################################### # 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 51309 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'C80A MIF' _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' . . . 51309 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 . . 51309 1 2 $software_2 . . 51309 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 MET H H 1 8.688 . . . . . . . . 2 M H . 51309 1 2 . 1 . 1 2 2 MET N N 15 118.792 . . . . . . . . 2 M N . 51309 1 3 . 1 . 1 6 6 ASN H H 1 8.309 . . . . . . . . 6 N H . 51309 1 4 . 1 . 1 6 6 ASN N N 15 127.446 . . . . . . . . 6 N N . 51309 1 5 . 1 . 1 7 7 THR H H 1 9.069 . . . . . . . . 7 T H . 51309 1 6 . 1 . 1 7 7 THR N N 15 118.688 . . . . . . . . 7 T N . 51309 1 7 . 1 . 1 11 11 ARG H H 1 8.977 . . . . . . . . 11 R H . 51309 1 8 . 1 . 1 11 11 ARG N N 15 125.088 . . . . . . . . 11 R N . 51309 1 9 . 1 . 1 12 12 ALA H H 1 8.618 . . . . . . . . 12 A H . 51309 1 10 . 1 . 1 12 12 ALA N N 15 119.326 . . . . . . . . 12 A N . 51309 1 11 . 1 . 1 13 13 SER H H 1 7.863 . . . . . . . . 13 S H . 51309 1 12 . 1 . 1 13 13 SER N N 15 113.411 . . . . . . . . 13 S N . 51309 1 13 . 1 . 1 14 14 VAL H H 1 7.464 . . . . . . . . 14 V H . 51309 1 14 . 1 . 1 14 14 VAL N N 15 124.396 . . . . . . . . 14 V N . 51309 1 15 . 1 . 1 16 16 ASP H H 1 8.711 . . . . . . . . 16 D H . 51309 1 16 . 1 . 1 16 16 ASP N N 15 124.485 . . . . . . . . 16 D N . 51309 1 17 . 1 . 1 18 18 PHE H H 1 7.782 . . . . . . . . 18 F H . 51309 1 18 . 1 . 1 18 18 PHE N N 15 122.255 . . . . . . . . 18 F N . 51309 1 19 . 1 . 1 19 19 LEU H H 1 8.332 . . . . . . . . 19 L H . 51309 1 20 . 1 . 1 19 19 LEU N N 15 116.682 . . . . . . . . 19 L N . 51309 1 21 . 1 . 1 20 20 SER H H 1 7.846 . . . . . . . . 20 S H . 51309 1 22 . 1 . 1 20 20 SER N N 15 118.358 . . . . . . . . 20 S N . 51309 1 23 . 1 . 1 21 21 GLU H H 1 8.001 . . . . . . . . 21 E H . 51309 1 24 . 1 . 1 21 21 GLU N N 15 125.033 . . . . . . . . 21 E N . 51309 1 25 . 1 . 1 22 22 LEU H H 1 8.318 . . . . . . . . 22 L H . 51309 1 26 . 1 . 1 22 22 LEU N N 15 117.99 . . . . . . . . 22 L N . 51309 1 27 . 1 . 1 23 23 THR H H 1 7.397 . . . . . . . . 23 T H . 51309 1 28 . 1 . 1 23 23 THR N N 15 115.681 . . . . . . . . 23 T N . 51309 1 29 . 1 . 1 26 26 LEU H H 1 8.308 . . . . . . . . 26 L H . 51309 1 30 . 1 . 1 26 26 LEU N N 15 118.71 . . . . . . . . 26 L N . 51309 1 31 . 1 . 1 27 27 ALA H H 1 8.284 . . . . . . . . 27 A H . 51309 1 32 . 1 . 1 27 27 ALA N N 15 127.962 . . . . . . . . 27 A N . 51309 1 33 . 1 . 1 28 28 GLN H H 1 7.62 . . . . . . . . 28 Q H . 51309 1 34 . 1 . 1 28 28 GLN N N 15 117.644 . . . . . . . . 28 Q N . 51309 1 35 . 1 . 1 29 29 ALA H H 1 7.962 . . . . . . . . 29 A H . 51309 1 36 . 1 . 1 29 29 ALA N N 15 120.043 . . . . . . . . 29 A N . 51309 1 37 . 1 . 1 36 36 TYR H H 1 7.345 . . . . . . . . 36 Y H . 51309 1 38 . 1 . 1 36 36 TYR N N 15 114.093 . . . . . . . . 36 Y N . 51309 1 39 . 1 . 1 37 37 ILE H H 1 7.619 . . . . . . . . 37 I H . 51309 1 40 . 1 . 1 37 37 ILE N N 15 121.736 . . . . . . . . 37 I N . 51309 1 41 . 1 . 1 40 40 HIS H H 1 8.634 . . . . . . . . 40 H H . 51309 1 42 . 1 . 1 40 40 HIS N N 15 128.674 . . . . . . . . 40 H N . 51309 1 43 . 1 . 1 41 41 VAL H H 1 8.721 . . . . . . . . 41 V H . 51309 1 44 . 1 . 1 41 41 VAL N N 15 127.249 . . . . . . . . 41 V N . 51309 1 45 . 1 . 1 42 42 VAL H H 1 9.234 . . . . . . . . 42 V H . 51309 1 46 . 1 . 1 42 42 VAL N N 15 130.233 . . . . . . . . 42 V N . 51309 1 47 . 1 . 1 44 44 ASP H H 1 8.691 . . . . . . . . 44 D H . 51309 1 48 . 1 . 1 44 44 ASP N N 15 113.668 . . . . . . . . 44 D N . 51309 1 49 . 1 . 1 45 45 GLN H H 1 8.515 . . . . . . . . 45 Q H . 51309 1 50 . 1 . 1 45 45 GLN N N 15 115.519 . . . . . . . . 45 Q N . 51309 1 51 . 1 . 1 47 47 MET H H 1 7.59 . . . . . . . . 47 M H . 51309 1 52 . 1 . 1 47 47 MET N N 15 122.152 . . . . . . . . 47 M N . 51309 1 53 . 1 . 1 48 48 ALA H H 1 8.86 . . . . . . . . 48 A H . 51309 1 54 . 1 . 1 48 48 ALA N N 15 122.451 . . . . . . . . 48 A N . 51309 1 55 . 1 . 1 49 49 PHE H H 1 8.253 . . . . . . . . 49 F H . 51309 1 56 . 1 . 1 49 49 PHE N N 15 122.048 . . . . . . . . 49 F N . 51309 1 57 . 1 . 1 51 51 GLY H H 1 9.424 . . . . . . . . 51 G H . 51309 1 58 . 1 . 1 51 51 GLY N N 15 107.232 . . . . . . . . 51 G N . 51309 1 59 . 1 . 1 52 52 SER H H 1 7.517 . . . . . . . . 52 S H . 51309 1 60 . 1 . 1 52 52 SER N N 15 116.001 . . . . . . . . 52 S N . 51309 1 61 . 1 . 1 54 54 GLU H H 1 7.627 . . . . . . . . 54 E H . 51309 1 62 . 1 . 1 54 54 GLU N N 15 120.879 . . . . . . . . 54 E N . 51309 1 63 . 1 . 1 57 57 ALA H H 1 8.737 . . . . . . . . 57 A H . 51309 1 64 . 1 . 1 57 57 ALA N N 15 121.925 . . . . . . . . 57 A N . 51309 1 65 . 1 . 1 59 59 CYS H H 1 9.124 . . . . . . . . 59 C H . 51309 1 66 . 1 . 1 59 59 CYS N N 15 121.815 . . . . . . . . 59 C N . 51309 1 67 . 1 . 1 65 65 GLY H H 1 7.917 . . . . . . . . 65 G H . 51309 1 68 . 1 . 1 65 65 GLY N N 15 119.117 . . . . . . . . 65 G N . 51309 1 69 . 1 . 1 68 68 GLY H H 1 7.714 . . . . . . . . 68 G H . 51309 1 70 . 1 . 1 68 68 GLY N N 15 116.435 . . . . . . . . 68 G N . 51309 1 71 . 1 . 1 73 73 ARG H H 1 7.468 . . . . . . . . 73 R H . 51309 1 72 . 1 . 1 73 73 ARG N N 15 121.536 . . . . . . . . 73 R N . 51309 1 73 . 1 . 1 76 76 SER H H 1 8.136 . . . . . . . . 76 S H . 51309 1 74 . 1 . 1 76 76 SER N N 15 116.804 . . . . . . . . 76 S N . 51309 1 75 . 1 . 1 78 78 LEU H H 1 7.566 . . . . . . . . 78 L H . 51309 1 76 . 1 . 1 78 78 LEU N N 15 120.532 . . . . . . . . 78 L N . 51309 1 77 . 1 . 1 79 79 LEU H H 1 8.992 . . . . . . . . 79 L H . 51309 1 78 . 1 . 1 79 79 LEU N N 15 118.906 . . . . . . . . 79 L N . 51309 1 79 . 1 . 1 83 83 LEU H H 1 8.233 . . . . . . . . 83 L H . 51309 1 80 . 1 . 1 83 83 LEU N N 15 118.844 . . . . . . . . 83 L N . 51309 1 81 . 1 . 1 84 84 ALA H H 1 8.14 . . . . . . . . 84 A H . 51309 1 82 . 1 . 1 84 84 ALA N N 15 123.892 . . . . . . . . 84 A N . 51309 1 83 . 1 . 1 87 87 LEU H H 1 7.077 . . . . . . . . 87 L H . 51309 1 84 . 1 . 1 87 87 LEU N N 15 115.455 . . . . . . . . 87 L N . 51309 1 85 . 1 . 1 90 90 SER H H 1 8.807 . . . . . . . . 90 S H . 51309 1 86 . 1 . 1 90 90 SER N N 15 124.985 . . . . . . . . 90 S N . 51309 1 87 . 1 . 1 93 93 ARG H H 1 8.041 . . . . . . . . 93 R H . 51309 1 88 . 1 . 1 93 93 ARG N N 15 124.389 . . . . . . . . 93 R N . 51309 1 89 . 1 . 1 95 95 TYR H H 1 7.75 . . . . . . . . 95 Y H . 51309 1 90 . 1 . 1 95 95 TYR N N 15 120.28 . . . . . . . . 95 Y N . 51309 1 91 . 1 . 1 97 97 ASN H H 1 8.186 . . . . . . . . 97 N H . 51309 1 92 . 1 . 1 97 97 ASN N N 15 127.124 . . . . . . . . 97 N N . 51309 1 93 . 1 . 1 98 98 TYR H H 1 8.381 . . . . . . . . 98 Y H . 51309 1 94 . 1 . 1 98 98 TYR N N 15 122.244 . . . . . . . . 98 Y N . 51309 1 95 . 1 . 1 99 99 TYR H H 1 8.609 . . . . . . . . 99 Y H . 51309 1 96 . 1 . 1 99 99 TYR N N 15 121.628 . . . . . . . . 99 Y N . 51309 1 97 . 1 . 1 100 100 ASP H H 1 8.478 . . . . . . . . 100 D H . 51309 1 98 . 1 . 1 100 100 ASP N N 15 125.519 . . . . . . . . 100 D N . 51309 1 99 . 1 . 1 101 101 MET H H 1 8.903 . . . . . . . . 101 M H . 51309 1 100 . 1 . 1 101 101 MET N N 15 127.687 . . . . . . . . 101 M N . 51309 1 101 . 1 . 1 102 102 ASN H H 1 8.726 . . . . . . . . 102 N H . 51309 1 102 . 1 . 1 102 102 ASN N N 15 122.61 . . . . . . . . 102 N N . 51309 1 103 . 1 . 1 104 104 ALA H H 1 8.324 . . . . . . . . 104 A H . 51309 1 104 . 1 . 1 104 104 ALA N N 15 115.519 . . . . . . . . 104 A N . 51309 1 105 . 1 . 1 105 105 ASN H H 1 8.13 . . . . . . . . 105 N H . 51309 1 106 . 1 . 1 105 105 ASN N N 15 115.059 . . . . . . . . 105 N N . 51309 1 107 . 1 . 1 106 106 VAL H H 1 7.367 . . . . . . . . 106 V H . 51309 1 108 . 1 . 1 106 106 VAL N N 15 120.49 . . . . . . . . 106 V N . 51309 1 109 . 1 . 1 108 108 TRP H H 1 8.478 . . . . . . . . 108 W H . 51309 1 110 . 1 . 1 108 108 TRP N N 15 122.749 . . . . . . . . 108 W N . 51309 1 111 . 1 . 1 111 111 SER H H 1 7.714 . . . . . . . . 111 S H . 51309 1 112 . 1 . 1 111 111 SER N N 15 114.078 . . . . . . . . 111 S N . 51309 1 113 . 1 . 1 113 113 PHE H H 1 8.019 . . . . . . . . 113 F H . 51309 1 114 . 1 . 1 113 113 PHE N N 15 119.445 . . . . . . . . 113 F N . 51309 1 stop_ save_