################################### # 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 50312 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'huPrP23-144 A117V' _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' . . . 50312 1 2 '2D NCACX' . . . 50312 1 3 '3D NCACX' . . . 50312 1 4 '3D NCOCX' . . . 50312 1 5 '3D CANCOCX' . . . 50312 1 6 '2D NCOCX' . . . 50312 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 . 1 101 101 GLY C C 13 171.954 0.000 . 1 . . . . . 119 G CO . 50312 1 2 . 1 . 1 102 102 ALA C C 13 176.891 0.090 . 1 . . . . . 120 A CO . 50312 1 3 . 1 . 1 102 102 ALA CA C 13 51.391 0.093 . 1 . . . . . 120 A CA . 50312 1 4 . 1 . 1 102 102 ALA CB C 13 25.566 0.076 . 1 . . . . . 120 A CB . 50312 1 5 . 1 . 1 102 102 ALA N N 15 124.041 0.159 . 1 . . . . . 120 A N . 50312 1 6 . 1 . 1 103 103 VAL C C 13 175.610 0.257 . 1 . . . . . 121 V CO . 50312 1 7 . 1 . 1 103 103 VAL CA C 13 62.409 0.130 . 1 . . . . . 121 V CA . 50312 1 8 . 1 . 1 103 103 VAL CB C 13 40.118 0.046 . 1 . . . . . 121 V CB . 50312 1 9 . 1 . 1 103 103 VAL CG1 C 13 18.245 0.043 . 2 . . . . . 121 V CG1 . 50312 1 10 . 1 . 1 103 103 VAL N N 15 121.690 0.258 . 1 . . . . . 121 V N . 50312 1 11 . 1 . 1 104 104 VAL C C 13 176.446 0.102 . 1 . . . . . 122 V CO . 50312 1 12 . 1 . 1 104 104 VAL CA C 13 61.125 0.145 . 1 . . . . . 122 V CA . 50312 1 13 . 1 . 1 104 104 VAL CB C 13 35.833 0.069 . 1 . . . . . 122 V CB . 50312 1 14 . 1 . 1 104 104 VAL CG1 C 13 21.654 0.000 . 2 . . . . . 122 V CG1 . 50312 1 15 . 1 . 1 104 104 VAL CG2 C 13 21.300 0.019 . 2 . . . . . 122 V CG2 . 50312 1 16 . 1 . 1 104 104 VAL N N 15 126.363 0.144 . 1 . . . . . 122 V N . 50312 1 17 . 1 . 1 105 105 GLY C C 13 172.888 0.072 . 1 . . . . . 123 G CO . 50312 1 18 . 1 . 1 105 105 GLY CA C 13 46.429 0.062 . 1 . . . . . 123 G CA . 50312 1 19 . 1 . 1 105 105 GLY N N 15 112.068 0.140 . 1 . . . . . 123 G N . 50312 1 20 . 1 . 1 106 106 GLY C C 13 172.083 0.189 . 1 . . . . . 124 G CO . 50312 1 21 . 1 . 1 106 106 GLY CA C 13 45.710 0.079 . 1 . . . . . 124 G CA . 50312 1 22 . 1 . 1 106 106 GLY N N 15 109.761 0.132 . 1 . . . . . 124 G N . 50312 1 23 . 1 . 1 107 107 LEU C C 13 177.500 0.054 . 1 . . . . . 125 L CO . 50312 1 24 . 1 . 1 107 107 LEU CA C 13 53.252 0.024 . 1 . . . . . 125 L CA . 50312 1 25 . 1 . 1 107 107 LEU CB C 13 45.402 0.000 . 1 . . . . . 125 L CB . 50312 1 26 . 1 . 1 107 107 LEU N N 15 128.970 0.132 . 1 . . . . . 125 L N . 50312 1 27 . 1 . 1 108 108 GLY C C 13 174.344 0.071 . 1 . . . . . 126 G CO . 50312 1 28 . 1 . 1 108 108 GLY CA C 13 48.674 0.109 . 1 . . . . . 126 G CA . 50312 1 29 . 1 . 1 108 108 GLY N N 15 115.756 0.062 . 1 . . . . . 126 G N . 50312 1 30 . 1 . 1 109 109 GLY C C 13 171.048 0.076 . 1 . . . . . 127 G CO . 50312 1 31 . 1 . 1 109 109 GLY CA C 13 45.334 0.091 . 1 . . . . . 127 G CA . 50312 1 32 . 1 . 1 109 109 GLY N N 15 99.912 0.068 . 1 . . . . . 127 G N . 50312 1 33 . 1 . 1 110 110 TYR C C 13 176.971 0.085 . 1 . . . . . 128 Y CO . 50312 1 34 . 1 . 1 110 110 TYR CA C 13 55.803 0.066 . 1 . . . . . 128 Y CA . 50312 1 35 . 1 . 1 110 110 TYR CB C 13 43.213 0.051 . 1 . . . . . 128 Y CB . 50312 1 36 . 1 . 1 110 110 TYR N N 15 117.395 0.082 . 1 . . . . . 128 Y N . 50312 1 37 . 1 . 1 111 111 MET C C 13 173.627 0.091 . 1 . . . . . 129 M CO . 50312 1 38 . 1 . 1 111 111 MET CA C 13 58.057 0.072 . 1 . . . . . 129 M CA . 50312 1 39 . 1 . 1 111 111 MET CB C 13 34.075 0.009 . 1 . . . . . 129 M CB . 50312 1 40 . 1 . 1 111 111 MET CG C 13 29.679 0.061 . 1 . . . . . 129 M CG . 50312 1 41 . 1 . 1 111 111 MET N N 15 116.313 0.076 . 1 . . . . . 129 M N . 50312 1 42 . 1 . 1 112 112 LEU C C 13 177.775 0.126 . 1 . . . . . 130 L CO . 50312 1 43 . 1 . 1 112 112 LEU CA C 13 53.351 0.071 . 1 . . . . . 130 L CA . 50312 1 44 . 1 . 1 112 112 LEU CB C 13 43.211 0.036 . 1 . . . . . 130 L CB . 50312 1 45 . 1 . 1 112 112 LEU CG C 13 29.626 0.070 . 1 . . . . . 130 L CG . 50312 1 46 . 1 . 1 112 112 LEU CD1 C 13 27.605 0.044 . 2 . . . . . 130 L CD . 50312 1 47 . 1 . 1 112 112 LEU CD2 C 13 27.605 0.044 . 2 . . . . . 130 L CD . 50312 1 48 . 1 . 1 112 112 LEU N N 15 124.770 0.098 . 1 . . . . . 130 L N . 50312 1 49 . 1 . 1 113 113 GLY C C 13 172.884 0.097 . 1 . . . . . 131 G CO . 50312 1 50 . 1 . 1 113 113 GLY CA C 13 47.224 0.101 . 1 . . . . . 131 G CA . 50312 1 51 . 1 . 1 113 113 GLY N N 15 109.768 0.083 . 1 . . . . . 131 G N . 50312 1 52 . 1 . 1 114 114 SER C C 13 174.064 0.058 . 1 . . . . . 132 S CO . 50312 1 53 . 1 . 1 114 114 SER CA C 13 57.453 0.087 . 1 . . . . . 132 S CA . 50312 1 54 . 1 . 1 114 114 SER CB C 13 67.036 0.084 . 1 . . . . . 132 S CB . 50312 1 55 . 1 . 1 114 114 SER N N 15 108.254 0.061 . 1 . . . . . 132 S N . 50312 1 56 . 1 . 1 115 115 ALA C C 13 179.551 0.078 . 1 . . . . . 133 A CO . 50312 1 57 . 1 . 1 115 115 ALA CA C 13 51.497 0.073 . 1 . . . . . 133 A CA . 50312 1 58 . 1 . 1 115 115 ALA CB C 13 25.044 0.085 . 1 . . . . . 133 A CB . 50312 1 59 . 1 . 1 115 115 ALA N N 15 121.889 0.071 . 1 . . . . . 133 A N . 50312 1 60 . 1 . 1 116 116 MET C C 13 174.810 0.066 . 1 . . . . . 134 M CO . 50312 1 61 . 1 . 1 116 116 MET CA C 13 54.522 0.075 . 1 . . . . . 134 M CA . 50312 1 62 . 1 . 1 116 116 MET CB C 13 39.050 0.032 . 1 . . . . . 134 M CB . 50312 1 63 . 1 . 1 116 116 MET CG C 13 34.494 0.003 . 1 . . . . . 134 M CG . 50312 1 64 . 1 . 1 116 116 MET N N 15 120.889 0.100 . 1 . . . . . 134 M N . 50312 1 65 . 1 . 1 117 117 SER C C 13 172.891 0.056 . 1 . . . . . 135 S CO . 50312 1 66 . 1 . 1 117 117 SER CA C 13 54.450 0.050 . 1 . . . . . 135 S CA . 50312 1 67 . 1 . 1 117 117 SER CB C 13 65.574 0.063 . 1 . . . . . 135 S CB . 50312 1 68 . 1 . 1 117 117 SER N N 15 118.057 0.106 . 1 . . . . . 135 S N . 50312 1 69 . 1 . 1 118 118 ARG C C 13 173.092 0.000 . 1 . . . . . 136 R CO . 50312 1 70 . 1 . 1 118 118 ARG CA C 13 56.391 0.058 . 1 . . . . . 136 R CA . 50312 1 71 . 1 . 1 118 118 ARG CB C 13 28.623 0.208 . 1 . . . . . 136 R CB . 50312 1 72 . 1 . 1 118 118 ARG CG C 13 18.293 0.000 . 1 . . . . . 136 R CG . 50312 1 73 . 1 . 1 118 118 ARG CD C 13 40.108 0.000 . 1 . . . . . 136 R CD . 50312 1 74 . 1 . 1 118 118 ARG N N 15 121.708 0.094 . 1 . . . . . 136 R N . 50312 1 75 . 1 . 1 119 119 PRO C C 13 175.991 0.105 . 1 . . . . . 137 P CO . 50312 1 76 . 1 . 1 119 119 PRO CA C 13 62.382 0.135 . 1 . . . . . 137 P CA . 50312 1 77 . 1 . 1 119 119 PRO CB C 13 34.484 0.000 . 1 . . . . . 137 P CB . 50312 1 78 . 1 . 1 119 119 PRO CD C 13 51.563 0.000 . 1 . . . . . 137 P CD . 50312 1 79 . 1 . 1 120 120 ILE C C 13 174.937 0.042 . 1 . . . . . 138 I CO . 50312 1 80 . 1 . 1 120 120 ILE CA C 13 61.311 0.070 . 1 . . . . . 138 I CA . 50312 1 81 . 1 . 1 120 120 ILE CB C 13 42.529 0.063 . 1 . . . . . 138 I CB . 50312 1 82 . 1 . 1 120 120 ILE CG1 C 13 29.137 0.007 . 1 . . . . . 138 I CG1 . 50312 1 83 . 1 . 1 120 120 ILE CG2 C 13 19.086 0.020 . 1 . . . . . 138 I CG2 . 50312 1 84 . 1 . 1 120 120 ILE CD1 C 13 15.853 0.030 . 1 . . . . . 138 I CD . 50312 1 85 . 1 . 1 120 120 ILE N N 15 125.549 0.167 . 1 . . . . . 138 I N . 50312 1 86 . 1 . 1 121 121 ILE C C 13 173.855 0.000 . 1 . . . . . 139 I CO . 50312 1 87 . 1 . 1 121 121 ILE CA C 13 62.719 0.187 . 1 . . . . . 139 I CA . 50312 1 88 . 1 . 1 121 121 ILE CB C 13 35.297 0.028 . 1 . . . . . 139 I CB . 50312 1 89 . 1 . 1 121 121 ILE CG1 C 13 28.941 0.014 . 1 . . . . . 139 I CG1 . 50312 1 90 . 1 . 1 121 121 ILE N N 15 127.914 0.136 . 1 . . . . . 139 I N . 50312 1 stop_ save_