################################### # 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_moPrP23-144_amyloid _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode moPrP23-144_amyloid _Assigned_chem_shift_list.Entry_ID 26924 _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 NCA' . . . 26924 1 2 '3D NCACX' . . . 26924 1 3 '3D NCACX' . . . 26924 1 4 '3D NCOCX' . . . 26924 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 93 93 VAL C C 13 174.39 0.046 . 1 . . . . 112 V C . 26924 1 2 . 1 1 93 93 VAL CA C 13 60.63 0.117 . 1 . . . . 112 V CA . 26924 1 3 . 1 1 93 93 VAL N N 15 129.805 0.147 . 1 . . . . 112 V N . 26924 1 4 . 1 1 94 94 ALA C C 13 176.194 0.097 . 1 . . . . 113 A C . 26924 1 5 . 1 1 94 94 ALA CA C 13 52.026 0.096 . 1 . . . . 113 A CA . 26924 1 6 . 1 1 94 94 ALA CB C 13 19.899 0.105 . 1 . . . . 113 A CB . 26924 1 7 . 1 1 94 94 ALA N N 15 127.472 0.093 . 1 . . . . 113 A N . 26924 1 8 . 1 1 95 95 GLY C C 13 172.239 0.038 . 1 . . . . 114 G C . 26924 1 9 . 1 1 95 95 GLY CA C 13 43.959 0.097 . 1 . . . . 114 G CA . 26924 1 10 . 1 1 95 95 GLY N N 15 112.668 0.325 . 1 . . . . 114 G N . 26924 1 11 . 1 1 96 96 ALA C C 13 173.865 0.089 . 1 . . . . 115 A C . 26924 1 12 . 1 1 96 96 ALA CA C 13 50.208 0.084 . 1 . . . . 115 A CA . 26924 1 13 . 1 1 96 96 ALA CB C 13 22.277 0.063 . 1 . . . . 115 A CB . 26924 1 14 . 1 1 96 96 ALA N N 15 129.099 0.053 . 1 . . . . 115 A N . 26924 1 15 . 1 1 97 97 ALA C C 13 174.424 0.051 . 1 . . . . 116 A C . 26924 1 16 . 1 1 97 97 ALA CA C 13 50.463 0.072 . 1 . . . . 116 A CA . 26924 1 17 . 1 1 97 97 ALA CB C 13 21.246 0.058 . 1 . . . . 116 A CB . 26924 1 18 . 1 1 97 97 ALA N N 15 131.406 0.075 . 1 . . . . 116 A N . 26924 1 19 . 1 1 98 98 ALA C C 13 173.508 0.067 . 1 . . . . 117 A C . 26924 1 20 . 1 1 98 98 ALA CA C 13 51.008 0.065 . 1 . . . . 117 A CA . 26924 1 21 . 1 1 98 98 ALA CB C 13 20.472 0.038 . 1 . . . . 117 A CB . 26924 1 22 . 1 1 98 98 ALA N N 15 124.94 0.058 . 1 . . . . 117 A N . 26924 1 23 . 1 1 99 99 ALA C C 13 178.475 0.053 . 1 . . . . 118 A C . 26924 1 24 . 1 1 99 99 ALA CA C 13 53.839 0.09 . 1 . . . . 118 A CA . 26924 1 25 . 1 1 99 99 ALA CB C 13 20.145 0.045 . 1 . . . . 118 A CB . 26924 1 26 . 1 1 99 99 ALA N N 15 118.183 0.058 . 1 . . . . 118 A N . 26924 1 27 . 1 1 100 100 GLY C C 13 173.71 0.058 . 1 . . . . 119 G C . 26924 1 28 . 1 1 100 100 GLY CA C 13 46.869 0.044 . 1 . . . . 119 G CA . 26924 1 29 . 1 1 100 100 GLY N N 15 105.321 0.107 . 1 . . . . 119 G N . 26924 1 30 . 1 1 101 101 ALA C C 13 176.04 0.049 . 1 . . . . 120 A C . 26924 1 31 . 1 1 101 101 ALA CA C 13 52.655 0.074 . 1 . . . . 120 A CA . 26924 1 32 . 1 1 101 101 ALA CB C 13 19.735 0.043 . 1 . . . . 120 A CB . 26924 1 33 . 1 1 101 101 ALA N N 15 124.31 0.106 . 1 . . . . 120 A N . 26924 1 34 . 1 1 102 102 VAL C C 13 175.226 0.107 . 1 . . . . 121 V C . 26924 1 35 . 1 1 102 102 VAL CA C 13 61.532 0.094 . 1 . . . . 121 V CA . 26924 1 36 . 1 1 102 102 VAL CB C 13 34.332 0.086 . 1 . . . . 121 V CB . 26924 1 37 . 1 1 102 102 VAL CG1 C 13 23.188 0 . 2 . . . . 121 V CG1 . 26924 1 38 . 1 1 102 102 VAL CG2 C 13 22.76 0 . 2 . . . . 121 V CG2 . 26924 1 39 . 1 1 102 102 VAL N N 15 121.881 0.085 . 1 . . . . 121 V N . 26924 1 40 . 1 1 103 103 VAL C C 13 176.356 0.067 . 1 . . . . 122 V C . 26924 1 41 . 1 1 103 103 VAL CA C 13 60.116 0.073 . 1 . . . . 122 V CA . 26924 1 42 . 1 1 103 103 VAL CB C 13 36.796 0.079 . 1 . . . . 122 V CB . 26924 1 43 . 1 1 103 103 VAL CG1 C 13 21.952 0 . 2 . . . . 122 V CG1 . 26924 1 44 . 1 1 103 103 VAL CG2 C 13 21.311 0 . 2 . . . . 122 V CG2 . 26924 1 45 . 1 1 103 103 VAL N N 15 123.395 0.199 . 1 . . . . 122 V N . 26924 1 46 . 1 1 104 104 GLY C C 13 173.831 0.163 . 1 . . . . 123 G C . 26924 1 47 . 1 1 104 104 GLY CA C 13 46.343 0.128 . 1 . . . . 123 G CA . 26924 1 48 . 1 1 104 104 GLY N N 15 110.625 0.15 . 1 . . . . 123 G N . 26924 1 49 . 1 1 105 105 GLY C C 13 171.183 0.201 . 1 . . . . 124 G C . 26924 1 50 . 1 1 105 105 GLY CA C 13 43.854 0.129 . 1 . . . . 124 G CA . 26924 1 51 . 1 1 105 105 GLY N N 15 109.902 0.27 . 1 . . . . 124 G N . 26924 1 52 . 1 1 106 106 LEU C C 13 175.351 0.264 . 1 . . . . 125 L C . 26924 1 53 . 1 1 106 106 LEU CA C 13 53.045 0.221 . 1 . . . . 125 L CA . 26924 1 54 . 1 1 106 106 LEU CB C 13 43.924 0 . 1 . . . . 125 L CB . 26924 1 55 . 1 1 106 106 LEU N N 15 121.946 0.356 . 1 . . . . 125 L N . 26924 1 56 . 1 1 107 107 GLY C C 13 173.396 0.068 . 1 . . . . 126 G C . 26924 1 57 . 1 1 107 107 GLY CA C 13 43.971 0.056 . 1 . . . . 126 G CA . 26924 1 58 . 1 1 107 107 GLY N N 15 114.391 0.337 . 1 . . . . 126 G N . 26924 1 59 . 1 1 108 108 GLY C C 13 172.727 0.175 . 1 . . . . 127 G C . 26924 1 60 . 1 1 108 108 GLY CA C 13 47.743 0.114 . 1 . . . . 127 G CA . 26924 1 61 . 1 1 108 108 GLY N N 15 112.487 0.231 . 1 . . . . 127 G N . 26924 1 62 . 1 1 109 109 TYR CA C 13 57.361 0.085 . 1 . . . . 128 Y CA . 26924 1 63 . 1 1 109 109 TYR N N 15 123.644 0.339 . 1 . . . . 128 Y N . 26924 1 64 . 1 1 110 110 MET C C 13 173.992 0 . 1 . . . . 129 M C . 26924 1 65 . 1 1 111 111 LEU C C 13 176.408 0.143 . 1 . . . . 130 L C . 26924 1 66 . 1 1 111 111 LEU CA C 13 52.249 0.094 . 1 . . . . 130 L CA . 26924 1 67 . 1 1 111 111 LEU N N 15 130.23 0.242 . 1 . . . . 130 L N . 26924 1 68 . 1 1 112 112 GLY C C 13 174.691 0.177 . 1 . . . . 131 G C . 26924 1 69 . 1 1 112 112 GLY CA C 13 44.306 0 . 1 . . . . 131 G CA . 26924 1 70 . 1 1 112 112 GLY N N 15 112.7 0.087 . 1 . . . . 131 G N . 26924 1 71 . 1 1 113 113 SER C C 13 172.578 0.038 . 1 . . . . 132 S C . 26924 1 72 . 1 1 113 113 SER CA C 13 58.439 0.246 . 1 . . . . 132 S CA . 26924 1 73 . 1 1 113 113 SER CB C 13 67.006 0.083 . 1 . . . . 132 S CB . 26924 1 74 . 1 1 113 113 SER N N 15 122.849 0.197 . 1 . . . . 132 S N . 26924 1 75 . 1 1 114 114 ALA C C 13 175.573 0.16 . 1 . . . . 133 A C . 26924 1 76 . 1 1 114 114 ALA CA C 13 50.225 0.11 . 1 . . . . 133 A CA . 26924 1 77 . 1 1 114 114 ALA CB C 13 24.157 0.043 . 1 . . . . 133 A CB . 26924 1 78 . 1 1 114 114 ALA N N 15 122.116 0.17 . 1 . . . . 133 A N . 26924 1 79 . 1 1 115 115 MET C C 13 174.002 0.388 . 1 . . . . 134 M C . 26924 1 80 . 1 1 115 115 MET CA C 13 54.841 0.136 . 1 . . . . 134 M CA . 26924 1 81 . 1 1 115 115 MET CB C 13 33.448 0 . 1 . . . . 134 M CB . 26924 1 82 . 1 1 115 115 MET N N 15 124.081 0.245 . 1 . . . . 134 M N . 26924 1 83 . 1 1 116 116 SER C C 13 173.93 0.077 . 1 . . . . 135 S C . 26924 1 84 . 1 1 116 116 SER CA C 13 56.073 0.144 . 1 . . . . 135 S CA . 26924 1 85 . 1 1 116 116 SER CB C 13 64.611 0.029 . 1 . . . . 135 S CB . 26924 1 86 . 1 1 116 116 SER N N 15 120.475 0.191 . 1 . . . . 135 S N . 26924 1 87 . 1 1 117 117 ARG C C 13 170.766 0.116 . 1 . . . . 136 R C . 26924 1 88 . 1 1 117 117 ARG CA C 13 53.972 0.048 . 1 . . . . 136 R CA . 26924 1 89 . 1 1 117 117 ARG N N 15 127.552 0.254 . 1 . . . . 136 R N . 26924 1 90 . 1 1 118 118 PRO C C 13 176.073 0.015 . 1 . . . . 137 P C . 26924 1 91 . 1 1 118 118 PRO CA C 13 62.644 0.073 . 1 . . . . 137 P CA . 26924 1 92 . 1 1 118 118 PRO CB C 13 32.87 0 . 1 . . . . 137 P CB . 26924 1 93 . 1 1 118 118 PRO CG C 13 27.229 0 . 1 . . . . 137 P CG . 26924 1 94 . 1 1 118 118 PRO CD C 13 49.533 0.049 . 1 . . . . 137 P CD . 26924 1 95 . 1 1 118 118 PRO N N 15 136.906 0.139 . 1 . . . . 137 P N . 26924 1 96 . 1 1 119 119 MET C C 13 175.2 0.112 . 1 . . . . 138 M C . 26924 1 97 . 1 1 119 119 MET CA C 13 55.418 0.139 . 1 . . . . 138 M CA . 26924 1 98 . 1 1 119 119 MET CB C 13 33.684 0.261 . 1 . . . . 138 M CB . 26924 1 99 . 1 1 119 119 MET N N 15 123.934 0.192 . 1 . . . . 138 M N . 26924 1 100 . 1 1 120 120 ILE C C 13 174.043 0.099 . 1 . . . . 139 I C . 26924 1 101 . 1 1 120 120 ILE CA C 13 58.149 0.064 . 1 . . . . 139 I CA . 26924 1 102 . 1 1 120 120 ILE CB C 13 42.358 0 . 1 . . . . 139 I CB . 26924 1 103 . 1 1 120 120 ILE N N 15 123.066 0.18 . 1 . . . . 139 I N . 26924 1 104 . 1 1 121 121 HIS C C 13 173.076 0.336 . 1 . . . . 140 H C . 26924 1 105 . 1 1 121 121 HIS CA C 13 56.485 0.153 . 1 . . . . 140 H CA . 26924 1 106 . 1 1 121 121 HIS N N 15 126.742 0.153 . 1 . . . . 140 H N . 26924 1 107 . 1 1 122 122 PHE C C 13 175.255 0.041 . 1 . . . . 141 F C . 26924 1 108 . 1 1 122 122 PHE CA C 13 57.807 0.163 . 1 . . . . 141 F CA . 26924 1 109 . 1 1 122 122 PHE CB C 13 41.725 0 . 1 . . . . 141 F CB . 26924 1 110 . 1 1 122 122 PHE N N 15 125.819 0.345 . 1 . . . . 141 F N . 26924 1 111 . 1 1 123 123 GLY C C 13 174.427 0 . 1 . . . . 142 G C . 26924 1 112 . 1 1 123 123 GLY CA C 13 43.81 0.061 . 1 . . . . 142 G CA . 26924 1 113 . 1 1 123 123 GLY N N 15 108.331 0.245 . 1 . . . . 142 G N . 26924 1 stop_ save_