################################### # 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 27887 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 'Assignments were transferred from the dispersed phase using a HSQC-NOESY and 2D HSQC.' _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' . . . 27887 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.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 1 1 MET N N 15 120.068 . . . . . . . . 1 M N . 27887 1 2 . 1 1 2 2 ALA N N 15 125.869 . . . . . . . . 2 A N . 27887 1 3 . 1 1 3 3 SER N N 15 115.579 . . . . . . . . 3 S N . 27887 1 4 . 1 1 4 4 ASN N N 15 120.093 . . . . . . . . 4 N N . 27887 1 5 . 1 1 5 5 ASP N N 15 120.191 . . . . . . . . 5 D N . 27887 1 6 . 1 1 7 7 THR N N 15 114.982 . . . . . . . . 7 T N . 27887 1 7 . 1 1 8 8 GLN N N 15 122.072 . . . . . . . . 8 Q N . 27887 1 8 . 1 1 9 9 GLN N N 15 121.111 . . . . . . . . 9 Q N . 27887 1 9 . 1 1 10 10 ALA N N 15 124.964 . . . . . . . . 10 A N . 27887 1 10 . 1 1 11 11 THR N N 15 112.949 . . . . . . . . 11 T N . 27887 1 11 . 1 1 12 12 GLN N N 15 122.234 . . . . . . . . 12 Q N . 27887 1 12 . 1 1 13 13 SER N N 15 116.770 . . . . . . . . 13 S N . 27887 1 13 . 1 1 14 14 TYR N N 15 121.983 . . . . . . . . 14 Y N . 27887 1 14 . 1 1 15 15 GLY N N 15 110.212 . . . . . . . . 15 G N . 27887 1 15 . 1 1 16 16 ALA N N 15 123.211 . . . . . . . . 16 A N . 27887 1 16 . 1 1 17 17 TYR N N 15 119.991 . . . . . . . . 17 Y N . 27887 1 17 . 1 1 19 19 THR N N 15 114.121 . . . . . . . . 19 T N . 27887 1 18 . 1 1 20 20 GLN N N 15 123.065 . . . . . . . . 20 Q N . 27887 1 19 . 1 1 22 22 GLY N N 15 109.432 . . . . . . . . 22 G N . 27887 1 20 . 1 1 23 23 GLN N N 15 119.404 . . . . . . . . 23 Q N . 27887 1 21 . 1 1 24 24 GLY N N 15 109.687 . . . . . . . . 24 G N . 27887 1 22 . 1 1 25 25 TYR N N 15 120.023 . . . . . . . . 25 Y N . 27887 1 23 . 1 1 26 26 SER N N 15 117.616 . . . . . . . . 26 S N . 27887 1 24 . 1 1 27 27 GLN N N 15 122.277 . . . . . . . . 27 Q N . 27887 1 25 . 1 1 28 28 GLN N N 15 121.051 . . . . . . . . 28 Q N . 27887 1 26 . 1 1 29 29 SER N N 15 116.663 . . . . . . . . 29 S N . 27887 1 27 . 1 1 30 30 SER N N 15 117.463 . . . . . . . . 30 S N . 27887 1 28 . 1 1 31 31 GLN N N 15 122.299 . . . . . . . . 31 Q N . 27887 1 29 . 1 1 33 33 TYR N N 15 120.020 . . . . . . . . 33 Y N . 27887 1 30 . 1 1 34 34 GLY N N 15 110.386 . . . . . . . . 34 G N . 27887 1 31 . 1 1 35 35 GLN N N 15 119.595 . . . . . . . . 35 Q N . 27887 1 32 . 1 1 36 36 GLN N N 15 121.420 . . . . . . . . 36 Q N . 27887 1 33 . 1 1 37 37 SER N N 15 116.620 . . . . . . . . 37 S N . 27887 1 34 . 1 1 38 38 TYR N N 15 122.035 . . . . . . . . 38 Y N . 27887 1 35 . 1 1 39 39 SER N N 15 117.728 . . . . . . . . 39 S N . 27887 1 36 . 1 1 40 40 GLY N N 15 110.023 . . . . . . . . 40 G N . 27887 1 37 . 1 1 41 41 TYR N N 15 119.989 . . . . . . . . 41 Y N . 27887 1 38 . 1 1 42 42 SER N N 15 117.731 . . . . . . . . 42 S N . 27887 1 39 . 1 1 43 43 GLN N N 15 122.287 . . . . . . . . 43 Q N . 27887 1 40 . 1 1 44 44 SER N N 15 116.764 . . . . . . . . 44 S N . 27887 1 41 . 1 1 45 45 THR N N 15 115.346 . . . . . . . . 45 T N . 27887 1 42 . 1 1 46 46 ASP N N 15 122.737 . . . . . . . . 46 D N . 27887 1 43 . 1 1 47 47 THR N N 15 114.508 . . . . . . . . 47 T N . 27887 1 44 . 1 1 48 48 SER N N 15 118.225 . . . . . . . . 48 S N . 27887 1 45 . 1 1 49 49 GLY N N 15 110.205 . . . . . . . . 49 G N . 27887 1 46 . 1 1 50 50 TYR N N 15 120.146 . . . . . . . . 50 Y N . 27887 1 47 . 1 1 51 51 GLY N N 15 110.641 . . . . . . . . 51 G N . 27887 1 48 . 1 1 52 52 GLN N N 15 119.711 . . . . . . . . 52 Q N . 27887 1 49 . 1 1 53 53 SER N N 15 116.835 . . . . . . . . 53 S N . 27887 1 50 . 1 1 54 54 SER N N 15 117.512 . . . . . . . . 54 S N . 27887 1 51 . 1 1 55 55 TYR N N 15 121.840 . . . . . . . . 55 Y N . 27887 1 52 . 1 1 56 56 SER N N 15 116.897 . . . . . . . . 56 S N . 27887 1 53 . 1 1 57 57 SER N N 15 117.688 . . . . . . . . 57 S N . 27887 1 54 . 1 1 58 58 TYR N N 15 121.822 . . . . . . . . 58 Y N . 27887 1 55 . 1 1 59 59 GLY N N 15 110.362 . . . . . . . . 59 G N . 27887 1 56 . 1 1 60 60 GLN N N 15 119.630 . . . . . . . . 60 Q N . 27887 1 57 . 1 1 61 61 SER N N 15 116.788 . . . . . . . . 61 S N . 27887 1 58 . 1 1 62 62 GLN N N 15 121.443 . . . . . . . . 62 Q N . 27887 1 59 . 1 1 63 63 ASN N N 15 119.684 . . . . . . . . 63 N N . 27887 1 60 . 1 1 64 64 THR N N 15 113.675 . . . . . . . . 64 T N . 27887 1 61 . 1 1 65 65 GLY N N 15 110.423 . . . . . . . . 65 G N . 27887 1 62 . 1 1 67 67 GLY N N 15 110.654 . . . . . . . . 67 G N . 27887 1 63 . 1 1 68 68 THR N N 15 113.400 . . . . . . . . 68 T N . 27887 1 64 . 1 1 69 69 GLN N N 15 122.309 . . . . . . . . 69 Q N . 27887 1 65 . 1 1 70 70 SER N N 15 117.131 . . . . . . . . 70 S N . 27887 1 66 . 1 1 71 71 THR N N 15 117.469 . . . . . . . . 71 T N . 27887 1 67 . 1 1 73 73 GLN N N 15 120.336 . . . . . . . . 73 Q N . 27887 1 68 . 1 1 74 74 GLY N N 15 109.764 . . . . . . . . 74 G N . 27887 1 69 . 1 1 75 75 TYR N N 15 120.199 . . . . . . . . 75 Y N . 27887 1 70 . 1 1 76 76 GLY N N 15 110.758 . . . . . . . . 76 G N . 27887 1 71 . 1 1 77 77 SER N N 15 115.620 . . . . . . . . 77 S N . 27887 1 72 . 1 1 78 78 THR N N 15 114.817 . . . . . . . . 78 T N . 27887 1 73 . 1 1 79 79 GLY N N 15 110.638 . . . . . . . . 79 G N . 27887 1 74 . 1 1 80 80 GLY N N 15 108.341 . . . . . . . . 80 G N . 27887 1 75 . 1 1 81 81 TYR N N 15 120.250 . . . . . . . . 81 Y N . 27887 1 76 . 1 1 82 82 GLY N N 15 110.804 . . . . . . . . 82 G N . 27887 1 77 . 1 1 83 83 SER N N 15 115.534 . . . . . . . . 83 S N . 27887 1 78 . 1 1 84 84 SER N N 15 117.704 . . . . . . . . 84 S N . 27887 1 79 . 1 1 85 85 GLN N N 15 121.893 . . . . . . . . 85 Q N . 27887 1 80 . 1 1 86 86 SER N N 15 116.499 . . . . . . . . 86 S N . 27887 1 81 . 1 1 87 87 SER N N 15 117.659 . . . . . . . . 87 S N . 27887 1 82 . 1 1 88 88 GLN N N 15 121.849 . . . . . . . . 88 Q N . 27887 1 83 . 1 1 89 89 SER N N 15 116.415 . . . . . . . . 89 S N . 27887 1 84 . 1 1 90 90 SER N N 15 117.486 . . . . . . . . 90 S N . 27887 1 85 . 1 1 92 92 GLY N N 15 110.271 . . . . . . . . 92 G N . 27887 1 86 . 1 1 93 93 GLN N N 15 119.679 . . . . . . . . 93 Q N . 27887 1 87 . 1 1 95 95 SER N N 15 116.384 . . . . . . . . 95 S N . 27887 1 88 . 1 1 96 96 SER N N 15 117.210 . . . . . . . . 96 S N . 27887 1 89 . 1 1 97 97 TYR N N 15 122.676 . . . . . . . . 97 Y N . 27887 1 90 . 1 1 99 99 GLY N N 15 108.460 . . . . . . . . 99 G N . 27887 1 91 . 1 1 100 100 TYR N N 15 119.977 . . . . . . . . 100 Y N . 27887 1 92 . 1 1 101 101 GLY N N 15 111.084 . . . . . . . . 101 G N . 27887 1 93 . 1 1 102 102 GLN N N 15 119.546 . . . . . . . . 102 Q N . 27887 1 94 . 1 1 105 105 ALA N N 15 125.395 . . . . . . . . 105 A N . 27887 1 95 . 1 1 107 107 SER N N 15 115.636 . . . . . . . . 107 S N . 27887 1 96 . 1 1 108 108 SER N N 15 117.544 . . . . . . . . 108 S N . 27887 1 97 . 1 1 109 109 THR N N 15 114.837 . . . . . . . . 109 T N . 27887 1 98 . 1 1 110 110 SER N N 15 117.721 . . . . . . . . 110 S N . 27887 1 99 . 1 1 111 111 GLY N N 15 110.738 . . . . . . . . 111 G N . 27887 1 100 . 1 1 112 112 SER N N 15 115.478 . . . . . . . . 112 S N . 27887 1 101 . 1 1 113 113 TYR N N 15 122.238 . . . . . . . . 113 Y N . 27887 1 102 . 1 1 114 114 GLY N N 15 110.512 . . . . . . . . 114 G N . 27887 1 103 . 1 1 115 115 SER N N 15 115.634 . . . . . . . . 115 S N . 27887 1 104 . 1 1 116 116 SER N N 15 117.744 . . . . . . . . 116 S N . 27887 1 105 . 1 1 117 117 SER N N 15 117.684 . . . . . . . . 117 S N . 27887 1 106 . 1 1 118 118 GLN N N 15 121.838 . . . . . . . . 118 Q N . 27887 1 107 . 1 1 119 119 SER N N 15 116.552 . . . . . . . . 119 S N . 27887 1 108 . 1 1 120 120 SER N N 15 117.630 . . . . . . . . 120 S N . 27887 1 109 . 1 1 121 121 SER N N 15 117.480 . . . . . . . . 121 S N . 27887 1 110 . 1 1 122 122 TYR N N 15 121.905 . . . . . . . . 122 Y N . 27887 1 111 . 1 1 123 123 GLY N N 15 110.456 . . . . . . . . 123 G N . 27887 1 112 . 1 1 124 124 GLN N N 15 120.436 . . . . . . . . 124 Q N . 27887 1 113 . 1 1 126 126 GLN N N 15 120.645 . . . . . . . . 126 Q N . 27887 1 114 . 1 1 127 127 SER N N 15 116.821 . . . . . . . . 127 S N . 27887 1 115 . 1 1 128 128 GLY N N 15 110.731 . . . . . . . . 128 G N . 27887 1 116 . 1 1 129 129 SER N N 15 115.415 . . . . . . . . 129 S N . 27887 1 117 . 1 1 131 131 SER N N 15 116.940 . . . . . . . . 131 S N . 27887 1 118 . 1 1 132 132 GLN N N 15 121.920 . . . . . . . . 132 Q N . 27887 1 119 . 1 1 133 133 GLN N N 15 122.461 . . . . . . . . 133 Q N . 27887 1 120 . 1 1 135 135 SER N N 15 115.599 . . . . . . . . 135 S N . 27887 1 121 . 1 1 136 136 TYR N N 15 122.052 . . . . . . . . 136 Y N . 27887 1 122 . 1 1 137 137 GLY N N 15 110.805 . . . . . . . . 137 G N . 27887 1 123 . 1 1 138 138 GLY N N 15 108.266 . . . . . . . . 138 G N . 27887 1 124 . 1 1 139 139 GLN N N 15 119.666 . . . . . . . . 139 Q N . 27887 1 125 . 1 1 140 140 GLN N N 15 121.518 . . . . . . . . 140 Q N . 27887 1 126 . 1 1 141 141 GLN N N 15 121.473 . . . . . . . . 141 Q N . 27887 1 127 . 1 1 142 142 SER N N 15 116.688 . . . . . . . . 142 S N . 27887 1 128 . 1 1 144 144 GLY N N 15 110.263 . . . . . . . . 144 G N . 27887 1 129 . 1 1 145 145 GLN N N 15 119.750 . . . . . . . . 145 Q N . 27887 1 130 . 1 1 146 146 GLN N N 15 121.457 . . . . . . . . 146 Q N . 27887 1 131 . 1 1 147 147 GLN N N 15 121.436 . . . . . . . . 147 Q N . 27887 1 132 . 1 1 148 148 SER N N 15 116.752 . . . . . . . . 148 S N . 27887 1 133 . 1 1 149 149 TYR N N 15 122.372 . . . . . . . . 149 Y N . 27887 1 134 . 1 1 150 150 ASN N N 15 122.870 . . . . . . . . 150 N N . 27887 1 135 . 1 1 153 153 GLN N N 15 119.956 . . . . . . . . 153 Q N . 27887 1 136 . 1 1 154 154 GLY N N 15 109.875 . . . . . . . . 154 G N . 27887 1 137 . 1 1 155 155 TYR N N 15 120.027 . . . . . . . . 155 Y N . 27887 1 138 . 1 1 156 156 GLY N N 15 110.686 . . . . . . . . 156 G N . 27887 1 139 . 1 1 157 157 GLN N N 15 119.717 . . . . . . . . 157 Q N . 27887 1 140 . 1 1 158 158 GLN N N 15 121.028 . . . . . . . . 158 Q N . 27887 1 141 . 1 1 159 159 ASN N N 15 119.613 . . . . . . . . 159 N N . 27887 1 142 . 1 1 160 160 GLN N N 15 120.139 . . . . . . . . 160 Q N . 27887 1 143 . 1 1 161 161 TYR N N 15 120.345 . . . . . . . . 161 Y N . 27887 1 144 . 1 1 162 162 ASN N N 15 120.350 . . . . . . . . 162 N N . 27887 1 145 . 1 1 163 163 SER N N 15 121.306 . . . . . . . . 163 S N . 27887 1 stop_ save_