################################### # 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 50313 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'huPrP23-144 M129V' _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 NCA' . . . 50313 1 2 '2D NCACX' . . . 50313 1 3 '2D NCOCX' . . . 50313 1 4 '3D NCACX' . . . 50313 1 5 '3D NCOCX' . . . 50313 1 6 '3D CANCOCX' . . . 50313 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 . 1 102 102 ALA C C 13 177.344 0.088 . 1 . . . . . 120 A CO . 50313 1 2 . 1 . 1 103 103 VAL C C 13 176.149 0.144 . 1 . . . . . 121 V CO . 50313 1 3 . 1 . 1 103 103 VAL CA C 13 62.359 0.106 . 1 . . . . . 121 V CA . 50313 1 4 . 1 . 1 103 103 VAL CB C 13 40.471 0.079 . 1 . . . . . 121 V CB . 50313 1 5 . 1 . 1 103 103 VAL CG1 C 13 23.915 0.015 . 2 . . . . . 121 V CG1 . 50313 1 6 . 1 . 1 103 103 VAL CG2 C 13 21.355 0.021 . 2 . . . . . 121 V CG2 . 50313 1 7 . 1 . 1 103 103 VAL N N 15 121.576 0.185 . 1 . . . . . 121 V N . 50313 1 8 . 1 . 1 104 104 VAL C C 13 176.305 0.084 . 1 . . . . . 122 V CO . 50313 1 9 . 1 . 1 104 104 VAL CA C 13 61.684 0.096 . 1 . . . . . 122 V CA . 50313 1 10 . 1 . 1 104 104 VAL CB C 13 36.191 0.086 . 1 . . . . . 122 V CB . 50313 1 11 . 1 . 1 104 104 VAL CG1 C 13 21.934 0.065 . 2 . . . . . 122 V CG1 . 50313 1 12 . 1 . 1 104 104 VAL CG2 C 13 21.376 0.013 . 2 . . . . . 122 V CG2 . 50313 1 13 . 1 . 1 104 104 VAL N N 15 125.242 0.102 . 1 . . . . . 122 V N . 50313 1 14 . 1 . 1 105 105 GLY C C 13 172.588 0.202 . 1 . . . . . 123 G CO . 50313 1 15 . 1 . 1 105 105 GLY CA C 13 46.349 0.031 . 1 . . . . . 123 G CA . 50313 1 16 . 1 . 1 105 105 GLY N N 15 112.403 0.130 . 1 . . . . . 123 G N . 50313 1 17 . 1 . 1 106 106 GLY C C 13 172.411 0.165 . 1 . . . . . 124 G CO . 50313 1 18 . 1 . 1 106 106 GLY CA C 13 45.451 0.044 . 1 . . . . . 124 G CA . 50313 1 19 . 1 . 1 106 106 GLY N N 15 109.860 0.083 . 1 . . . . . 124 G N . 50313 1 20 . 1 . 1 107 107 LEU C C 13 178.503 0.083 . 1 . . . . . 125 L CO . 50313 1 21 . 1 . 1 107 107 LEU CA C 13 53.224 0.091 . 1 . . . . . 125 L CA . 50313 1 22 . 1 . 1 107 107 LEU CB C 13 45.424 0.000 . 1 . . . . . 125 L CB . 50313 1 23 . 1 . 1 107 107 LEU N N 15 126.797 0.134 . 1 . . . . . 125 L N . 50313 1 24 . 1 . 1 108 108 GLY C C 13 174.119 0.061 . 1 . . . . . 126 G CO . 50313 1 25 . 1 . 1 108 108 GLY CA C 13 49.271 0.044 . 1 . . . . . 126 G CA . 50313 1 26 . 1 . 1 108 108 GLY N N 15 114.812 0.144 . 1 . . . . . 126 G N . 50313 1 27 . 1 . 1 109 109 GLY C C 13 173.089 0.206 . 1 . . . . . 127 G CO . 50313 1 28 . 1 . 1 109 109 GLY CA C 13 46.098 0.048 . 1 . . . . . 127 G CA . 50313 1 29 . 1 . 1 109 109 GLY N N 15 97.968 0.112 . 1 . . . . . 127 G N . 50313 1 30 . 1 . 1 110 110 TYR C C 13 175.758 0.173 . 1 . . . . . 128 Y CO . 50313 1 31 . 1 . 1 110 110 TYR CA C 13 62.981 0.053 . 1 . . . . . 128 Y CA . 50313 1 32 . 1 . 1 110 110 TYR CB C 13 39.949 0.008 . 1 . . . . . 128 Y CB . 50313 1 33 . 1 . 1 110 110 TYR N N 15 116.862 0.070 . 1 . . . . . 128 Y N . 50313 1 34 . 1 . 1 111 111 VAL C C 13 174.790 0.143 . 1 . . . . . 129 V CO . 50313 1 35 . 1 . 1 111 111 VAL CA C 13 62.314 0.124 . 1 . . . . . 129 V CA . 50313 1 36 . 1 . 1 111 111 VAL CB C 13 33.867 0.039 . 1 . . . . . 129 V CB . 50313 1 37 . 1 . 1 111 111 VAL CG1 C 13 22.724 0.060 . 2 . . . . . 129 V CG1 . 50313 1 38 . 1 . 1 111 111 VAL CG2 C 13 21.002 0.014 . 2 . . . . . 129 V CG2 . 50313 1 39 . 1 . 1 111 111 VAL N N 15 119.017 0.056 . 1 . . . . . 129 V N . 50313 1 40 . 1 . 1 112 112 LEU C C 13 179.729 0.118 . 1 . . . . . 130 L CO . 50313 1 41 . 1 . 1 112 112 LEU CA C 13 54.259 0.052 . 1 . . . . . 130 L CA . 50313 1 42 . 1 . 1 112 112 LEU CB C 13 45.812 0.019 . 1 . . . . . 130 L CB . 50313 1 43 . 1 . 1 112 112 LEU CG C 13 29.599 0.025 . 1 . . . . . 130 L CG . 50313 1 44 . 1 . 1 112 112 LEU N N 15 126.699 0.130 . 1 . . . . . 130 L N . 50313 1 45 . 1 . 1 113 113 GLY C C 13 175.289 0.067 . 1 . . . . . 131 G CO . 50313 1 46 . 1 . 1 113 113 GLY CA C 13 48.917 0.039 . 1 . . . . . 131 G CA . 50313 1 47 . 1 . 1 113 113 GLY N N 15 114.345 0.107 . 1 . . . . . 131 G N . 50313 1 48 . 1 . 1 114 114 SER C C 13 171.487 0.097 . 1 . . . . . 132 S CO . 50313 1 49 . 1 . 1 114 114 SER CA C 13 59.092 0.081 . 1 . . . . . 132 S CA . 50313 1 50 . 1 . 1 114 114 SER CB C 13 68.765 0.055 . 1 . . . . . 132 S CB . 50313 1 51 . 1 . 1 114 114 SER N N 15 111.389 0.070 . 1 . . . . . 132 S N . 50313 1 52 . 1 . 1 115 115 ALA C C 13 177.386 0.116 . 1 . . . . . 133 A CO . 50313 1 53 . 1 . 1 115 115 ALA CA C 13 50.877 0.045 . 1 . . . . . 133 A CA . 50313 1 54 . 1 . 1 115 115 ALA CB C 13 25.437 0.031 . 1 . . . . . 133 A CB . 50313 1 55 . 1 . 1 115 115 ALA N N 15 124.933 0.100 . 1 . . . . . 133 A N . 50313 1 56 . 1 . 1 116 116 MET C C 13 175.214 0.143 . 1 . . . . . 134 M CO . 50313 1 57 . 1 . 1 116 116 MET CA C 13 54.317 0.047 . 1 . . . . . 134 M CA . 50313 1 58 . 1 . 1 116 116 MET CB C 13 38.322 0.062 . 1 . . . . . 134 M CB . 50313 1 59 . 1 . 1 116 116 MET CG C 13 35.358 0.040 . 1 . . . . . 134 M CG . 50313 1 60 . 1 . 1 116 116 MET N N 15 116.426 0.108 . 1 . . . . . 134 M N . 50313 1 61 . 1 . 1 117 117 SER C C 13 173.329 0.080 . 1 . . . . . 135 S CO . 50313 1 62 . 1 . 1 117 117 SER CA C 13 54.300 0.047 . 1 . . . . . 135 S CA . 50313 1 63 . 1 . 1 117 117 SER CB C 13 65.761 0.042 . 1 . . . . . 135 S CB . 50313 1 64 . 1 . 1 117 117 SER N N 15 117.787 0.117 . 1 . . . . . 135 S N . 50313 1 65 . 1 . 1 118 118 ARG C C 13 173.137 0.059 . 1 . . . . . 136 R CO . 50313 1 66 . 1 . 1 118 118 ARG CA C 13 56.500 0.044 . 1 . . . . . 136 R CA . 50313 1 67 . 1 . 1 118 118 ARG CB C 13 31.435 0.077 . 1 . . . . . 136 R CB . 50313 1 68 . 1 . 1 118 118 ARG N N 15 122.456 0.050 . 1 . . . . . 136 R N . 50313 1 69 . 1 . 1 119 119 PRO C C 13 176.298 0.000 . 1 . . . . . 137 P CO . 50313 1 70 . 1 . 1 119 119 PRO CA C 13 62.055 0.000 . 1 . . . . . 137 P CA . 50313 1 71 . 1 . 1 120 120 ILE C C 13 175.046 0.226 . 1 . . . . . 138 I CO . 50313 1 72 . 1 . 1 120 120 ILE CA C 13 60.256 0.079 . 1 . . . . . 138 I CA . 50313 1 73 . 1 . 1 120 120 ILE CB C 13 42.381 0.029 . 1 . . . . . 138 I CB . 50313 1 74 . 1 . 1 120 120 ILE CG1 C 13 27.887 0.031 . 1 . . . . . 138 I CG1 . 50313 1 75 . 1 . 1 120 120 ILE CG2 C 13 19.073 0.019 . 1 . . . . . 138 I CG2 . 50313 1 76 . 1 . 1 120 120 ILE CD1 C 13 14.422 0.007 . 1 . . . . . 138 I CD . 50313 1 77 . 1 . 1 120 120 ILE N N 15 123.444 0.107 . 1 . . . . . 138 I N . 50313 1 78 . 1 . 1 121 121 ILE C C 13 174.611 0.031 . 1 . . . . . 139 I CO . 50313 1 79 . 1 . 1 121 121 ILE CA C 13 55.303 0.036 . 1 . . . . . 139 I CA . 50313 1 80 . 1 . 1 121 121 ILE N N 15 126.277 0.089 . 1 . . . . . 139 I N . 50313 1 stop_ save_