################################### # 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 52629 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ARF_solution_assignment_final.txt _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' . . . 52629 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 . . 52629 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 . 1 129 129 HIS H H 1 8.155 . . 1 . . . . . 107 HIS H . 52629 1 2 . 1 . 1 129 129 HIS CA C 13 53.42 . . 1 . . . . . 107 HIS CA . 52629 1 3 . 1 . 1 129 129 HIS CB C 13 28.38 . . 1 . . . . . 107 HIS CB . 52629 1 4 . 1 . 1 129 129 HIS N N 15 119.6 . . 1 . . . . . 107 HIS N . 52629 1 5 . 1 . 1 130 130 ALA C C 13 175.4 . . 1 . . . . . 108 ALA C . 52629 1 6 . 1 . 1 130 130 ALA CA C 13 50.08 . . 1 . . . . . 108 ALA CA . 52629 1 7 . 1 . 1 130 130 ALA CB C 13 16.41 . . 1 . . . . . 108 ALA CB . 52629 1 8 . 1 . 1 131 131 GLY H H 1 8.399 . . 1 . . . . . 109 GLY H . 52629 1 9 . 1 . 1 131 131 GLY CA C 13 42.91 . . 1 . . . . . 109 GLY CA . 52629 1 10 . 1 . 1 131 131 GLY N N 15 108.3 . . 1 . . . . . 109 GLY N . 52629 1 11 . 1 . 1 132 132 GLY C C 13 170.9 . . 1 . . . . . 110 GLY C . 52629 1 12 . 1 . 1 132 132 GLY CA C 13 42.6 . . 1 . . . . . 110 GLY CA . 52629 1 13 . 1 . 1 133 133 ALA H H 1 8.124 . . 1 . . . . . 111 ALA H . 52629 1 14 . 1 . 1 133 133 ALA C C 13 174.3 . . 1 . . . . . 111 ALA C . 52629 1 15 . 1 . 1 133 133 ALA CA C 13 49.39 . . 1 . . . . . 111 ALA CA . 52629 1 16 . 1 . 1 133 133 ALA CB C 13 16.74 . . 1 . . . . . 111 ALA CB . 52629 1 17 . 1 . 1 133 133 ALA N N 15 123.5 . . 1 . . . . . 111 ALA N . 52629 1 18 . 1 . 1 134 134 ALA H H 1 8.24 . . 1 . . . . . 112 ALA H . 52629 1 19 . 1 . 1 134 134 ALA C C 13 172.8 . . 1 . . . . . 112 ALA C . 52629 1 20 . 1 . 1 134 134 ALA CA C 13 47.81 . . 1 . . . . . 112 ALA CA . 52629 1 21 . 1 . 1 134 134 ALA CB C 13 15.57 . . 1 . . . . . 112 ALA CB . 52629 1 22 . 1 . 1 134 134 ALA N N 15 124.5 . . 1 . . . . . 112 ALA N . 52629 1 23 . 1 . 1 135 135 PRO C C 13 174.9 . . 1 . . . . . 113 PRO C . 52629 1 24 . 1 . 1 135 135 PRO N N 15 135.4 . . 1 . . . . . 113 PRO N . 52629 1 25 . 1 . 1 136 136 GLY H H 1 8.42 . . 1 . . . . . 114 GLY H . 52629 1 26 . 1 . 1 136 136 GLY C C 13 171.6 . . 1 . . . . . 114 GLY C . 52629 1 27 . 1 . 1 136 136 GLY CA C 13 42.78 . . 1 . . . . . 114 GLY CA . 52629 1 28 . 1 . 1 136 136 GLY N N 15 109.0 . . 1 . . . . . 114 GLY N . 52629 1 29 . 1 . 1 137 137 ARG H H 1 8.241 . . 1 . . . . . 115 ARG H . 52629 1 30 . 1 . 1 137 137 ARG C C 13 174.3 . . 1 . . . . . 115 ARG C . 52629 1 31 . 1 . 1 137 137 ARG CA C 13 53.68 . . 1 . . . . . 115 ARG CA . 52629 1 32 . 1 . 1 137 137 ARG CB C 13 28.14 . . 1 . . . . . 115 ARG CB . 52629 1 33 . 1 . 1 137 137 ARG N N 15 120.3 . . 1 . . . . . 115 ARG N . 52629 1 34 . 1 . 1 138 138 GLY H H 1 8.505 . . 1 . . . . . 116 GLY H . 52629 1 35 . 1 . 1 138 138 GLY C C 13 171.4 . . 1 . . . . . 116 GLY C . 52629 1 36 . 1 . 1 138 138 GLY CA C 13 42.73 . . 1 . . . . . 116 GLY CA . 52629 1 37 . 1 . 1 138 138 GLY N N 15 109.9 . . 1 . . . . . 116 GLY N . 52629 1 38 . 1 . 1 139 139 ALA H H 1 8.184 . . 1 . . . . . 117 ALA H . 52629 1 39 . 1 . 1 139 139 ALA C C 13 175.2 . . 1 . . . . . 117 ALA C . 52629 1 40 . 1 . 1 139 139 ALA CA C 13 50.24 . . 1 . . . . . 117 ALA CA . 52629 1 41 . 1 . 1 139 139 ALA CB C 13 16.71 . . 1 . . . . . 117 ALA CB . 52629 1 42 . 1 . 1 139 139 ALA N N 15 123.9 . . 1 . . . . . 117 ALA N . 52629 1 43 . 1 . 1 140 140 ALA H H 1 8.289 . . 1 . . . . . 118 ALA H . 52629 1 44 . 1 . 1 140 140 ALA C C 13 175.7 . . 1 . . . . . 118 ALA C . 52629 1 45 . 1 . 1 140 140 ALA CA C 13 50.35 . . 1 . . . . . 118 ALA CA . 52629 1 46 . 1 . 1 140 140 ALA CB C 13 16.43 . . 1 . . . . . 118 ALA CB . 52629 1 47 . 1 . 1 140 140 ALA N N 15 122.6 . . 1 . . . . . 118 ALA N . 52629 1 48 . 1 . 1 141 141 GLY H H 1 8.234 . . 1 . . . . . 119 GLY H . 52629 1 49 . 1 . 1 141 141 GLY C C 13 171.5 . . 1 . . . . . 119 GLY C . 52629 1 50 . 1 . 1 141 141 GLY CA C 13 42.86 . . 1 . . . . . 119 GLY CA . 52629 1 51 . 1 . 1 141 141 GLY N N 15 107.5 . . 1 . . . . . 119 GLY N . 52629 1 52 . 1 . 1 142 142 ARG H H 1 8.053 . . 1 . . . . . 120 ARG H . 52629 1 53 . 1 . 1 142 142 ARG C C 13 172.2 . . 1 . . . . . 120 ARG C . 52629 1 54 . 1 . 1 142 142 ARG CA C 13 53.16 . . 1 . . . . . 120 ARG CA . 52629 1 55 . 1 . 1 142 142 ARG CB C 13 27.38 . . 1 . . . . . 120 ARG CB . 52629 1 56 . 1 . 1 142 142 ARG N N 15 120.3 . . 1 . . . . . 120 ARG N . 52629 1 57 . 1 . 1 143 143 ALA H H 1 8.371 . . 1 . . . . . 121 ALA H . 52629 1 58 . 1 . 1 143 143 ALA CA C 13 50.16 . . 1 . . . . . 121 ALA CA . 52629 1 59 . 1 . 1 143 143 ALA CB C 13 16.48 . . 1 . . . . . 121 ALA CB . 52629 1 60 . 1 . 1 143 143 ALA N N 15 125.4 . . 1 . . . . . 121 ALA N . 52629 1 61 . 1 . 1 147 147 GLY H H 1 8.154 . . 1 . . . . . 125 GLY H . 52629 1 62 . 1 . 1 147 147 GLY N N 15 109.4 . . 1 . . . . . 125 GLY N . 52629 1 63 . 1 . 1 149 149 SER H H 1 8.359 . . 1 . . . . . 127 SER H . 52629 1 64 . 1 . 1 149 149 SER C C 13 171.7 . . 1 . . . . . 127 SER C . 52629 1 65 . 1 . 1 149 149 SER CA C 13 56.14 . . 1 . . . . . 127 SER CA . 52629 1 66 . 1 . 1 149 149 SER CB C 13 61.12 . . 1 . . . . . 127 SER CB . 52629 1 67 . 1 . 1 149 149 SER N N 15 115.5 . . 1 . . . . . 127 SER N . 52629 1 68 . 1 . 1 150 150 ALA H H 1 8.203 . . 1 . . . . . 128 ALA H . 52629 1 69 . 1 . 1 150 150 ALA C C 13 174.8 . . 1 . . . . . 128 ALA C . 52629 1 70 . 1 . 1 150 150 ALA CA C 13 50.11 . . 1 . . . . . 128 ALA CA . 52629 1 71 . 1 . 1 150 150 ALA CB C 13 16.66 . . 1 . . . . . 128 ALA CB . 52629 1 72 . 1 . 1 150 150 ALA N N 15 125.6 . . 1 . . . . . 128 ALA N . 52629 1 73 . 1 . 1 151 151 ARG H H 1 8.246 . . 1 . . . . . 129 ARG H . 52629 1 74 . 1 . 1 151 151 ARG CA C 13 53.48 . . 1 . . . . . 129 ARG CA . 52629 1 75 . 1 . 1 151 151 ARG CB C 13 28.38 . . 1 . . . . . 129 ARG CB . 52629 1 76 . 1 . 1 151 151 ARG N N 15 119.7 . . 1 . . . . . 129 ARG N . 52629 1 77 . 1 . 1 152 152 GLY H H 1 8.15 . . 1 . . . . . 130 GLY H . 52629 1 78 . 1 . 1 152 152 GLY CA C 13 41.87 . . 1 . . . . . 130 GLY CA . 52629 1 79 . 1 . 1 152 152 GLY N N 15 109.8 . . 1 . . . . . 130 GLY N . 52629 1 stop_ save_