################################### # 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 51044 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name hpMR1_TAPBPR_assignments _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-13C HMQC' . . . 51044 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 . . 51044 1 2 $software_2 . . 51044 1 3 $software_3 . . 51044 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 6 6 LEU HD21 H 1 1.083 . . . . . . . . 6 L QD2 . 51044 1 2 . 1 . 1 6 6 LEU HD22 H 1 1.083 . . . . . . . . 6 L QD2 . 51044 1 3 . 1 . 1 6 6 LEU HD23 H 1 1.083 . . . . . . . . 6 L QD2 . 51044 1 4 . 1 . 1 6 6 LEU CD2 C 13 26.988 . . . . . . . . 6 L CD2 . 51044 1 5 . 1 . 1 11 11 LEU HD21 H 1 0.956 . . . . . . . . 11 L QD2 . 51044 1 6 . 1 . 1 11 11 LEU HD22 H 1 0.956 . . . . . . . . 11 L QD2 . 51044 1 7 . 1 . 1 11 11 LEU HD23 H 1 0.956 . . . . . . . . 11 L QD2 . 51044 1 8 . 1 . 1 11 11 LEU CD2 C 13 25.302 . . . . . . . . 11 L CD2 . 51044 1 9 . 1 . 1 13 13 VAL HG21 H 1 0.815 . . . . . . . . 13 V QG2 . 51044 1 10 . 1 . 1 13 13 VAL HG22 H 1 0.815 . . . . . . . . 13 V QG2 . 51044 1 11 . 1 . 1 13 13 VAL HG23 H 1 0.815 . . . . . . . . 13 V QG2 . 51044 1 12 . 1 . 1 13 13 VAL CG2 C 13 19.730 . . . . . . . . 13 V CG2 . 51044 1 13 . 1 . 1 17 17 ILE HD11 H 1 1.017 . . . . . . . . 17 I QD1 . 51044 1 14 . 1 . 1 17 17 ILE HD12 H 1 1.017 . . . . . . . . 17 I QD1 . 51044 1 15 . 1 . 1 17 17 ILE HD13 H 1 1.017 . . . . . . . . 17 I QD1 . 51044 1 16 . 1 . 1 17 17 ILE CD1 C 13 14.594 . . . . . . . . 17 I CD1 . 51044 1 17 . 1 . 1 20 20 VAL HG21 H 1 0.967 . . . . . . . . 20 V QG2 . 51044 1 18 . 1 . 1 20 20 VAL HG22 H 1 0.967 . . . . . . . . 20 V QG2 . 51044 1 19 . 1 . 1 20 20 VAL HG23 H 1 0.967 . . . . . . . . 20 V QG2 . 51044 1 20 . 1 . 1 20 20 VAL CG2 C 13 20.668 . . . . . . . . 20 V CG2 . 51044 1 21 . 1 . 1 24 24 ILE HD11 H 1 0.844 . . . . . . . . 24 I QD1 . 51044 1 22 . 1 . 1 24 24 ILE HD12 H 1 0.844 . . . . . . . . 24 I QD1 . 51044 1 23 . 1 . 1 24 24 ILE HD13 H 1 0.844 . . . . . . . . 24 I QD1 . 51044 1 24 . 1 . 1 24 24 ILE CD1 C 13 13.598 . . . . . . . . 24 I CD1 . 51044 1 25 . 1 . 1 26 26 VAL HG21 H 1 0.850 . . . . . . . . 26 V QG2 . 51044 1 26 . 1 . 1 26 26 VAL HG22 H 1 0.850 . . . . . . . . 26 V QG2 . 51044 1 27 . 1 . 1 26 26 VAL HG23 H 1 0.850 . . . . . . . . 26 V QG2 . 51044 1 28 . 1 . 1 26 26 VAL CG2 C 13 20.453 . . . . . . . . 26 V CG2 . 51044 1 29 . 1 . 1 29 29 VAL HG21 H 1 1.306 . . . . . . . . 29 V QG2 . 51044 1 30 . 1 . 1 29 29 VAL HG22 H 1 1.306 . . . . . . . . 29 V QG2 . 51044 1 31 . 1 . 1 29 29 VAL HG23 H 1 1.306 . . . . . . . . 29 V QG2 . 51044 1 32 . 1 . 1 29 29 VAL CG2 C 13 24.575 . . . . . . . . 29 V CG2 . 51044 1 33 . 1 . 1 34 34 ILE HD11 H 1 0.424 . . . . . . . . 34 I QD1 . 51044 1 34 . 1 . 1 34 34 ILE HD12 H 1 0.424 . . . . . . . . 34 I QD1 . 51044 1 35 . 1 . 1 34 34 ILE HD13 H 1 0.424 . . . . . . . . 34 I QD1 . 51044 1 36 . 1 . 1 34 34 ILE CD1 C 13 14.714 . . . . . . . . 34 I CD1 . 51044 1 37 . 1 . 1 40 40 VAL HG21 H 1 1.152 . . . . . . . . 40 V QG2 . 51044 1 38 . 1 . 1 40 40 VAL HG22 H 1 1.152 . . . . . . . . 40 V QG2 . 51044 1 39 . 1 . 1 40 40 VAL HG23 H 1 1.152 . . . . . . . . 40 V QG2 . 51044 1 40 . 1 . 1 40 40 VAL CG2 C 13 22.218 . . . . . . . . 40 V CG2 . 51044 1 41 . 1 . 1 55 55 LEU HD21 H 1 0.530 . . . . . . . . 55 L QD2 . 51044 1 42 . 1 . 1 55 55 LEU HD22 H 1 0.530 . . . . . . . . 55 L QD2 . 51044 1 43 . 1 . 1 55 55 LEU HD23 H 1 0.530 . . . . . . . . 55 L QD2 . 51044 1 44 . 1 . 1 55 55 LEU CD2 C 13 22.611 . . . . . . . . 55 L CD2 . 51044 1 45 . 1 . 1 66 66 LEU HD21 H 1 1.067 . . . . . . . . 66 L QD2 . 51044 1 46 . 1 . 1 66 66 LEU HD22 H 1 1.067 . . . . . . . . 66 L QD2 . 51044 1 47 . 1 . 1 66 66 LEU HD23 H 1 1.067 . . . . . . . . 66 L QD2 . 51044 1 48 . 1 . 1 66 66 LEU CD2 C 13 23.849 . . . . . . . . 66 L CD2 . 51044 1 49 . 1 . 1 67 67 LEU HD21 H 1 0.906 . . . . . . . . 67 L QD2 . 51044 1 50 . 1 . 1 67 67 LEU HD22 H 1 0.906 . . . . . . . . 67 L QD2 . 51044 1 51 . 1 . 1 67 67 LEU HD23 H 1 0.906 . . . . . . . . 67 L QD2 . 51044 1 52 . 1 . 1 67 67 LEU CD2 C 13 25.001 . . . . . . . . 67 L CD2 . 51044 1 53 . 1 . 1 76 76 VAL HG21 H 1 0.756 . . . . . . . . 76 V QG2 . 51044 1 54 . 1 . 1 76 76 VAL HG22 H 1 0.756 . . . . . . . . 76 V QG2 . 51044 1 55 . 1 . 1 76 76 VAL HG23 H 1 0.756 . . . . . . . . 76 V QG2 . 51044 1 56 . 1 . 1 76 76 VAL CG2 C 13 21.275 . . . . . . . . 76 V CG2 . 51044 1 57 . 1 . 1 78 78 LEU HD21 H 1 1.196 . . . . . . . . 78 L QD2 . 51044 1 58 . 1 . 1 78 78 LEU HD22 H 1 1.196 . . . . . . . . 78 L QD2 . 51044 1 59 . 1 . 1 78 78 LEU HD23 H 1 1.196 . . . . . . . . 78 L QD2 . 51044 1 60 . 1 . 1 78 78 LEU CD2 C 13 25.198 . . . . . . . . 78 L CD2 . 51044 1 61 . 1 . 1 81 81 LEU HD21 H 1 0.115 . . . . . . . . 81 L QD2 . 51044 1 62 . 1 . 1 81 81 LEU HD22 H 1 0.115 . . . . . . . . 81 L QD2 . 51044 1 63 . 1 . 1 81 81 LEU HD23 H 1 0.115 . . . . . . . . 81 L QD2 . 51044 1 64 . 1 . 1 81 81 LEU CD2 C 13 24.056 . . . . . . . . 81 L CD2 . 51044 1 65 . 1 . 1 97 97 ILE HD11 H 1 0.412 . . . . . . . . 97 I QD1 . 51044 1 66 . 1 . 1 97 97 ILE HD12 H 1 0.412 . . . . . . . . 97 I QD1 . 51044 1 67 . 1 . 1 97 97 ILE HD13 H 1 0.412 . . . . . . . . 97 I QD1 . 51044 1 68 . 1 . 1 97 97 ILE CD1 C 13 14.229 . . . . . . . . 97 I CD1 . 51044 1 69 . 1 . 1 101 101 LEU HD21 H 1 0.757 . . . . . . . . 101 L QD2 . 51044 1 70 . 1 . 1 101 101 LEU HD22 H 1 0.757 . . . . . . . . 101 L QD2 . 51044 1 71 . 1 . 1 101 101 LEU HD23 H 1 0.757 . . . . . . . . 101 L QD2 . 51044 1 72 . 1 . 1 101 101 LEU CD2 C 13 25.765 . . . . . . . . 101 L CD2 . 51044 1 73 . 1 . 1 102 102 LEU HD21 H 1 0.746 . . . . . . . . 102 L QD2 . 51044 1 74 . 1 . 1 102 102 LEU HD22 H 1 0.746 . . . . . . . . 102 L QD2 . 51044 1 75 . 1 . 1 102 102 LEU HD23 H 1 0.746 . . . . . . . . 102 L QD2 . 51044 1 76 . 1 . 1 102 102 LEU CD2 C 13 24.476 . . . . . . . . 102 L CD2 . 51044 1 77 . 1 . 1 111 111 LEU HD21 H 1 0.250 . . . . . . . . 111 L QD2 . 51044 1 78 . 1 . 1 111 111 LEU HD22 H 1 0.250 . . . . . . . . 111 L QD2 . 51044 1 79 . 1 . 1 111 111 LEU HD23 H 1 0.250 . . . . . . . . 111 L QD2 . 51044 1 80 . 1 . 1 111 111 LEU CD2 C 13 23.696 . . . . . . . . 111 L CD2 . 51044 1 81 . 1 . 1 121 121 LEU HD21 H 1 0.513 . . . . . . . . 121 L QD2 . 51044 1 82 . 1 . 1 121 121 LEU HD22 H 1 0.513 . . . . . . . . 121 L QD2 . 51044 1 83 . 1 . 1 121 121 LEU HD23 H 1 0.513 . . . . . . . . 121 L QD2 . 51044 1 84 . 1 . 1 121 121 LEU CD2 C 13 23.522 . . . . . . . . 121 L CD2 . 51044 1 85 . 1 . 1 122 122 ILE HD11 H 1 0.899 . . . . . . . . 122 I QD1 . 51044 1 86 . 1 . 1 122 122 ILE HD12 H 1 0.899 . . . . . . . . 122 I QD1 . 51044 1 87 . 1 . 1 122 122 ILE HD13 H 1 0.899 . . . . . . . . 122 I QD1 . 51044 1 88 . 1 . 1 122 122 ILE CD1 C 13 13.613 . . . . . . . . 122 I CD1 . 51044 1 89 . 1 . 1 128 128 LEU HD21 H 1 0.022 . . . . . . . . 128 L QD2 . 51044 1 90 . 1 . 1 128 128 LEU HD22 H 1 0.022 . . . . . . . . 128 L QD2 . 51044 1 91 . 1 . 1 128 128 LEU HD23 H 1 0.022 . . . . . . . . 128 L QD2 . 51044 1 92 . 1 . 1 128 128 LEU CD2 C 13 25.653 . . . . . . . . 128 L CD2 . 51044 1 93 . 1 . 1 131 131 LEU HD21 H 1 0.828 . . . . . . . . 131 L QD2 . 51044 1 94 . 1 . 1 131 131 LEU HD22 H 1 0.828 . . . . . . . . 131 L QD2 . 51044 1 95 . 1 . 1 131 131 LEU HD23 H 1 0.828 . . . . . . . . 131 L QD2 . 51044 1 96 . 1 . 1 131 131 LEU CD2 C 13 24.745 . . . . . . . . 131 L CD2 . 51044 1 97 . 1 . 1 133 133 VAL HG21 H 1 0.958 . . . . . . . . 133 V QG2 . 51044 1 98 . 1 . 1 133 133 VAL HG22 H 1 0.958 . . . . . . . . 133 V QG2 . 51044 1 99 . 1 . 1 133 133 VAL HG23 H 1 0.958 . . . . . . . . 133 V QG2 . 51044 1 100 . 1 . 1 133 133 VAL CG2 C 13 19.190 . . . . . . . . 133 V CG2 . 51044 1 101 . 1 . 1 136 136 VAL HG21 H 1 0.196 . . . . . . . . 136 V QG2 . 51044 1 102 . 1 . 1 136 136 VAL HG22 H 1 0.196 . . . . . . . . 136 V QG2 . 51044 1 103 . 1 . 1 136 136 VAL HG23 H 1 0.196 . . . . . . . . 136 V QG2 . 51044 1 104 . 1 . 1 136 136 VAL CG2 C 13 22.195 . . . . . . . . 136 V CG2 . 51044 1 105 . 1 . 1 140 140 ILE HD11 H 1 0.282 . . . . . . . . 140 I QD1 . 51044 1 106 . 1 . 1 140 140 ILE HD12 H 1 0.282 . . . . . . . . 140 I QD1 . 51044 1 107 . 1 . 1 140 140 ILE HD13 H 1 0.282 . . . . . . . . 140 I QD1 . 51044 1 108 . 1 . 1 140 140 ILE CD1 C 13 10.809 . . . . . . . . 140 I CD1 . 51044 1 109 . 1 . 1 151 151 LEU HD21 H 1 0.806 . . . . . . . . 151 L QD2 . 51044 1 110 . 1 . 1 151 151 LEU HD22 H 1 0.806 . . . . . . . . 151 L QD2 . 51044 1 111 . 1 . 1 151 151 LEU HD23 H 1 0.806 . . . . . . . . 151 L QD2 . 51044 1 112 . 1 . 1 151 151 LEU CD2 C 13 22.655 . . . . . . . . 151 L CD2 . 51044 1 113 . 1 . 1 152 152 LEU HD21 H 1 0.886 . . . . . . . . 152 L QD2 . 51044 1 114 . 1 . 1 152 152 LEU HD22 H 1 0.886 . . . . . . . . 152 L QD2 . 51044 1 115 . 1 . 1 152 152 LEU HD23 H 1 0.886 . . . . . . . . 152 L QD2 . 51044 1 116 . 1 . 1 152 152 LEU CD2 C 13 24.554 . . . . . . . . 152 L CD2 . 51044 1 117 . 1 . 1 158 158 LEU HD21 H 1 0.111 . . . . . . . . 158 L QD2 . 51044 1 118 . 1 . 1 158 158 LEU HD22 H 1 0.111 . . . . . . . . 158 L QD2 . 51044 1 119 . 1 . 1 158 158 LEU HD23 H 1 0.111 . . . . . . . . 158 L QD2 . 51044 1 120 . 1 . 1 158 158 LEU CD2 C 13 21.860 . . . . . . . . 158 L CD2 . 51044 1 121 . 1 . 1 163 163 ILE HD11 H 1 0.711 . . . . . . . . 163 I QD1 . 51044 1 122 . 1 . 1 163 163 ILE HD12 H 1 0.711 . . . . . . . . 163 I QD1 . 51044 1 123 . 1 . 1 163 163 ILE HD13 H 1 0.711 . . . . . . . . 163 I QD1 . 51044 1 124 . 1 . 1 163 163 ILE CD1 C 13 9.052 . . . . . . . . 163 I CD1 . 51044 1 125 . 1 . 1 166 166 LEU HD21 H 1 0.798 . . . . . . . . 166 L QD2 . 51044 1 126 . 1 . 1 166 166 LEU HD22 H 1 0.798 . . . . . . . . 166 L QD2 . 51044 1 127 . 1 . 1 166 166 LEU HD23 H 1 0.798 . . . . . . . . 166 L QD2 . 51044 1 128 . 1 . 1 166 166 LEU CD2 C 13 26.922 . . . . . . . . 166 L CD2 . 51044 1 129 . 1 . 1 170 170 LEU HD21 H 1 0.880 . . . . . . . . 170 L QD2 . 51044 1 130 . 1 . 1 170 170 LEU HD22 H 1 0.880 . . . . . . . . 170 L QD2 . 51044 1 131 . 1 . 1 170 170 LEU HD23 H 1 0.880 . . . . . . . . 170 L QD2 . 51044 1 132 . 1 . 1 170 170 LEU CD2 C 13 23.955 . . . . . . . . 170 L CD2 . 51044 1 133 . 1 . 1 177 177 LEU HD21 H 1 0.542 . . . . . . . . 177 L QD2 . 51044 1 134 . 1 . 1 177 177 LEU HD22 H 1 0.542 . . . . . . . . 177 L QD2 . 51044 1 135 . 1 . 1 177 177 LEU HD23 H 1 0.542 . . . . . . . . 177 L QD2 . 51044 1 136 . 1 . 1 177 177 LEU CD2 C 13 25.507 . . . . . . . . 177 L CD2 . 51044 1 137 . 1 . 1 185 185 VAL HG21 H 1 1.042 . . . . . . . . 185 V QG2 . 51044 1 138 . 1 . 1 185 185 VAL HG22 H 1 1.042 . . . . . . . . 185 V QG2 . 51044 1 139 . 1 . 1 185 185 VAL HG23 H 1 1.042 . . . . . . . . 185 V QG2 . 51044 1 140 . 1 . 1 185 185 VAL CG2 C 13 21.451 . . . . . . . . 185 V CG2 . 51044 1 141 . 1 . 1 187 187 VAL HG21 H 1 0.782 . . . . . . . . 187 V QG2 . 51044 1 142 . 1 . 1 187 187 VAL HG22 H 1 0.782 . . . . . . . . 187 V QG2 . 51044 1 143 . 1 . 1 187 187 VAL HG23 H 1 0.782 . . . . . . . . 187 V QG2 . 51044 1 144 . 1 . 1 187 187 VAL CG2 C 13 21.893 . . . . . . . . 187 V CG2 . 51044 1 145 . 1 . 1 196 196 ILE HD11 H 1 0.715 . . . . . . . . 196 I QD1 . 51044 1 146 . 1 . 1 196 196 ILE HD12 H 1 0.715 . . . . . . . . 196 I QD1 . 51044 1 147 . 1 . 1 196 196 ILE HD13 H 1 0.715 . . . . . . . . 196 I QD1 . 51044 1 148 . 1 . 1 196 196 ILE CD1 C 13 13.575 . . . . . . . . 196 I CD1 . 51044 1 149 . 1 . 1 199 199 LEU HD21 H 1 0.851 . . . . . . . . 199 L QD2 . 51044 1 150 . 1 . 1 199 199 LEU HD22 H 1 0.851 . . . . . . . . 199 L QD2 . 51044 1 151 . 1 . 1 199 199 LEU HD23 H 1 0.851 . . . . . . . . 199 L QD2 . 51044 1 152 . 1 . 1 199 199 LEU CD2 C 13 23.431 . . . . . . . . 199 L CD2 . 51044 1 153 . 1 . 1 211 211 ILE HD11 H 1 0.555 . . . . . . . . 211 I QD1 . 51044 1 154 . 1 . 1 211 211 ILE HD12 H 1 0.555 . . . . . . . . 211 I QD1 . 51044 1 155 . 1 . 1 211 211 ILE HD13 H 1 0.555 . . . . . . . . 211 I QD1 . 51044 1 156 . 1 . 1 211 211 ILE CD1 C 13 14.767 . . . . . . . . 211 I CD1 . 51044 1 157 . 1 . 1 213 213 ILE HD11 H 1 -0.660 . . . . . . . . 213 I QD1 . 51044 1 158 . 1 . 1 213 213 ILE HD12 H 1 -0.660 . . . . . . . . 213 I QD1 . 51044 1 159 . 1 . 1 213 213 ILE HD13 H 1 -0.660 . . . . . . . . 213 I QD1 . 51044 1 160 . 1 . 1 213 213 ILE CD1 C 13 12.049 . . . . . . . . 213 I CD1 . 51044 1 161 . 1 . 1 222 222 ILE HD11 H 1 0.941 . . . . . . . . 222 I QD1 . 51044 1 162 . 1 . 1 222 222 ILE HD12 H 1 0.941 . . . . . . . . 222 I QD1 . 51044 1 163 . 1 . 1 222 222 ILE HD13 H 1 0.941 . . . . . . . . 222 I QD1 . 51044 1 164 . 1 . 1 222 222 ILE CD1 C 13 14.752 . . . . . . . . 222 I CD1 . 51044 1 165 . 1 . 1 231 231 ILE HD11 H 1 0.708 . . . . . . . . 231 I QD1 . 51044 1 166 . 1 . 1 231 231 ILE HD12 H 1 0.708 . . . . . . . . 231 I QD1 . 51044 1 167 . 1 . 1 231 231 ILE HD13 H 1 0.708 . . . . . . . . 231 I QD1 . 51044 1 168 . 1 . 1 231 231 ILE CD1 C 13 11.286 . . . . . . . . 231 I CD1 . 51044 1 169 . 1 . 1 232 232 LEU HD21 H 1 0.325 . . . . . . . . 232 L QD2 . 51044 1 170 . 1 . 1 232 232 LEU HD22 H 1 0.325 . . . . . . . . 232 L QD2 . 51044 1 171 . 1 . 1 232 232 LEU HD23 H 1 0.325 . . . . . . . . 232 L QD2 . 51044 1 172 . 1 . 1 232 232 LEU CD2 C 13 22.039 . . . . . . . . 232 L CD2 . 51044 1 173 . 1 . 1 243 243 VAL HG21 H 1 0.851 . . . . . . . . 243 V QG2 . 51044 1 174 . 1 . 1 243 243 VAL HG22 H 1 0.851 . . . . . . . . 243 V QG2 . 51044 1 175 . 1 . 1 243 243 VAL HG23 H 1 0.851 . . . . . . . . 243 V QG2 . 51044 1 176 . 1 . 1 243 243 VAL CG2 C 13 21.147 . . . . . . . . 243 V CG2 . 51044 1 177 . 1 . 1 245 245 VAL HG21 H 1 0.641 . . . . . . . . 245 V QG2 . 51044 1 178 . 1 . 1 245 245 VAL HG22 H 1 0.641 . . . . . . . . 245 V QG2 . 51044 1 179 . 1 . 1 245 245 VAL HG23 H 1 0.641 . . . . . . . . 245 V QG2 . 51044 1 180 . 1 . 1 245 245 VAL CG2 C 13 21.485 . . . . . . . . 245 V CG2 . 51044 1 181 . 1 . 1 247 247 LEU HD21 H 1 0.922 . . . . . . . . 247 L QD2 . 51044 1 182 . 1 . 1 247 247 LEU HD22 H 1 0.922 . . . . . . . . 247 L QD2 . 51044 1 183 . 1 . 1 247 247 LEU HD23 H 1 0.922 . . . . . . . . 247 L QD2 . 51044 1 184 . 1 . 1 247 247 LEU CD2 C 13 23.451 . . . . . . . . 247 L CD2 . 51044 1 185 . 1 . 1 254 254 ILE HD11 H 1 0.816 . . . . . . . . 254 I QD1 . 51044 1 186 . 1 . 1 254 254 ILE HD12 H 1 0.816 . . . . . . . . 254 I QD1 . 51044 1 187 . 1 . 1 254 254 ILE HD13 H 1 0.816 . . . . . . . . 254 I QD1 . 51044 1 188 . 1 . 1 254 254 ILE CD1 C 13 11.981 . . . . . . . . 254 I CD1 . 51044 1 189 . 1 . 1 259 259 VAL HG21 H 1 1.031 . . . . . . . . 259 V QG2 . 51044 1 190 . 1 . 1 259 259 VAL HG22 H 1 1.031 . . . . . . . . 259 V QG2 . 51044 1 191 . 1 . 1 259 259 VAL HG23 H 1 1.031 . . . . . . . . 259 V QG2 . 51044 1 192 . 1 . 1 259 259 VAL CG2 C 13 22.247 . . . . . . . . 259 V CG2 . 51044 1 193 . 1 . 1 264 264 VAL HG21 H 1 0.922 . . . . . . . . 264 V QG2 . 51044 1 194 . 1 . 1 264 264 VAL HG22 H 1 0.922 . . . . . . . . 264 V QG2 . 51044 1 195 . 1 . 1 264 264 VAL HG23 H 1 0.922 . . . . . . . . 264 V QG2 . 51044 1 196 . 1 . 1 264 264 VAL CG2 C 13 21.268 . . . . . . . . 264 V CG2 . 51044 1 197 . 1 . 1 267 267 VAL HG21 H 1 0.580 . . . . . . . . 267 V QG2 . 51044 1 198 . 1 . 1 267 267 VAL HG22 H 1 0.580 . . . . . . . . 267 V QG2 . 51044 1 199 . 1 . 1 267 267 VAL HG23 H 1 0.580 . . . . . . . . 267 V QG2 . 51044 1 200 . 1 . 1 267 267 VAL CG2 C 13 21.085 . . . . . . . . 267 V CG2 . 51044 1 201 . 1 . 1 268 268 LEU HD21 H 1 0.866 . . . . . . . . 268 L QD2 . 51044 1 202 . 1 . 1 268 268 LEU HD22 H 1 0.866 . . . . . . . . 268 L QD2 . 51044 1 203 . 1 . 1 268 268 LEU HD23 H 1 0.866 . . . . . . . . 268 L QD2 . 51044 1 204 . 1 . 1 268 268 LEU CD2 C 13 25.609 . . . . . . . . 268 L CD2 . 51044 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51044 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Bb2m_TAPBPR_assignments _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 2 '2D 1H-13C HMQC' . . . 51044 2 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 . . 51044 2 2 $software_2 . . 51044 2 3 $software_3 . . 51044 2 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 . 2 . 2 2 2 ILE HD11 H 1 0.905 . . . . . . . . 2 I QD1 . 51044 2 2 . 2 . 2 2 2 ILE HD12 H 1 0.905 . . . . . . . . 2 I QD1 . 51044 2 3 . 2 . 2 2 2 ILE HD13 H 1 0.905 . . . . . . . . 2 I QD1 . 51044 2 4 . 2 . 2 2 2 ILE CD1 C 13 12.718 . . . . . . . . 2 I CD1 . 51044 2 5 . 2 . 2 8 8 ILE HD11 H 1 0.680 . . . . . . . . 8 I QD1 . 51044 2 6 . 2 . 2 8 8 ILE HD12 H 1 0.680 . . . . . . . . 8 I QD1 . 51044 2 7 . 2 . 2 8 8 ILE HD13 H 1 0.680 . . . . . . . . 8 I QD1 . 51044 2 8 . 2 . 2 8 8 ILE CD1 C 13 14.552 . . . . . . . . 8 I CD1 . 51044 2 9 . 2 . 2 10 10 VAL HG11 H 1 0.898 . . . . . . . . 10 V QG1 . 51044 2 10 . 2 . 2 10 10 VAL HG12 H 1 0.898 . . . . . . . . 10 V QG1 . 51044 2 11 . 2 . 2 10 10 VAL HG13 H 1 0.898 . . . . . . . . 10 V QG1 . 51044 2 12 . 2 . 2 10 10 VAL HG21 H 1 0.898 . . . . . . . . 10 V QG2 . 51044 2 13 . 2 . 2 10 10 VAL HG22 H 1 0.898 . . . . . . . . 10 V QG2 . 51044 2 14 . 2 . 2 10 10 VAL HG23 H 1 0.898 . . . . . . . . 10 V QG2 . 51044 2 15 . 2 . 2 10 10 VAL CG1 C 13 21.149 . . . . . . . . 10 V CG1 . 51044 2 16 . 2 . 2 10 10 VAL CG2 C 13 24.992 . . . . . . . . 10 V CG2 . 51044 2 17 . 2 . 2 24 24 LEU HD11 H 1 -0.647 . . . . . . . . 24 L QD1 . 51044 2 18 . 2 . 2 24 24 LEU HD12 H 1 -0.647 . . . . . . . . 24 L QD1 . 51044 2 19 . 2 . 2 24 24 LEU HD13 H 1 -0.647 . . . . . . . . 24 L QD1 . 51044 2 20 . 2 . 2 24 24 LEU HD21 H 1 -0.096 . . . . . . . . 24 L QD2 . 51044 2 21 . 2 . 2 24 24 LEU HD22 H 1 -0.096 . . . . . . . . 24 L QD2 . 51044 2 22 . 2 . 2 24 24 LEU HD23 H 1 -0.096 . . . . . . . . 24 L QD2 . 51044 2 23 . 2 . 2 24 24 LEU CD1 C 13 20.993 . . . . . . . . 24 L CD1 . 51044 2 24 . 2 . 2 24 24 LEU CD2 C 13 25.853 . . . . . . . . 24 L CD2 . 51044 2 25 . 2 . 2 28 28 VAL HG11 H 1 0.846 . . . . . . . . 28 V QG1 . 51044 2 26 . 2 . 2 28 28 VAL HG12 H 1 0.846 . . . . . . . . 28 V QG1 . 51044 2 27 . 2 . 2 28 28 VAL HG13 H 1 0.846 . . . . . . . . 28 V QG1 . 51044 2 28 . 2 . 2 28 28 VAL HG21 H 1 0.860 . . . . . . . . 28 V QG2 . 51044 2 29 . 2 . 2 28 28 VAL HG22 H 1 0.860 . . . . . . . . 28 V QG2 . 51044 2 30 . 2 . 2 28 28 VAL HG23 H 1 0.860 . . . . . . . . 28 V QG2 . 51044 2 31 . 2 . 2 28 28 VAL CG1 C 13 23.486 . . . . . . . . 28 V CG1 . 51044 2 32 . 2 . 2 28 28 VAL CG2 C 13 23.689 . . . . . . . . 28 V CG2 . 51044 2 33 . 2 . 2 36 36 ILE HD11 H 1 -0.611 . . . . . . . . 36 I QD1 . 51044 2 34 . 2 . 2 36 36 ILE HD12 H 1 -0.611 . . . . . . . . 36 I QD1 . 51044 2 35 . 2 . 2 36 36 ILE HD13 H 1 -0.611 . . . . . . . . 36 I QD1 . 51044 2 36 . 2 . 2 36 36 ILE CD1 C 13 13.074 . . . . . . . . 36 I CD1 . 51044 2 37 . 2 . 2 38 38 ILE HD11 H 1 0.704 . . . . . . . . 38 I QD1 . 51044 2 38 . 2 . 2 38 38 ILE HD12 H 1 0.704 . . . . . . . . 38 I QD1 . 51044 2 39 . 2 . 2 38 38 ILE HD13 H 1 0.704 . . . . . . . . 38 I QD1 . 51044 2 40 . 2 . 2 38 38 ILE CD1 C 13 15.768 . . . . . . . . 38 I CD1 . 51044 2 41 . 2 . 2 40 40 LEU HD11 H 1 0.648 . . . . . . . . 40 L QD1 . 51044 2 42 . 2 . 2 40 40 LEU HD12 H 1 0.648 . . . . . . . . 40 L QD1 . 51044 2 43 . 2 . 2 40 40 LEU HD13 H 1 0.648 . . . . . . . . 40 L QD1 . 51044 2 44 . 2 . 2 40 40 LEU HD21 H 1 0.712 . . . . . . . . 40 L QD2 . 51044 2 45 . 2 . 2 40 40 LEU HD22 H 1 0.712 . . . . . . . . 40 L QD2 . 51044 2 46 . 2 . 2 40 40 LEU HD23 H 1 0.712 . . . . . . . . 40 L QD2 . 51044 2 47 . 2 . 2 40 40 LEU CD1 C 13 26.087 . . . . . . . . 40 L CD1 . 51044 2 48 . 2 . 2 40 40 LEU CD2 C 13 24.665 . . . . . . . . 40 L CD2 . 51044 2 49 . 2 . 2 41 41 LEU HD11 H 1 0.577 . . . . . . . . 41 L QD1 . 51044 2 50 . 2 . 2 41 41 LEU HD12 H 1 0.577 . . . . . . . . 41 L QD1 . 51044 2 51 . 2 . 2 41 41 LEU HD13 H 1 0.577 . . . . . . . . 41 L QD1 . 51044 2 52 . 2 . 2 41 41 LEU HD21 H 1 0.421 . . . . . . . . 41 L QD2 . 51044 2 53 . 2 . 2 41 41 LEU HD22 H 1 0.421 . . . . . . . . 41 L QD2 . 51044 2 54 . 2 . 2 41 41 LEU HD23 H 1 0.421 . . . . . . . . 41 L QD2 . 51044 2 55 . 2 . 2 41 41 LEU CD1 C 13 25.666 . . . . . . . . 41 L CD1 . 51044 2 56 . 2 . 2 41 41 LEU CD2 C 13 23.097 . . . . . . . . 41 L CD2 . 51044 2 57 . 2 . 2 47 47 ILE HD11 H 1 0.754 . . . . . . . . 47 I QD1 . 51044 2 58 . 2 . 2 47 47 ILE HD12 H 1 0.754 . . . . . . . . 47 I QD1 . 51044 2 59 . 2 . 2 47 47 ILE HD13 H 1 0.754 . . . . . . . . 47 I QD1 . 51044 2 60 . 2 . 2 47 47 ILE CD1 C 13 13.172 . . . . . . . . 47 I CD1 . 51044 2 61 . 2 . 2 54 54 LEU HD11 H 1 0.448 . . . . . . . . 54 L QD1 . 51044 2 62 . 2 . 2 54 54 LEU HD12 H 1 0.448 . . . . . . . . 54 L QD1 . 51044 2 63 . 2 . 2 54 54 LEU HD13 H 1 0.448 . . . . . . . . 54 L QD1 . 51044 2 64 . 2 . 2 54 54 LEU HD21 H 1 0.570 . . . . . . . . 54 L QD2 . 51044 2 65 . 2 . 2 54 54 LEU HD22 H 1 0.570 . . . . . . . . 54 L QD2 . 51044 2 66 . 2 . 2 54 54 LEU HD23 H 1 0.570 . . . . . . . . 54 L QD2 . 51044 2 67 . 2 . 2 54 54 LEU CD1 C 13 23.209 . . . . . . . . 54 L CD1 . 51044 2 68 . 2 . 2 54 54 LEU CD2 C 13 25.187 . . . . . . . . 54 L CD2 . 51044 2 69 . 2 . 2 64 64 LEU HD11 H 1 0.863 . . . . . . . . 64 L QD1 . 51044 2 70 . 2 . 2 64 64 LEU HD12 H 1 0.863 . . . . . . . . 64 L QD1 . 51044 2 71 . 2 . 2 64 64 LEU HD13 H 1 0.863 . . . . . . . . 64 L QD1 . 51044 2 72 . 2 . 2 64 64 LEU HD21 H 1 0.966 . . . . . . . . 64 L QD2 . 51044 2 73 . 2 . 2 64 64 LEU HD22 H 1 0.966 . . . . . . . . 64 L QD2 . 51044 2 74 . 2 . 2 64 64 LEU HD23 H 1 0.966 . . . . . . . . 64 L QD2 . 51044 2 75 . 2 . 2 64 64 LEU CD1 C 13 27.219 . . . . . . . . 64 L CD1 . 51044 2 76 . 2 . 2 64 64 LEU CD2 C 13 26.015 . . . . . . . . 64 L CD2 . 51044 2 77 . 2 . 2 65 65 LEU HD11 H 1 0.919 . . . . . . . . 65 L QD1 . 51044 2 78 . 2 . 2 65 65 LEU HD12 H 1 0.919 . . . . . . . . 65 L QD1 . 51044 2 79 . 2 . 2 65 65 LEU HD13 H 1 0.919 . . . . . . . . 65 L QD1 . 51044 2 80 . 2 . 2 65 65 LEU HD21 H 1 0.657 . . . . . . . . 65 L QD2 . 51044 2 81 . 2 . 2 65 65 LEU HD22 H 1 0.657 . . . . . . . . 65 L QD2 . 51044 2 82 . 2 . 2 65 65 LEU HD23 H 1 0.657 . . . . . . . . 65 L QD2 . 51044 2 83 . 2 . 2 65 65 LEU CD1 C 13 23.389 . . . . . . . . 65 L CD1 . 51044 2 84 . 2 . 2 65 65 LEU CD2 C 13 25.282 . . . . . . . . 65 L CD2 . 51044 2 85 . 2 . 2 68 68 ALA HB1 H 1 1.245 . . . . . . . . 68 A HB# . 51044 2 86 . 2 . 2 68 68 ALA HB2 H 1 1.245 . . . . . . . . 68 A HB# . 51044 2 87 . 2 . 2 68 68 ALA HB3 H 1 1.245 . . . . . . . . 68 A HB# . 51044 2 88 . 2 . 2 82 82 VAL HG11 H 1 0.594 . . . . . . . . 82 V QG1 . 51044 2 89 . 2 . 2 82 82 VAL HG12 H 1 0.594 . . . . . . . . 82 V QG1 . 51044 2 90 . 2 . 2 82 82 VAL HG13 H 1 0.594 . . . . . . . . 82 V QG1 . 51044 2 91 . 2 . 2 82 82 VAL HG21 H 1 0.706 . . . . . . . . 82 V QG2 . 51044 2 92 . 2 . 2 82 82 VAL HG22 H 1 0.706 . . . . . . . . 82 V QG2 . 51044 2 93 . 2 . 2 82 82 VAL HG23 H 1 0.706 . . . . . . . . 82 V QG2 . 51044 2 94 . 2 . 2 82 82 VAL CG1 C 13 21.804 . . . . . . . . 82 V CG1 . 51044 2 95 . 2 . 2 82 82 VAL CG2 C 13 23.461 . . . . . . . . 82 V CG2 . 51044 2 96 . 2 . 2 85 85 VAL HG11 H 1 0.776 . . . . . . . . 85 V QG1 . 51044 2 97 . 2 . 2 85 85 VAL HG12 H 1 0.776 . . . . . . . . 85 V QG1 . 51044 2 98 . 2 . 2 85 85 VAL HG13 H 1 0.776 . . . . . . . . 85 V QG1 . 51044 2 99 . 2 . 2 85 85 VAL HG21 H 1 0.514 . . . . . . . . 85 V QG2 . 51044 2 100 . 2 . 2 85 85 VAL HG22 H 1 0.514 . . . . . . . . 85 V QG2 . 51044 2 101 . 2 . 2 85 85 VAL HG23 H 1 0.514 . . . . . . . . 85 V QG2 . 51044 2 102 . 2 . 2 85 85 VAL CG1 C 13 20.377 . . . . . . . . 85 V CG1 . 51044 2 103 . 2 . 2 85 85 VAL CG2 C 13 19.382 . . . . . . . . 85 V CG2 . 51044 2 104 . 2 . 2 87 87 LEU HD11 H 1 0.897 . . . . . . . . 87 L QD1 . 51044 2 105 . 2 . 2 87 87 LEU HD12 H 1 0.897 . . . . . . . . 87 L QD1 . 51044 2 106 . 2 . 2 87 87 LEU HD13 H 1 0.897 . . . . . . . . 87 L QD1 . 51044 2 107 . 2 . 2 87 87 LEU HD21 H 1 0.833 . . . . . . . . 87 L QD2 . 51044 2 108 . 2 . 2 87 87 LEU HD22 H 1 0.833 . . . . . . . . 87 L QD2 . 51044 2 109 . 2 . 2 87 87 LEU HD23 H 1 0.833 . . . . . . . . 87 L QD2 . 51044 2 110 . 2 . 2 87 87 LEU CD1 C 13 22.946 . . . . . . . . 87 L CD1 . 51044 2 111 . 2 . 2 87 87 LEU CD2 C 13 26.314 . . . . . . . . 87 L CD2 . 51044 2 112 . 2 . 2 92 92 ILE HD11 H 1 0.779 . . . . . . . . 92 I QD1 . 51044 2 113 . 2 . 2 92 92 ILE HD12 H 1 0.779 . . . . . . . . 92 I QD1 . 51044 2 114 . 2 . 2 92 92 ILE HD13 H 1 0.779 . . . . . . . . 92 I QD1 . 51044 2 115 . 2 . 2 92 92 ILE CD1 C 13 12.072 . . . . . . . . 92 I CD1 . 51044 2 116 . 2 . 2 93 93 VAL HG11 H 1 1.178 . . . . . . . . 93 V QG1 . 51044 2 117 . 2 . 2 93 93 VAL HG12 H 1 1.178 . . . . . . . . 93 V QG1 . 51044 2 118 . 2 . 2 93 93 VAL HG13 H 1 1.178 . . . . . . . . 93 V QG1 . 51044 2 119 . 2 . 2 93 93 VAL HG21 H 1 0.856 . . . . . . . . 93 V QG2 . 51044 2 120 . 2 . 2 93 93 VAL HG22 H 1 0.856 . . . . . . . . 93 V QG2 . 51044 2 121 . 2 . 2 93 93 VAL HG23 H 1 0.856 . . . . . . . . 93 V QG2 . 51044 2 122 . 2 . 2 93 93 VAL CG1 C 13 21.700 . . . . . . . . 93 V CG1 . 51044 2 123 . 2 . 2 93 93 VAL CG2 C 13 21.154 . . . . . . . . 93 V CG2 . 51044 2 stop_ save_