################################### # 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 25222 _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' . . . 25222 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 GLU H H 1 9.21 0.02 . 1 . . . . 2 GLU HN . 25222 1 2 . 1 1 3 3 GLU N N 15 121.80 0.20 . 1 . . . . 2 GLU N . 25222 1 3 . 1 1 4 4 LYS H H 1 8.29 0.02 . 1 . . . . 3 LYS HN . 25222 1 4 . 1 1 4 4 LYS N N 15 119.90 0.20 . 1 . . . . 3 LYS N . 25222 1 5 . 1 1 5 5 VAL H H 1 7.77 0.02 . 1 . . . . 4 VAL HN . 25222 1 6 . 1 1 5 5 VAL N N 15 117.40 0.20 . 1 . . . . 4 VAL N . 25222 1 7 . 1 1 6 6 GLN H H 1 8.16 0.02 . 1 . . . . 5 GLN HN . 25222 1 8 . 1 1 6 6 GLN N N 15 121.10 0.20 . 1 . . . . 5 GLN N . 25222 1 9 . 1 1 7 7 TYR H H 1 7.89 0.02 . 1 . . . . 6 TYR HN . 25222 1 10 . 1 1 7 7 TYR N N 15 118.60 0.20 . 1 . . . . 6 TYR N . 25222 1 11 . 1 1 8 8 LEU H H 1 8.13 0.02 . 1 . . . . 7 LEU HN . 25222 1 12 . 1 1 8 8 LEU N N 15 120.30 0.20 . 1 . . . . 7 LEU N . 25222 1 13 . 1 1 9 9 THR H H 1 7.85 0.02 . 1 . . . . 8 THR HN . 25222 1 14 . 1 1 9 9 THR N N 15 112.50 0.20 . 1 . . . . 8 THR N . 25222 1 15 . 1 1 10 10 ARG H H 1 8.45 0.02 . 1 . . . . 9 ARG HN . 25222 1 16 . 1 1 10 10 ARG N N 15 120.70 0.20 . 1 . . . . 9 ARG N . 25222 1 17 . 1 1 11 11 SER H H 1 8.05 0.02 . 1 . . . . 10 SER HN . 25222 1 18 . 1 1 11 11 SER N N 15 114.40 0.20 . 1 . . . . 10 SER N . 25222 1 19 . 1 1 12 12 ALA H H 1 8.07 0.02 . 1 . . . . 11 ALA HN . 25222 1 20 . 1 1 12 12 ALA N N 15 124.40 0.20 . 1 . . . . 11 ALA N . 25222 1 21 . 1 1 13 13 ILE H H 1 7.88 0.02 . 1 . . . . 12 ILE HN . 25222 1 22 . 1 1 13 13 ILE N N 15 116.80 0.20 . 1 . . . . 12 ILE N . 25222 1 23 . 1 1 14 14 ARG H H 1 7.93 0.02 . 1 . . . . 13 ARG HN . 25222 1 24 . 1 1 14 14 ARG N N 15 119.80 0.20 . 1 . . . . 13 ARG N . 25222 1 25 . 1 1 15 15 ALA H H 1 8.08 0.02 . 1 . . . . 15 ALA HN . 25222 1 26 . 1 1 15 15 ALA N N 15 121.60 0.20 . 1 . . . . 15 ALA N . 25222 1 27 . 1 1 16 16 SER H H 1 7.86 0.02 . 1 . . . . 16 SER HN . 25222 1 28 . 1 1 16 16 SER N N 15 112.10 0.20 . 1 . . . . 16 SER N . 25222 1 29 . 1 1 17 17 THR H H 1 7.80 0.02 . 1 . . . . 17 THR HN . 25222 1 30 . 1 1 17 17 THR N N 15 111.30 0.20 . 1 . . . . 17 THR N . 25222 1 31 . 1 1 18 18 ILE H H 1 7.70 0.02 . 1 . . . . 18 ILE HN . 25222 1 32 . 1 1 18 18 ILE N N 15 121.30 0.20 . 1 . . . . 18 ILE N . 25222 1 33 . 1 1 19 19 GLU H H 1 8.12 0.02 . 1 . . . . 19 GLU HN . 25222 1 34 . 1 1 19 19 GLU N N 15 123.00 0.20 . 1 . . . . 19 GLU N . 25222 1 35 . 1 1 20 20 MET H H 1 8.32 0.02 . 1 . . . . 20 MET HN . 25222 1 36 . 1 1 20 20 MET N N 15 122.10 0.20 . 1 . . . . 20 MET N . 25222 1 37 . 1 1 22 22 GLN H H 1 8.72 0.02 . 1 . . . . 22 GLN HN . 25222 1 38 . 1 1 22 22 GLN N N 15 121.80 0.20 . 1 . . . . 22 GLN N . 25222 1 39 . 1 1 23 23 GLN H H 1 8.71 0.02 . 1 . . . . 23 GLN HN . 25222 1 40 . 1 1 23 23 GLN N N 15 118.30 0.20 . 1 . . . . 23 GLN N . 25222 1 41 . 1 1 24 24 ALA H H 1 7.70 0.02 . 1 . . . . 24 ALA HN . 25222 1 42 . 1 1 24 24 ALA N N 15 121.80 0.20 . 1 . . . . 24 ALA N . 25222 1 43 . 1 1 25 25 ARG H H 1 8.07 0.02 . 1 . . . . 25 ARG HN . 25222 1 44 . 1 1 25 25 ARG N N 15 117.70 0.20 . 1 . . . . 25 ARG N . 25222 1 45 . 1 1 26 26 GLN H H 1 8.16 0.02 . 1 . . . . 26 GLN HN . 25222 1 46 . 1 1 26 26 GLN N N 15 118.10 0.20 . 1 . . . . 26 GLN N . 25222 1 47 . 1 1 27 27 ASN H H 1 8.04 0.02 . 1 . . . . 27 ASN HN . 25222 1 48 . 1 1 27 27 ASN N N 15 117.70 0.20 . 1 . . . . 27 ASN N . 25222 1 49 . 1 1 28 28 LEU H H 1 8.07 0.02 . 1 . . . . 28 LEU HN . 25222 1 50 . 1 1 28 28 LEU N N 15 121.10 0.20 . 1 . . . . 28 LEU N . 25222 1 51 . 1 1 29 29 GLN H H 1 8.30 0.02 . 1 . . . . 29 GLN HN . 25222 1 52 . 1 1 29 29 GLN N N 15 118.00 0.20 . 1 . . . . 29 GLN N . 25222 1 53 . 1 1 30 30 ASN H H 1 8.06 0.02 . 1 . . . . 30 ASN HN . 25222 1 54 . 1 1 30 30 ASN N N 15 116.70 0.20 . 1 . . . . 30 ASN N . 25222 1 55 . 1 1 31 31 LEU H H 1 8.00 0.02 . 1 . . . . 31 LEU HN . 25222 1 56 . 1 1 31 31 LEU N N 15 121.20 0.20 . 1 . . . . 31 LEU N . 25222 1 57 . 1 1 32 32 PHE H H 1 8.23 0.02 . 1 . . . . 32 PHE HN . 25222 1 58 . 1 1 32 32 PHE N N 15 117.30 0.20 . 1 . . . . 32 PHE N . 25222 1 59 . 1 1 33 33 ILE H H 1 8.17 0.02 . 1 . . . . 33 ILE HN . 25222 1 60 . 1 1 33 33 ILE N N 15 118.30 0.20 . 1 . . . . 33 ILE N . 25222 1 61 . 1 1 34 34 ASN H H 1 7.89 0.02 . 1 . . . . 34 ASN HN . 25222 1 62 . 1 1 34 34 ASN N N 15 117.20 0.20 . 1 . . . . 34 ASN N . 25222 1 63 . 1 1 35 35 PHE H H 1 8.42 0.02 . 1 . . . . 35 PHE HN . 25222 1 64 . 1 1 35 35 PHE N N 15 118.20 0.20 . 1 . . . . 35 PHE N . 25222 1 65 . 1 1 36 36 ALA H H 1 8.41 0.02 . 1 . . . . 36 ALA HN . 25222 1 66 . 1 1 36 36 ALA N N 15 120.70 0.20 . 1 . . . . 36 ALA N . 25222 1 67 . 1 1 37 37 LEU H H 1 8.08 0.02 . 1 . . . . 37 LEU HN . 25222 1 68 . 1 1 37 37 LEU N N 15 115.50 0.20 . 1 . . . . 37 LEU N . 25222 1 69 . 1 1 38 38 ILE H H 1 7.73 0.02 . 1 . . . . 38 ILE HN . 25222 1 70 . 1 1 38 38 ILE N N 15 117.80 0.20 . 1 . . . . 38 ILE N . 25222 1 71 . 1 1 39 39 LEU H H 1 8.06 0.02 . 1 . . . . 39 LEU HN . 25222 1 72 . 1 1 39 39 LEU N N 15 119.10 0.20 . 1 . . . . 39 LEU N . 25222 1 73 . 1 1 40 40 ILE H H 1 8.27 0.02 . 1 . . . . 40 ILE HN . 25222 1 74 . 1 1 40 40 ILE N N 15 117.30 0.20 . 1 . . . . 40 ILE N . 25222 1 75 . 1 1 41 41 PHE H H 1 8.22 0.02 . 1 . . . . 41 PHE HN . 25222 1 76 . 1 1 41 41 PHE N N 15 119.40 0.20 . 1 . . . . 41 PHE N . 25222 1 77 . 1 1 42 42 LEU H H 1 8.43 0.02 . 1 . . . . 42 LEU HN . 25222 1 78 . 1 1 42 42 LEU N N 15 117.40 0.20 . 1 . . . . 42 LEU N . 25222 1 79 . 1 1 43 43 LEU H H 1 8.26 0.02 . 1 . . . . 43 LEU HN . 25222 1 80 . 1 1 43 43 LEU N N 15 118.00 0.20 . 1 . . . . 43 LEU N . 25222 1 81 . 1 1 44 44 LEU H H 1 8.27 0.02 . 1 . . . . 44 LEU HN . 25222 1 82 . 1 1 44 44 LEU N N 15 118.60 0.20 . 1 . . . . 44 LEU N . 25222 1 83 . 1 1 45 45 ILE H H 1 8.00 0.02 . 1 . . . . 45 ILE HN . 25222 1 84 . 1 1 45 45 ILE N N 15 117.10 0.20 . 1 . . . . 45 ILE N . 25222 1 85 . 1 1 46 46 ALA H H 1 8.29 0.02 . 1 . . . . 46 ALA HN . 25222 1 86 . 1 1 46 46 ALA N N 15 121.10 0.20 . 1 . . . . 46 ALA N . 25222 1 87 . 1 1 47 47 ILE H H 1 8.22 0.02 . 1 . . . . 47 ILE HN . 25222 1 88 . 1 1 47 47 ILE N N 15 116.30 0.20 . 1 . . . . 47 ILE N . 25222 1 89 . 1 1 48 48 ILE H H 1 8.07 0.02 . 1 . . . . 48 ILE HN . 25222 1 90 . 1 1 48 48 ILE N N 15 118.60 0.20 . 1 . . . . 48 ILE N . 25222 1 91 . 1 1 49 49 VAL H H 1 8.46 0.02 . 1 . . . . 49 VAL HN . 25222 1 92 . 1 1 49 49 VAL N N 15 116.00 0.20 . 1 . . . . 49 VAL N . 25222 1 93 . 1 1 50 50 MET H H 1 8.00 0.02 . 1 . . . . 50 MET HN . 25222 1 94 . 1 1 50 50 MET N N 15 115.70 0.20 . 1 . . . . 50 MET N . 25222 1 95 . 1 1 51 51 LEU H H 1 7.94 0.02 . 1 . . . . 51 LEU HN . 25222 1 96 . 1 1 51 51 LEU N N 15 118.40 0.20 . 1 . . . . 51 LEU N . 25222 1 97 . 1 1 52 52 LEU H H 1 7.29 0.02 . 1 . . . . 52 LEU HN . 25222 1 98 . 1 1 52 52 LEU N N 15 123.80 0.20 . 1 . . . . 52 LEU N . 25222 1 stop_ save_