 LYS H H 1 7.840 0.01 . 1 . . . . . 176 LYS H . 26350 1 238 . 1 . 1 181 181 LYS N N 15 116.953 0.03 . 1 . . . . . 176 LYS N . 26350 1 239 . 1 . 1 182 182 ARG H H 1 7.237 0.01 . 1 . . . . . 177 ARG H . 26350 1 240 . 1 . 1 182 182 ARG N N 15 113.298 0.03 . 1 . . . . . 177 ARG N . 26350 1 241 . 1 . 1 183 183 LEU H H 1 8.490 0.01 . 1 . . . . . 178 LEU H . 26350 1 242 . 1 . 1 183 183 LEU N N 15 120.389 0.03 . 1 . . . . . 178 LEU N . 26350 1 243 . 1 . 1 184 184 THR H H 1 8.817 0.01 . 1 . . . . . 179 THR H . 26350 1 244 . 1 . 1 184 184 THR N N 15 113.081 0.03 . 1 . . . . . 179 THR N . 26350 1 245 . 1 . 1 185 185 LEU H H 1 9.322 0.01 . 1 . . . . . 180 LEU H . 26350 1 246 . 1 . 1 185 185 LEU N N 15 122.859 0.03 . 1 . . . . . 180 LEU N . 26350 1 247 . 1 . 1 186 186 SER H H 1 8.309 0.01 . 1 . . . . . 181 SER H . 26350 1 248 . 1 . 1 186 186 SER N N 15 111.745 0.03 . 1 . . . . . 181 SER N . 26350 1 249 . 1 . 1 187 187 GLN H H 1 7.553 0.01 . 1 . . . . . 182 GLN H . 26350 1 250 . 1 . 1 187 187 GLN N N 15 120.897 0.03 . 1 . . . . . 182 GLN N . 26350 1 251 . 1 . 1 188 188 ILE H H 1 8.295 0.01 . 1 . . . . . 183 ILE H . 26350 1 252 . 1 . 1 188 188 ILE N N 15 125.032 0.03 . 1 . . . . . 183 ILE N . 26350 1 253 . 1 . 1 189 189 TYR H H 1 8.086 0.01 . 1 . . . . . 184 TYR H . 26350 1 254 . 1 . 1 189 189 TYR N N 15 118.786 0.03 . 1 . . . . . 184 TYR N . 26350 1 255 . 1 . 1 190 190 GLU H H 1 8.110 0.01 . 1 . . . . . 185 GLU H . 26350 1 256 . 1 . 1 190 190 GLU N N 15 118.101 0.03 . 1 . . . . . 185 GLU N . 26350 1 257 . 1 . 1 192 192 MET H H 1 8.160 0.01 . 1 . . . . . 187 MET H . 26350 1 258 . 1 . 1 192 192 MET N N 15 117.454 0.03 . 1 . . . . . 187 MET N . 26350 1 259 . 1 . 1 193 193 VAL H H 1 7.348 0.01 . 1 . . . . . 188 VAL H . 26350 1 260 . 1 . 1 193 193 VAL N N 15 115.044 0.03 . 1 . . . . . 188 VAL N . 26350 1 261 . 1 . 1 194 194 ARG H H 1 7.615 0.01 . 1 . . . . . 189 ARG H . 26350 1 262 . 1 . 1 194 194 ARG N N 15 118.985 0.03 . 1 . . . . . 189 ARG N . 26350 1 263 . 1 . 1 195 195 CYS H H 1 7.924 0.01 . 1 . . . . . 190 CYS H . 26350 1 264 . 1 . 1 195 195 CYS N N 15 113.480 0.03 . 1 . . . . . 190 CYS N . 26350 1 265 . 1 . 1 196 196 VAL H H 1 7.703 0.01 . 1 . . . . . 191 VAL H . 26350 1 266 . 1 . 1 196 196 VAL N N 15 122.316 0.03 . 1 . . . . . 191 VAL N . 26350 1 267 . 1 . 1 198 198 TYR H H 1 7.520 0.01 . 1 . . . . . 193 TYR H . 26350 1 268 . 1 . 1 198 198 TYR N N 15 115.747 0.03 . 1 . . . . . 193 TYR N . 26350 1 269 . 1 . 1 199 199 PHE H H 1 7.330 0.01 . 1 . . . . . 194 PHE H . 26350 1 270 . 1 . 1 199 199 PHE N N 15 114.792 0.03 . 1 . . . . . 194 PHE N . 26350 1 271 . 1 . 1 200 200 LYS H H 1 7.415 0.01 . 1 . . . . . 195 LYS H . 26350 1 272 . 1 . 1 200 200 LYS N N 15 120.949 0.03 . 1 . . . . . 195 LYS N . 26350 1 273 . 1 . 1 201 201 ASP H H 1 8.088 0.01 . 1 . . . . . 196 ASP H . 26350 1 274 . 1 . 1 201 201 ASP N N 15 117.840 0.03 . 1 . . . . . 196 ASP N . 26350 1 275 . 1 . 1 202 202 LYS H H 1 7.745 0.01 . 1 . . . . . 197 LYS H . 26350 1 276 . 1 . 1 202 202 LYS N N 15 120.397 0.03 . 1 . . . . . 197 LYS N . 26350 1 277 . 1 . 1 203 203 GLY H H 1 8.436 0.01 . 1 . . . . . 198 GLY H . 26350 1 278 . 1 . 1 203 203 GLY N N 15 108.763 0.03 . 1 . . . . . 198 GLY N . 26350 1 279 . 1 . 1 204 204 ASP H H 1 8.093 0.01 . 1 . . . . . 199 ASP H . 26350 1 280 . 1 . 1 204 204 ASP N N 15 120.162 0.03 . 1 . . . . . 199 ASP N . 26350 1 281 . 1 . 1 206 206 ASN H H 1 8.425 0.01 . 1 . . . . . 201 ASN H . 26350 1 282 . 1 . 1 206 206 ASN N N 15 120.451 0.03 . 1 . . . . . 201 ASN N . 26350 1 283 . 1 . 1 207 207 SER H H 1 8.211 0.01 . 1 . . . . . 202 SER H . 26350 1 284 . 1 . 1 207 207 SER N N 15 116.353 0.03 . 1 . . . . . 202 SER N . 26350 1 285 . 1 . 1 209 209 ALA H H 1 7.514 0.01 . 1 . . . . . 204 ALA H . 26350 1 286 . 1 . 1 209 209 ALA N N 15 124.573 0.03 . 1 . . . . . 204 ALA N . 26350 1 287 . 1 . 1 210 210 GLY H H 1 8.192 0.01 . 1 . . . . . 205 GLY H . 26350 1 288 . 1 . 1 210 210 GLY N N 15 107.545 0.03 . 1 . . . . . 205 GLY N . 26350 1 289 . 1 . 1 211 211 TRP H H 1 8.065 0.01 . 1 . . . . . 206 TRP H . 26350 1 290 . 1 . 1 211 211 TRP N N 15 123.231 0.03 . 1 . . . . . 206 TRP N . 26350 1 291 . 1 . 1 212 212 LYS H H 1 7.278 0.01 . 1 . . . . . 207 LYS H . 26350 1 292 . 1 . 1 212 212 LYS N N 15 122.966 0.03 . 1 . . . . . 207 LYS N . 26350 1 293 . 1 . 1 213 213 ASN H H 1 7.683 0.01 . 1 . . . . . 208 ASN H . 26350 1 294 . 1 . 1 213 213 ASN N N 15 119.554 0.03 . 1 . . . . . 208 ASN N . 26350 1 295 . 1 . 1 214 214 SER H H 1 8.028 0.01 . 1 . . . . . 209 SER H . 26350 1 296 . 1 . 1 214 214 SER N N 15 118.061 0.03 . 1 . . . . . 209 SER N . 26350 1 297 . 1 . 1 216 216 ARG H H 1 7.776 0.01 . 1 . . . . . 211 ARG H . 26350 1 298 . 1 . 1 216 216 ARG N N 15 119.307 0.03 . 1 . . . . . 211 ARG N . 26350 1 299 . 1 . 1 217 217 HIS H H 1 8.339 0.01 . 1 . . . . . 212 HIS H . 26350 1 300 . 1 . 1 217 217 HIS N N 15 117.931 0.03 . 1 . . . . . 212 HIS N . 26350 1 301 . 1 . 1 218 218 ASN H H 1 7.853 0.01 . 1 . . . . . 213 ASN H . 26350 1 302 . 1 . 1 218 218 ASN N N 15 118.072 0.03 . 1 . . . . . 213 ASN N . 26350 1 303 . 1 . 1 219 219 LEU H H 1 7.739 0.01 . 1 . . . . . 214 LEU H . 26350 1 304 . 1 . 1 219 219 LEU N N 15 120.108 0.03 . 1 . . . . . 214 LEU N . 26350 1 305 . 1 . 1 220 220 SER H H 1 7.073 0.01 . 1 . . . . . 215 SER H . 26350 1 306 . 1 . 1 220 220 SER N N 15 110.077 0.03 . 1 . . . . . 215 SER N . 26350 1 307 . 1 . 1 221 221 LEU H H 1 7.368 0.01 . 1 . . . . . 216 LEU H . 26350 1 308 . 1 . 1 221 221 LEU N N 15 121.491 0.03 . 1 . . . . . 216 LEU N . 26350 1 309 . 1 . 1 225 225 PHE H H 1 7.959 0.01 . 1 . . . . . 220 PHE H . 26350 1 310 . 1 . 1 225 225 PHE N N 15 118.822 0.03 . 1 . . . . . 220 PHE N . 26350 1 311 . 1 . 1 226 226 MET H H 1 9.181 0.01 . 1 . . . . . 221 MET H . 26350 1 312 . 1 . 1 226 226 MET N N 15 120.982 0.03 . 1 . . . . . 221 MET N . 26350 1 313 . 1 . 1 228 228 VAL H H 1 8.933 0.01 . 1 . . . . . 223 VAL H . 26350 1 314 . 1 . 1 228 228 VAL N N 15 125.978 0.03 . 1 . . . . . 223 VAL N . 26350 1 315 . 1 . 1 229 229 GLN H H 1 8.349 0.01 . 1 . . . . . 224 GLN H . 26350 1 316 . 1 . 1 229 229 GLN N N 15 124.528 0.03 . 1 . . . . . 224 GLN N . 26350 1 317 . 1 . 1 230 230 ASN H H 1 8.403 0.01 . 1 . . . . . 225 ASN H . 26350 1 318 . 1 . 1 230 230 ASN N N 15 122.419 0.03 . 1 . . . . . 225 ASN N . 26350 1 319 . 1 . 1 231 231 GLU H H 1 8.565 0.01 . 1 . . . . . 226 GLU H . 26350 1 320 . 1 . 1 231 231 GLU N N 15 123.186 0.03 . 1 . . . . . 226 GLU N . 26350 1 321 . 1 . 1 232 232 GLY H H 1 8.412 0.01 . 1 . . . . . 227 GLY H . 26350 1 322 . 1 . 1 232 232 GLY N N 15 110.019 0.03 . 1 . . . . . 227 GLY N . 26350 1 323 . 1 . 1 233 233 THR H H 1 8.031 0.01 . 1 . . . . . 228 THR H . 26350 1 324 . 1 . 1 233 233 THR N N 15 114.493 0.03 . 1 . . . . . 228 THR N . 26350 1 325 . 1 . 1 234 234 GLY H H 1 8.424 0.01 . 1 . . . . . 229 GLY H . 26350 1 326 . 1 . 1 234 234 GLY N N 15 112.646 0.03 . 1 . . . . . 229 GLY N . 26350 1 327 . 1 . 1 236 236 SER H H 1 8.059 0.01 . 1 . . . . . 231 SER H . 26350 1 328 . 1 . 1 236 236 SER N N 15 117.248 0.03 . 1 . . . . . 231 SER N . 26350 1 329 . 1 . 1 237 237 SER H H 1 8.064 0.01 . 1 . . . . . 232 SER H . 26350 1 330 . 1 . 1 237 237 SER N N 15 117.436 0.03 . 1 . . . . . 232 SER N . 26350 1 331 . 1 . 1 238 238 TRP H H 1 8.270 0.01 . 1 . . . . . 233 TRP H . 26350 1 332 . 1 . 1 238 238 TRP N N 15 121.539 0.03 . 1 . . . . . 233 TRP N . 26350 1 333 . 1 . 1 239 239 TRP H H 1 9.055 0.01 . 1 . . . . . 234 TRP H . 26350 1 334 . 1 . 1 239 239 TRP N N 15 122.594 0.03 . 1 . . . . . 234 TRP N . 26350 1 335 . 1 . 1 240 240 ILE H H 1 8.879 0.01 . 1 . . . . . 235 ILE H . 26350 1 336 . 1 . 1 240 240 ILE N N 15 113.462 0.03 . 1 . . . . . 235 ILE N . 26350 1 337 . 1 . 1 241 241 ILE H H 1 8.806 0.01 . 1 . . . . . 236 ILE H . 26350 1 338 . 1 . 1 241 241 ILE N N 15 121.666 0.03 . 1 . . . . . 236 ILE N . 26350 1 339 . 1 . 1 242 242 ASN H H 1 8.521 0.01 . 1 . . . . . 237 ASN H . 26350 1 340 . 1 . 1 242 242 ASN N N 15 127.044 0.03 . 1 . . . . . 237 ASN N . 26350 1 341 . 1 . 1 244 244 ASP H H 1 7.870 0.01 . 1 . . . . . 239 ASP H . 26350 1 342 . 1 . 1 244 244 ASP N N 15 119.008 0.03 . 1 . . . . . 239 ASP N . 26350 1 343 . 1 . 1 245 245 GLY H H 1 7.858 0.01 . 1 . . . . . 240 GLY H . 26350 1 344 . 1 . 1 245 245 GLY N N 15 109.281 0.03 . 1 . . . . . 240 GLY N . 26350 1 345 . 1 . 1 246 246 GLY H H 1 8.196 0.01 . 1 . . . . . 241 GLY H . 26350 1 346 . 1 . 1 246 246 GLY N N 15 109.193 0.03 . 1 . . . . . 241 GLY N . 26350 1 347 . 1 . 1 247 247 LYS H H 1 7.972 0.01 . 1 . . . . . 242 LYS H . 26350 1 348 . 1 . 1 247 247 LYS N N 15 121.155 0.03 . 1 . . . . . 242 LYS N . 26350 1 349 . 1 . 1 248 248 SER H H 1 8.239 0.01 . 1 . . . . . 243 SER H . 26350 1 350 . 1 . 1 248 248 SER N N 15 116.700 0.03 . 1 . . . . . 243 SER N . 26350 1 351 . 1 . 1 249 249 GLY H H 1 8.247 0.01 . 1 . . . . . 244 GLY H . 26350 1 352 . 1 . 1 249 249 GLY N N 15 111.351 0.03 . 1 . . . . . 244 GLY N . 26350 1 353 . 1 . 1 250 250 LYS H H 1 7.997 0.01 . 1 . . . . . 245 LYS H . 26350 1 354 . 1 . 1 250 250 LYS N N 15 121.226 0.03 . 1 . . . . . 245 LYS N . 26350 1 355 . 1 . 1 251 251 ALA H H 1 8.184 0.01 . 1 . . . . . 246 ALA H . 26350 1 356 . 1 . 1 251 251 ALA N N 15 127.097 0.03 . 1 . . . . . 246 ALA N . 26350 1 357 . 1 . 1 253 253 ARG H H 1 8.344 0.01 . 1 . . . . . 248 ARG H . 26350 1 358 . 1 . 1 253 253 ARG N N 15 122.173 0.03 . 1 . . . . . 248 ARG N . 26350 1 359 . 1 . 1 255 255 ARG H H 1 8.438 0.01 . 1 . . . . . 250 ARG H . 26350 1 360 . 1 . 1 255 255 ARG N N 15 123.567 0.03 . 1 . . . . . 250 ARG N . 26350 1 361 . 1 . 1 256 256 ALA H H 1 8.347 0.01 . 1 . . . . . 251 ALA H . 26350 1 362 . 1 . 1 256 256 ALA N N 15 126.677 0.03 . 1 . . . . . 251 ALA N . 26350 1 363 . 1 . 1 257 257 VAL H H 1 7.965 0.01 . 1 . . . . . 252 VAL H . 26350 1 364 . 1 . 1 257 257 VAL N N 15 118.826 0.03 . 1 . . . . . 252 VAL N . 26350 1 365 . 1 . 1 258 258 SEP H H 1 8.641 0.01 . 1 . . . . . 253 SEP H . 26350 1 366 . 1 . 1 258 258 SEP N N 15 120.653 0.03 . 1 . . . . . 253 SEP N . 26350 1 367 . 1 . 1 259 259 MET H H 1 8.232 0.01 . 1 . . . . . 254 MET H . 26350 1 368 . 1 . 1 259 259 MET N N 15 122.375 0.03 . 1 . . . . . 254 MET N . 26350 1 369 . 1 . 1 260 260 ASP H H 1 8.210 0.01 . 1 . . . . . 255 ASP H . 26350 1 370 . 1 . 1 260 260 ASP N N 15 121.785 0.03 . 1 . . . . . 255 ASP N . 26350 1 371 . 1 . 1 261 261 ASN H H 1 8.316 0.01 . 1 . . . . . 256 ASN H . 26350 1 372 . 1 . 1 261 261 ASN N N 15 120.696 0.03 . 1 . . . . . 256 ASN N . 26350 1 373 . 1 . 1 262 262 SER H H 1 8.318 0.01 . 1 . . . . . 257 SER H . 26350 1 374 . 1 . 1 262 262 SER N N 15 116.691 0.03 . 1 . . . . . 257 SER N . 26350 1 375 . 1 . 1 263 263 ASN H H 1 8.290 0.01 . 1 . . . . . 258 ASN H . 26350 1 376 . 1 . 1 263 263 ASN N N 15 120.752 0.03 . 1 . . . . . 258 ASN N . 26350 1 377 . 1 . 1 264 264 LYS H H 1 7.953 0.01 . 1 . . . . . 259 LYS H . 26350 1 378 . 1 . 1 264 264 LYS N N 15 121.167 0.03 . 1 . . . . . 259 LYS N . 26350 1 379 . 1 . 1 265 265 TYR H H 1 8.028 0.01 . 1 . . . . . 260 TYR H . 26350 1 380 . 1 . 1 265 265 TYR N N 15 120.167 0.03 . 1 . . . . . 260 TYR N . 26350 1 381 . 1 . 1 266 266 THR H H 1 7.846 0.01 . 1 . . . . . 261 THR H . 26350 1 382 . 1 . 1 266 266 THR N N 15 116.039 0.03 . 1 . . . . . 261 THR N . 26350 1 383 . 1 . 1 268 268 SER H H 1 8.150 0.01 . 1 . . . . . 263 SER H . 26350 1 384 . 1 . 1 268 268 SER N N 15 117.015 0.03 . 1 . . . . . 263 SER N . 26350 1 385 . 1 . 1 269 269 ARG H H 1 8.261 0.01 . 1 . . . . . 264 ARG H . 26350 1 386 . 1 . 1 269 269 ARG N N 15 123.645 0.03 . 1 . . . . . 264 ARG N . 26350 1 387 . 1 . 1 270 270 GLY H H 1 8.301 0.01 . 1 . . . . . 265 GLY H . 26350 1 388 . 1 . 1 270 270 GLY N N 15 110.126 0.03 . 1 . . . . . 265 GLY N . 26350 1 389 . 1 . 1 271 271 ARG H H 1 8.128 0.01 . 1 . . . . . 266 ARG H . 26350 1 390 . 1 . 1 271 271 ARG N N 15 121.568 0.03 . 1 . . . . . 266 ARG N . 26350 1 391 . 1 . 1 274 274 LYS H H 1 8.113 0.01 . 1 . . . . . 269 LYS H . 26350 1 392 . 1 . 1 274 274 LYS N N 15 121.442 0.03 . 1 . . . . . 269 LYS N . 26350 1 393 . 1 . 1 275 275 LYS H H 1 8.172 0.01 . 1 . . . . . 270 LYS H . 26350 1 394 . 1 . 1 275 275 LYS N N 15 123.291 0.03 . 1 . . . . . 270 LYS N . 26350 1 395 . 1 . 1 276 276 LYS H H 1 8.229 0.01 . 1 . . . . . 271 LYS H . 26350 1 396 . 1 . 1 276 276 LYS N N 15 123.678 0.03 . 1 . . . . . 271 LYS N . 26350 1 397 . 1 . 1 279 279 LEU H H 1 8.014 0.01 . 1 . . . . . 274 LEU H . 26350 1 398 . 1 . 1 279 279 LEU N N 15 121.436 0.03 . 1 . . . . . 274 LEU N . 26350 1 399 . 1 . 1 280 280 GLN H H 1 8.237 0.01 . 1 . . . . . 275 GLN H . 26350 1 400 . 1 . 1 280 280 GLN N N 15 121.560 0.03 . 1 . . . . . 275 GLN N . 26350 1 401 . 1 . 1 281 281 THR H H 1 7.996 0.01 . 1 . . . . . 276 THR H . 26350 1 402 . 1 . 1 281 281 THR N N 15 115.809 0.03 . 1 . . . . . 276 THR N . 26350 1 403 . 1 . 1 282 282 ALA H H 1 8.182 0.01 . 1 . . . . . 277 ALA H . 26350 1 404 . 1 . 1 282 282 ALA N N 15 128.053 0.03 . 1 . . . . . 277 ALA N . 26350 1 405 . 1 . 1 284 284 GLU H H 1 8.488 0.01 . 1 . . . . . 279 GLU H . 26350 1 406 . 1 . 1 284 284 GLU N N 15 121.238 0.03 . 1 . . . . . 279 GLU N . 26350 1 407 . 1 . 1 285 285 SER H H 1 8.176 0.01 . 1 . . . . . 280 SER H . 26350 1 408 . 1 . 1 285 285 SER N N 15 117.063 0.03 . 1 . . . . . 280 SER N . 26350 1 409 . 1 . 1 286 286 ALA H H 1 8.280 0.01 . 1 . . . . . 281 ALA H . 26350 1 410 . 1 . 1 286 286 ALA N N 15 126.842 0.03 . 1 . . . . . 281 ALA N . 26350 1 411 . 1 . 1 287 287 ASP H H 1 8.158 0.01 . 1 . . . . . 282 ASP H . 26350 1 412 . 1 . 1 287 287 ASP N N 15 120.082 0.03 . 1 . . . . . 282 ASP N . 26350 1 413 . 1 . 1 288 288 ASP H H 1 8.133 0.01 . 1 . . . . . 283 ASP H . 26350 1 414 . 1 . 1 288 288 ASP N N 15 121.719 0.03 . 1 . . . . . 283 ASP N . 26350 1 415 . 1 . 1 289 289 SER H H 1 7.788 0.01 . 1 . . . . . 284 SER H . 26350 1 416 . 1 . 1 289 289 SER N N 15 121.857 0.03 . 1 . . . . . 284 SER N . 26350 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 26350 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chemical_shifts_2 _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 'The minor signals of S30, C31, X32, and L35 in FOXO3a (1-284) phosphorylated on T32 and S253' _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 TROSY' 1 $sample_1 isotropic 26350 2 2 '2D 1H-15N TROSY' 2 $sample_2 isotropic 26350 2 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26350 2 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 . . 26350 2 2 $software_2 . . 26350 2 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 35 35 SER H H 1 8.296 0.01 . 1 . . . . . 30 SER H . 26350 2 2 . 1 . 1 35 35 SER N N 15 117.926 0.03 . 1 . . . . . 30 SER N . 26350 2 3 . 1 . 1 36 36 CYS H H 1 8.289 0.01 . 1 . . . . . 31 CYS H . 26350 2 4 . 1 . 1 36 36 CYS N N 15 121.404 0.03 . 1 . . . . . 31 CYS N . 26350 2 5 . 1 . 1 37 37 TPO H H 1 8.784 0.01 . 1 . . . . . 32 TPO H . 26350 2 6 . 1 . 1 37 37 TPO N N 15 119.682 0.03 . 1 . . . . . 32 TPO N . 26350 2 7 . 1 . 1 40 40 LEU H H 1 7.981 0.01 . 1 . . . . . 35 LEU H . 26350 2 8 . 1 . 1 40 40 LEU N N 15 121.873 0.03 . 1 . . . . . 35 LEU N . 26350 2 stop_ save_