################################### # 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 53883 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chemical shift list' _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' . . . 53883 1 2 '2D 1H-15N HMQC' . . . 53883 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 . . 53883 1 2 $software_2 . . 53883 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 2 2 ILE H H 1 9.244 1 . 1 . . . . . 2 ILE H . 53883 1 2 . 1 . 1 2 2 ILE N N 15 127.732 1 . 1 . . . . . 2 ILE N . 53883 1 3 . 1 . 1 3 3 VAL H H 1 8.545 1 . 1 . . . . . 3 VAL H . 53883 1 4 . 1 . 1 3 3 VAL N N 15 122.194 1 . 1 . . . . . 3 VAL N . 53883 1 5 . 1 . 1 4 4 LYS H H 1 8.484 1 . 1 . . . . . 4 LYS H . 53883 1 6 . 1 . 1 4 4 LYS N N 15 121.055 1 . 1 . . . . . 4 LYS N . 53883 1 7 . 1 . 1 5 5 VAL H H 1 9.105 1 . 1 . . . . . 5 VAL H . 53883 1 8 . 1 . 1 5 5 VAL N N 15 121.755 1 . 1 . . . . . 5 VAL N . 53883 1 9 . 1 . 1 6 6 LYS H H 1 8.88 1 . 1 . . . . . 6 LYS H . 53883 1 10 . 1 . 1 6 6 LYS N N 15 128.109 1 . 1 . . . . . 6 LYS N . 53883 1 11 . 1 . 1 7 7 THR H H 1 8.764 1 . 1 . . . . . 7 THR H . 53883 1 12 . 1 . 1 7 7 THR N N 15 117.511 1 . 1 . . . . . 7 THR N . 53883 1 13 . 1 . 1 8 8 LEU H H 1 9.105 1 . 1 . . . . . 8 LEU H . 53883 1 14 . 1 . 1 8 8 LEU N N 15 121.755 1 . 1 . . . . . 8 LEU N . 53883 1 15 . 1 . 1 9 9 THR H H 1 7.546 1 . 1 . . . . . 9 THR H . 53883 1 16 . 1 . 1 9 9 THR N N 15 105.911 1 . 1 . . . . . 9 THR N . 53883 1 17 . 1 . 1 10 10 GLY H H 1 7.803 1 . 1 . . . . . 10 GLY H . 53883 1 18 . 1 . 1 10 10 GLY N N 15 109.611 1 . 1 . . . . . 10 GLY N . 53883 1 19 . 1 . 1 11 11 LYS H H 1 7.138 1 . 1 . . . . . 11 LYS H . 53883 1 20 . 1 . 1 11 11 LYS N N 15 121.948 1 . 1 . . . . . 11 LYS N . 53883 1 21 . 1 . 1 12 12 GLU H H 1 8.522 1 . 1 . . . . . 12 GLU H . 53883 1 22 . 1 . 1 12 12 GLU N N 15 124.605 1 . 1 . . . . . 12 GLU N . 53883 1 23 . 1 . 1 13 13 ILE H H 1 9.258 1 . 1 . . . . . 13 ILE H . 53883 1 24 . 1 . 1 13 13 ILE N N 15 128.045 1 . 1 . . . . . 13 ILE N . 53883 1 25 . 1 . 1 14 14 SER H H 1 8.635 1 . 1 . . . . . 14 SER H . 53883 1 26 . 1 . 1 14 14 SER N N 15 123.014 1 . 1 . . . . . 14 SER N . 53883 1 27 . 1 . 1 15 15 VAL H H 1 8.902 1 . 1 . . . . . 15 VAL H . 53883 1 28 . 1 . 1 15 15 VAL N N 15 121.742 1 . 1 . . . . . 15 VAL N . 53883 1 29 . 1 . 1 16 16 GLU H H 1 8.205 1 . 1 . . . . . 16 GLU H . 53883 1 30 . 1 . 1 16 16 GLU N N 15 125.297 1 . 1 . . . . . 16 GLU N . 53883 1 31 . 1 . 1 17 17 LEU H H 1 8.961 1 . 1 . . . . . 17 LEU H . 53883 1 32 . 1 . 1 17 17 LEU N N 15 125.502 1 . 1 . . . . . 17 LEU N . 53883 1 33 . 1 . 1 18 18 LYS H H 1 8.824 1 . 1 . . . . . 18 LYS H . 53883 1 34 . 1 . 1 18 18 LYS N N 15 121.04 1 . 1 . . . . . 18 LYS N . 53883 1 35 . 1 . 1 19 19 GLU H H 1 9.031 1 . 1 . . . . . 19 GLU H . 53883 1 36 . 1 . 1 19 19 GLU N N 15 120.108 1 . 1 . . . . . 19 GLU N . 53883 1 37 . 1 . 1 20 20 SER H H 1 7.13 1 . 1 . . . . . 20 SER H . 53883 1 38 . 1 . 1 20 20 SER N N 15 105.802 1 . 1 . . . . . 20 SER N . 53883 1 39 . 1 . 1 21 21 ASP H H 1 7.487 1 . 1 . . . . . 21 ASP H . 53883 1 40 . 1 . 1 21 21 ASP N N 15 123.285 1 . 1 . . . . . 21 ASP N . 53883 1 41 . 1 . 1 22 22 LEU H H 1 8.394 1 . 1 . . . . . 22 LEU H . 53883 1 42 . 1 . 1 22 22 LEU N N 15 117.797 1 . 1 . . . . . 22 LEU N . 53883 1 43 . 1 . 1 23 23 VAL H H 1 9.153 1 . 1 . . . . . 23 VAL H . 53883 1 44 . 1 . 1 23 23 VAL N N 15 124.77 1 . 1 . . . . . 23 VAL N . 53883 1 45 . 1 . 1 24 24 TYR H H 1 8.069 1 . 1 . . . . . 24 TYR H . 53883 1 46 . 1 . 1 24 24 TYR N N 15 116.651 1 . 1 . . . . . 24 TYR N . 53883 1 47 . 1 . 1 25 25 HIS H H 1 8.237 1 . 1 . . . . . 25 HIS H . 53883 1 48 . 1 . 1 25 25 HIS N N 15 114.727 1 . 1 . . . . . 25 HIS N . 53883 1 49 . 1 . 1 26 26 ILE H H 1 8.219 1 . 1 . . . . . 26 ILE H . 53883 1 50 . 1 . 1 26 26 ILE N N 15 117.8 1 . 1 . . . . . 26 ILE N . 53883 1 51 . 1 . 1 27 27 LYS H H 1 6.771 1 . 1 . . . . . 27 LYS H . 53883 1 52 . 1 . 1 27 27 LYS N N 15 116.14 1 . 1 . . . . . 27 LYS N . 53883 1 53 . 1 . 1 28 28 GLU H H 1 6.938 1 . 1 . . . . . 28 GLU H . 53883 1 54 . 1 . 1 28 28 GLU N N 15 117.943 1 . 1 . . . . . 28 GLU N . 53883 1 55 . 1 . 1 29 29 LEU H H 1 7.811 1 . 1 . . . . . 29 LEU H . 53883 1 56 . 1 . 1 29 29 LEU N N 15 121.041 1 . 1 . . . . . 29 LEU N . 53883 1 57 . 1 . 1 30 30 LEU H H 1 8.345 1 . 1 . . . . . 30 LEU H . 53883 1 58 . 1 . 1 30 30 LEU N N 15 120.638 1 . 1 . . . . . 30 LEU N . 53883 1 59 . 1 . 1 31 31 GLU H H 1 8.11 1 . 1 . . . . . 31 GLU H . 53883 1 60 . 1 . 1 31 31 GLU N N 15 123.389 1 . 1 . . . . . 31 GLU N . 53883 1 61 . 1 . 1 32 32 GLU H H 1 7.418 1 . 1 . . . . . 32 GLU H . 53883 1 62 . 1 . 1 32 32 GLU N N 15 119.389 1 . 1 . . . . . 32 GLU N . 53883 1 63 . 1 . 1 33 33 LYS H H 1 7.807 1 . 1 . . . . . 33 LYS H . 53883 1 64 . 1 . 1 33 33 LYS N N 15 115.11 1 . 1 . . . . . 33 LYS N . 53883 1 65 . 1 . 1 34 34 GLU H H 1 8.329 1 . 1 . . . . . 34 GLU H . 53883 1 66 . 1 . 1 34 34 GLU N N 15 113.923 1 . 1 . . . . . 34 GLU N . 53883 1 67 . 1 . 1 35 35 GLY H H 1 7.93 1 . 1 . . . . . 35 GLY H . 53883 1 68 . 1 . 1 35 35 GLY N N 15 109.183 1 . 1 . . . . . 35 GLY N . 53883 1 69 . 1 . 1 36 36 ILE H H 1 6.253 1 . 1 . . . . . 36 ILE H . 53883 1 70 . 1 . 1 36 36 ILE N N 15 120.299 1 . 1 . . . . . 36 ILE N . 53883 1 71 . 1 . 1 39 39 SER H H 1 8.292 1 . 1 . . . . . 39 SER H . 53883 1 72 . 1 . 1 39 39 SER N N 15 110.559 1 . 1 . . . . . 39 SER N . 53883 1 73 . 1 . 1 40 40 GLN H H 1 7.707 1 . 1 . . . . . 40 GLN H . 53883 1 74 . 1 . 1 40 40 GLN N N 15 120.083 1 . 1 . . . . . 40 GLN N . 53883 1 75 . 1 . 1 41 41 GLN H H 1 7.322 1 . 1 . . . . . 41 GLN H . 53883 1 76 . 1 . 1 41 41 GLN N N 15 117.232 1 . 1 . . . . . 41 GLN N . 53883 1 77 . 1 . 1 42 42 ARG H H 1 8.556 1 . 1 . . . . . 42 ARG H . 53883 1 78 . 1 . 1 42 42 ARG N N 15 121.805 1 . 1 . . . . . 42 ARG N . 53883 1 79 . 1 . 1 43 43 LEU H H 1 8.363 1 . 1 . . . . . 43 LEU H . 53883 1 80 . 1 . 1 43 43 LEU N N 15 123.29 1 . 1 . . . . . 43 LEU N . 53883 1 81 . 1 . 1 44 44 ILE H H 1 8.939 1 . 1 . . . . . 44 ILE H . 53883 1 82 . 1 . 1 44 44 ILE N N 15 121.554 1 . 1 . . . . . 44 ILE N . 53883 1 83 . 1 . 1 45 45 PHE H H 1 8.944 1 . 1 . . . . . 45 PHE H . 53883 1 84 . 1 . 1 45 45 PHE N N 15 124.465 1 . 1 . . . . . 45 PHE N . 53883 1 85 . 1 . 1 46 46 GLN H H 1 9.165 1 . 1 . . . . . 46 GLN H . 53883 1 86 . 1 . 1 46 46 GLN N N 15 128.691 1 . 1 . . . . . 46 GLN N . 53883 1 87 . 1 . 1 47 47 GLY H H 1 8.062 1 . 1 . . . . . 47 GLY H . 53883 1 88 . 1 . 1 47 47 GLY N N 15 102.393 1 . 1 . . . . . 47 GLY N . 53883 1 89 . 1 . 1 48 48 LYS H H 1 7.645 1 . 1 . . . . . 48 LYS H . 53883 1 90 . 1 . 1 48 48 LYS N N 15 121.199 1 . 1 . . . . . 48 LYS N . 53883 1 91 . 1 . 1 49 49 GLN H H 1 8.719 1 . 1 . . . . . 49 GLN H . 53883 1 92 . 1 . 1 49 49 GLN N N 15 123.08 1 . 1 . . . . . 49 GLN N . 53883 1 93 . 1 . 1 50 50 ILE H H 1 7.975 1 . 1 . . . . . 50 ILE H . 53883 1 94 . 1 . 1 50 50 ILE N N 15 124.893 1 . 1 . . . . . 50 ILE N . 53883 1 95 . 1 . 1 51 51 ASP H H 1 8.515 1 . 1 . . . . . 51 ASP H . 53883 1 96 . 1 . 1 51 51 ASP N N 15 128.085 1 . 1 . . . . . 51 ASP N . 53883 1 97 . 1 . 1 52 52 ASP H H 1 8.01 1 . 1 . . . . . 52 ASP H . 53883 1 98 . 1 . 1 52 52 ASP N N 15 125.111 1 . 1 . . . . . 52 ASP N . 53883 1 99 . 1 . 1 53 53 LYS H H 1 8.313 1 . 1 . . . . . 53 LYS H . 53883 1 100 . 1 . 1 53 53 LYS N N 15 114.893 1 . 1 . . . . . 53 LYS N . 53883 1 101 . 1 . 1 54 54 LEU H H 1 7.159 1 . 1 . . . . . 54 LEU H . 53883 1 102 . 1 . 1 54 54 LEU N N 15 119.322 1 . 1 . . . . . 54 LEU N . 53883 1 103 . 1 . 1 55 55 THR H H 1 8.252 1 . 1 . . . . . 55 THR H . 53883 1 104 . 1 . 1 55 55 THR N N 15 108.958 1 . 1 . . . . . 55 THR N . 53883 1 105 . 1 . 1 56 56 VAL H H 1 8.691 1 . 1 . . . . . 56 VAL H . 53883 1 106 . 1 . 1 56 56 VAL N N 15 119.381 1 . 1 . . . . . 56 VAL N . 53883 1 107 . 1 . 1 57 57 THR H H 1 7.373 1 . 1 . . . . . 57 THR H . 53883 1 108 . 1 . 1 57 57 THR N N 15 111.989 1 . 1 . . . . . 57 THR N . 53883 1 109 . 1 . 1 58 58 ASP H H 1 7.785 1 . 1 . . . . . 58 ASP H . 53883 1 110 . 1 . 1 58 58 ASP N N 15 125.763 1 . 1 . . . . . 58 ASP N . 53883 1 111 . 1 . 1 59 59 ALA H H 1 8.3 1 . 1 . . . . . 59 ALA H . 53883 1 112 . 1 . 1 59 59 ALA N N 15 120.223 1 . 1 . . . . . 59 ALA N . 53883 1 113 . 1 . 1 60 60 HIS H H 1 7.643 1 . 1 . . . . . 60 HIS H . 53883 1 114 . 1 . 1 60 60 HIS N N 15 110.869 1 . 1 . . . . . 60 HIS N . 53883 1 115 . 1 . 1 61 61 LEU H H 1 7.267 1 . 1 . . . . . 61 LEU H . 53883 1 116 . 1 . 1 61 61 LEU N N 15 115.637 1 . 1 . . . . . 61 LEU N . 53883 1 117 . 1 . 1 62 62 VAL H H 1 7.126 1 . 1 . . . . . 62 VAL H . 53883 1 118 . 1 . 1 62 62 VAL N N 15 115.525 1 . 1 . . . . . 62 VAL N . 53883 1 119 . 1 . 1 63 63 GLU H H 1 8.206 1 . 1 . . . . . 63 GLU H . 53883 1 120 . 1 . 1 63 63 GLU N N 15 121.876 1 . 1 . . . . . 63 GLU N . 53883 1 121 . 1 . 1 64 64 GLY H H 1 9.305 1 . 1 . . . . . 64 GLY H . 53883 1 122 . 1 . 1 64 64 GLY N N 15 114.933 1 . 1 . . . . . 64 GLY N . 53883 1 123 . 1 . 1 65 65 MET H H 1 7.847 1 . 1 . . . . . 65 MET H . 53883 1 124 . 1 . 1 65 65 MET N N 15 120.342 1 . 1 . . . . . 65 MET N . 53883 1 125 . 1 . 1 66 66 GLN H H 1 8.374 1 . 1 . . . . . 66 GLN H . 53883 1 126 . 1 . 1 66 66 GLN N N 15 121.221 1 . 1 . . . . . 66 GLN N . 53883 1 127 . 1 . 1 67 67 LEU H H 1 9.07 1 . 1 . . . . . 67 LEU H . 53883 1 128 . 1 . 1 67 67 LEU N N 15 125.235 1 . 1 . . . . . 67 LEU N . 53883 1 129 . 1 . 1 68 68 HIS H H 1 9.169 1 . 1 . . . . . 68 HIS H . 53883 1 130 . 1 . 1 68 68 HIS N N 15 119.636 1 . 1 . . . . . 68 HIS N . 53883 1 131 . 1 . 1 69 69 LEU H H 1 7.988 1 . 1 . . . . . 69 LEU H . 53883 1 132 . 1 . 1 69 69 LEU N N 15 123.393 1 . 1 . . . . . 69 LEU N . 53883 1 133 . 1 . 1 70 70 VAL H H 1 9.078 1 . 1 . . . . . 70 VAL H . 53883 1 134 . 1 . 1 70 70 VAL N N 15 127.288 1 . 1 . . . . . 70 VAL N . 53883 1 135 . 1 . 1 71 71 LEU H H 1 8.018 1 . 1 . . . . . 71 LEU H . 53883 1 136 . 1 . 1 71 71 LEU N N 15 123.464 1 . 1 . . . . . 71 LEU N . 53883 1 137 . 1 . 1 72 72 THR H H 1 8.567 1 . 1 . . . . . 72 THR H . 53883 1 138 . 1 . 1 72 72 THR N N 15 116.577 1 . 1 . . . . . 72 THR N . 53883 1 139 . 1 . 1 73 73 LEU H H 1 8.122 1 . 1 . . . . . 73 LEU H . 53883 1 140 . 1 . 1 73 73 LEU N N 15 123.76 1 . 1 . . . . . 73 LEU N . 53883 1 141 . 1 . 1 74 74 ARG H H 1 8.308 1 . 1 . . . . . 74 ARG H . 53883 1 142 . 1 . 1 74 74 ARG N N 15 121.698 1 . 1 . . . . . 74 ARG N . 53883 1 143 . 1 . 1 75 75 GLY H H 1 8.38 1 . 1 . . . . . 75 GLY H . 53883 1 144 . 1 . 1 75 75 GLY N N 15 111.176 1 . 1 . . . . . 75 GLY N . 53883 1 145 . 1 . 1 76 76 GLY H H 1 7.854 1 . 1 . . . . . 76 GLY H . 53883 1 146 . 1 . 1 76 76 GLY N N 15 115.162 1 . 1 . . . . . 76 GLY N . 53883 1 stop_ save_