################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11521 _Assigned_chem_shift_list.ID 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 $chemical_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' . . . 11521 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 SER H H 1 9.596 0.030 . 1 . . . . 3 SER H . 11521 1 2 . 1 1 3 3 SER N N 15 121.142 0.300 . 1 . . . . 3 SER N . 11521 1 3 . 1 1 4 4 ASP H H 1 9.136 0.030 . 1 . . . . 4 ASP H . 11521 1 4 . 1 1 4 4 ASP N N 15 122.344 0.300 . 1 . . . . 4 ASP N . 11521 1 5 . 1 1 5 5 GLU H H 1 8.793 0.030 . 1 . . . . 5 GLU H . 11521 1 6 . 1 1 5 5 GLU N N 15 119.777 0.300 . 1 . . . . 5 GLU N . 11521 1 7 . 1 1 6 6 ASP H H 1 7.998 0.030 . 1 . . . . 6 ASP H . 11521 1 8 . 1 1 6 6 ASP N N 15 122.618 0.300 . 1 . . . . 6 ASP N . 11521 1 9 . 1 1 7 7 PHE H H 1 9.026 0.030 . 1 . . . . 7 PHE H . 11521 1 10 . 1 1 7 7 PHE N N 15 121.683 0.300 . 1 . . . . 7 PHE N . 11521 1 11 . 1 1 8 8 LYS H H 1 7.882 0.030 . 1 . . . . 8 LYS H . 11521 1 12 . 1 1 8 8 LYS N N 15 118.675 0.300 . 1 . . . . 8 LYS N . 11521 1 13 . 1 1 9 9 ALA H H 1 7.688 0.030 . 1 . . . . 9 ALA H . 11521 1 14 . 1 1 9 9 ALA N N 15 122.113 0.300 . 1 . . . . 9 ALA N . 11521 1 15 . 1 1 10 10 VAL H H 1 7.868 0.030 . 1 . . . . 10 VAL H . 11521 1 16 . 1 1 10 10 VAL N N 15 117.178 0.300 . 1 . . . . 10 VAL N . 11521 1 17 . 1 1 11 11 PHE H H 1 8.476 0.030 . 1 . . . . 11 PHE H . 11521 1 18 . 1 1 11 11 PHE N N 15 113.600 0.300 . 1 . . . . 11 PHE N . 11521 1 19 . 1 1 12 12 GLY H H 1 8.179 0.030 . 1 . . . . 12 GLY H . 11521 1 20 . 1 1 12 12 GLY N N 15 108.503 0.300 . 1 . . . . 12 GLY N . 11521 1 21 . 1 1 13 13 MET H H 1 7.594 0.030 . 1 . . . . 13 MET H . 11521 1 22 . 1 1 13 13 MET N N 15 113.909 0.300 . 1 . . . . 13 MET N . 11521 1 23 . 1 1 14 14 THR H H 1 8.192 0.030 . 1 . . . . 14 THR H . 11521 1 24 . 1 1 14 14 THR N N 15 107.444 0.300 . 1 . . . . 14 THR N . 11521 1 25 . 1 1 15 15 ARG H H 1 8.778 0.030 . 1 . . . . 15 ARG H . 11521 1 26 . 1 1 15 15 ARG N N 15 120.877 0.300 . 1 . . . . 15 ARG N . 11521 1 27 . 1 1 16 16 SER H H 1 8.200 0.030 . 1 . . . . 16 SER H . 11521 1 28 . 1 1 16 16 SER N N 15 113.772 0.300 . 1 . . . . 16 SER N . 11521 1 29 . 1 1 17 17 ALA H H 1 7.626 0.030 . 1 . . . . 17 ALA H . 11521 1 30 . 1 1 17 17 ALA N N 15 125.182 0.300 . 1 . . . . 17 ALA N . 11521 1 31 . 1 1 18 18 PHE H H 1 8.439 0.030 . 1 . . . . 18 PHE H . 11521 1 32 . 1 1 18 18 PHE N N 15 121.541 0.300 . 1 . . . . 18 PHE N . 11521 1 33 . 1 1 19 19 ALA H H 1 7.835 0.030 . 1 . . . . 19 ALA H . 11521 1 34 . 1 1 19 19 ALA N N 15 117.649 0.300 . 1 . . . . 19 ALA N . 11521 1 35 . 1 1 20 20 ASN H H 1 7.207 0.030 . 1 . . . . 20 ASN H . 11521 1 36 . 1 1 20 20 ASN N N 15 113.556 0.300 . 1 . . . . 20 ASN N . 11521 1 37 . 1 1 21 21 LEU H H 1 7.403 0.030 . 1 . . . . 21 LEU H . 11521 1 38 . 1 1 21 21 LEU N N 15 121.846 0.300 . 1 . . . . 21 LEU N . 11521 1 39 . 1 1 23 23 LEU H H 1 8.930 0.030 . 1 . . . . 23 LEU H . 11521 1 40 . 1 1 23 23 LEU N N 15 124.946 0.300 . 1 . . . . 23 LEU N . 11521 1 41 . 1 1 24 24 TRP H H 1 8.045 0.030 . 1 . . . . 24 TRP H . 11521 1 42 . 1 1 24 24 TRP N N 15 115.085 0.300 . 1 . . . . 24 TRP N . 11521 1 43 . 1 1 25 25 LYS H H 1 6.058 0.030 . 1 . . . . 25 LYS H . 11521 1 44 . 1 1 25 25 LYS N N 15 123.777 0.300 . 1 . . . . 25 LYS N . 11521 1 45 . 1 1 26 26 GLN H H 1 7.627 0.030 . 1 . . . . 26 GLN H . 11521 1 46 . 1 1 26 26 GLN N N 15 118.935 0.300 . 1 . . . . 26 GLN N . 11521 1 47 . 1 1 27 27 GLN H H 1 8.218 0.030 . 1 . . . . 27 GLN H . 11521 1 48 . 1 1 27 27 GLN N N 15 115.508 0.300 . 1 . . . . 27 GLN N . 11521 1 49 . 1 1 28 28 ASN H H 1 7.946 0.030 . 1 . . . . 28 ASN H . 11521 1 50 . 1 1 28 28 ASN N N 15 119.272 0.300 . 1 . . . . 28 ASN N . 11521 1 51 . 1 1 29 29 LEU H H 1 8.430 0.030 . 1 . . . . 29 LEU H . 11521 1 52 . 1 1 29 29 LEU N N 15 121.305 0.300 . 1 . . . . 29 LEU N . 11521 1 53 . 1 1 30 30 LYS H H 1 8.250 0.030 . 1 . . . . 30 LYS H . 11521 1 54 . 1 1 30 30 LYS N N 15 118.123 0.300 . 1 . . . . 30 LYS N . 11521 1 55 . 1 1 31 31 LYS H H 1 8.047 0.030 . 1 . . . . 31 LYS H . 11521 1 56 . 1 1 31 31 LYS N N 15 119.111 0.300 . 1 . . . . 31 LYS N . 11521 1 57 . 1 1 32 32 GLU H H 1 8.294 0.030 . 1 . . . . 32 GLU H . 11521 1 58 . 1 1 32 32 GLU N N 15 119.949 0.300 . 1 . . . . 32 GLU N . 11521 1 59 . 1 1 33 33 LYS H H 1 7.828 0.030 . 1 . . . . 33 LYS H . 11521 1 60 . 1 1 33 33 LYS N N 15 114.826 0.300 . 1 . . . . 33 LYS N . 11521 1 61 . 1 1 34 34 GLY H H 1 7.856 0.030 . 1 . . . . 34 GLY H . 11521 1 62 . 1 1 34 34 GLY N N 15 107.106 0.300 . 1 . . . . 34 GLY N . 11521 1 63 . 1 1 35 35 LEU H H 1 7.819 0.030 . 1 . . . . 35 LEU H . 11521 1 64 . 1 1 35 35 LEU N N 15 120.482 0.300 . 1 . . . . 35 LEU N . 11521 1 65 . 1 1 36 36 PHE H H 1 7.579 0.030 . 1 . . . . 36 PHE H . 11521 1 66 . 1 1 36 36 PHE N N 15 123.837 0.300 . 1 . . . . 36 PHE N . 11521 1 stop_ save_