################################### # 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 53136 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name MethylNetworkDataset_U-13C_BAP1-UCH_L14V _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' . . . 53136 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 . . 53136 1 2 $software_3 . . 53136 1 3 $software_2 . . 53136 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 9 9 LEU HD11 H 1 0.837 . . . . . . . . 6 L HD1 . 53136 1 2 . 1 . 1 9 9 LEU HD12 H 1 0.837 . . . . . . . . 6 L HD1 . 53136 1 3 . 1 . 1 9 9 LEU HD13 H 1 0.837 . . . . . . . . 6 L HD1 . 53136 1 4 . 1 . 1 9 9 LEU CD1 C 13 25.565 . . . . . . . . 6 L CD1 . 53136 1 5 . 1 . 1 11 11 LEU HD11 H 1 0.309 . . . . . . . . 8 L HD1 . 53136 1 6 . 1 . 1 11 11 LEU HD12 H 1 0.309 . . . . . . . . 8 L HD1 . 53136 1 7 . 1 . 1 11 11 LEU HD13 H 1 0.309 . . . . . . . . 8 L HD1 . 53136 1 8 . 1 . 1 11 11 LEU CD1 C 13 24.741 . . . . . . . . 8 L CD1 . 53136 1 9 . 1 . 1 17 17 LEU HD11 H 1 0.979 . . . . . . . . 14 L HD1 . 53136 1 10 . 1 . 1 17 17 LEU HD12 H 1 0.979 . . . . . . . . 14 L HD1 . 53136 1 11 . 1 . 1 17 17 LEU HD13 H 1 0.979 . . . . . . . . 14 L HD1 . 53136 1 12 . 1 . 1 17 17 LEU CD1 C 13 26.003 . . . . . . . . 14 L CD1 . 53136 1 13 . 1 . 1 19 19 THR HG21 H 1 1.302 . . . . . . . . 16 T HG2 . 53136 1 14 . 1 . 1 19 19 THR HG22 H 1 1.302 . . . . . . . . 16 T HG2 . 53136 1 15 . 1 . 1 19 19 THR HG23 H 1 1.302 . . . . . . . . 16 T HG2 . 53136 1 16 . 1 . 1 19 19 THR CG2 C 13 21.721 . . . . . . . . 16 T CG2 . 53136 1 17 . 1 . 1 35 35 ILE HD11 H 1 0.630 . . . . . . . . 32 I HD1 . 53136 1 18 . 1 . 1 35 35 ILE HD12 H 1 0.630 . . . . . . . . 32 I HD1 . 53136 1 19 . 1 . 1 35 35 ILE HD13 H 1 0.630 . . . . . . . . 32 I HD1 . 53136 1 20 . 1 . 1 35 35 ILE CD1 C 13 10.959 . . . . . . . . 32 I CD1 . 53136 1 21 . 1 . 1 38 38 LEU HD11 H 1 0.707 . . . . . . . . 35 L HD1 . 53136 1 22 . 1 . 1 38 38 LEU HD12 H 1 0.707 . . . . . . . . 35 L HD1 . 53136 1 23 . 1 . 1 38 38 LEU HD13 H 1 0.707 . . . . . . . . 35 L HD1 . 53136 1 24 . 1 . 1 38 38 LEU CD1 C 13 25.067 . . . . . . . . 35 L CD1 . 53136 1 25 . 1 . 1 50 50 ILE HG21 H 1 0.975 . . . . . . . . 47 I HG2 . 53136 1 26 . 1 . 1 50 50 ILE HG22 H 1 0.975 . . . . . . . . 47 I HG2 . 53136 1 27 . 1 . 1 50 50 ILE HG23 H 1 0.975 . . . . . . . . 47 I HG2 . 53136 1 28 . 1 . 1 50 50 ILE CG2 C 13 18.153 . . . . . . . . 47 I CG2 . 53136 1 29 . 1 . 1 52 52 LEU HD11 H 1 0.034 . . . . . . . . 49 L HD1 . 53136 1 30 . 1 . 1 52 52 LEU HD12 H 1 0.034 . . . . . . . . 49 L HD1 . 53136 1 31 . 1 . 1 52 52 LEU HD13 H 1 0.034 . . . . . . . . 49 L HD1 . 53136 1 32 . 1 . 1 52 52 LEU CD1 C 13 24.719 . . . . . . . . 49 L CD1 . 53136 1 33 . 1 . 1 56 56 ILE HD11 H 1 0.782 . . . . . . . . 53 I HD1 . 53136 1 34 . 1 . 1 56 56 ILE HD12 H 1 0.782 . . . . . . . . 53 I HD1 . 53136 1 35 . 1 . 1 56 56 ILE HD13 H 1 0.782 . . . . . . . . 53 I HD1 . 53136 1 36 . 1 . 1 56 56 ILE CD1 C 13 12.484 . . . . . . . . 53 I CD1 . 53136 1 37 . 1 . 1 75 75 ILE HD11 H 1 0.672 . . . . . . . . 72 I HD1 . 53136 1 38 . 1 . 1 75 75 ILE HD12 H 1 0.672 . . . . . . . . 72 I HD1 . 53136 1 39 . 1 . 1 75 75 ILE HD13 H 1 0.672 . . . . . . . . 72 I HD1 . 53136 1 40 . 1 . 1 75 75 ILE CD1 C 13 13.300 . . . . . . . . 72 I CD1 . 53136 1 41 . 1 . 1 79 79 ILE HD11 H 1 0.856 . . . . . . . . 76 I HD1 . 53136 1 42 . 1 . 1 79 79 ILE HD12 H 1 0.856 . . . . . . . . 76 I HD1 . 53136 1 43 . 1 . 1 79 79 ILE HD13 H 1 0.856 . . . . . . . . 76 I HD1 . 53136 1 44 . 1 . 1 79 79 ILE CD1 C 13 12.497 . . . . . . . . 76 I CD1 . 53136 1 45 . 1 . 1 80 80 VAL HG21 H 1 0.982 . . . . . . . . 77 V HG2 . 53136 1 46 . 1 . 1 80 80 VAL HG22 H 1 0.982 . . . . . . . . 77 V HG2 . 53136 1 47 . 1 . 1 80 80 VAL HG23 H 1 0.982 . . . . . . . . 77 V HG2 . 53136 1 48 . 1 . 1 80 80 VAL CG2 C 13 23.797 . . . . . . . . 77 V CG2 . 53136 1 49 . 1 . 1 83 83 MET HE1 H 1 1.204 . . . . . . . . 80 M HE . 53136 1 50 . 1 . 1 83 83 MET HE2 H 1 1.204 . . . . . . . . 80 M HE . 53136 1 51 . 1 . 1 83 83 MET HE3 H 1 1.204 . . . . . . . . 80 M HE . 53136 1 52 . 1 . 1 83 83 MET CE C 13 15.785 . . . . . . . . 80 M CE . 53136 1 53 . 1 . 1 89 89 LEU HD11 H 1 0.456 . . . . . . . . 86 L HD1 . 53136 1 54 . 1 . 1 89 89 LEU HD12 H 1 0.456 . . . . . . . . 86 L HD1 . 53136 1 55 . 1 . 1 89 89 LEU HD13 H 1 0.456 . . . . . . . . 86 L HD1 . 53136 1 56 . 1 . 1 89 89 LEU CD1 C 13 24.937 . . . . . . . . 86 L CD1 . 53136 1 57 . 1 . 1 90 90 ILE HD11 H 1 0.507 . . . . . . . . 87 I HD1 . 53136 1 58 . 1 . 1 90 90 ILE HD12 H 1 0.507 . . . . . . . . 87 I HD1 . 53136 1 59 . 1 . 1 90 90 ILE HD13 H 1 0.507 . . . . . . . . 87 I HD1 . 53136 1 60 . 1 . 1 90 90 ILE CD1 C 13 11.883 . . . . . . . . 87 I CD1 . 53136 1 61 . 1 . 1 95 95 ALA HB1 H 1 1.091 . . . . . . . . 92 A HB . 53136 1 62 . 1 . 1 95 95 ALA HB2 H 1 1.091 . . . . . . . . 92 A HB . 53136 1 63 . 1 . 1 95 95 ALA HB3 H 1 1.091 . . . . . . . . 92 A HB . 53136 1 64 . 1 . 1 95 95 ALA CB C 13 18.555 . . . . . . . . 92 A CB . 53136 1 65 . 1 . 1 96 96 THR HG21 H 1 1.326 . . . . . . . . 93 T HG2 . 53136 1 66 . 1 . 1 96 96 THR HG22 H 1 1.326 . . . . . . . . 93 T HG2 . 53136 1 67 . 1 . 1 96 96 THR HG23 H 1 1.326 . . . . . . . . 93 T HG2 . 53136 1 68 . 1 . 1 96 96 THR CG2 C 13 22.822 . . . . . . . . 93 T CG2 . 53136 1 69 . 1 . 1 98 98 ALA HB1 H 1 1.496 . . . . . . . . 95 A HB . 53136 1 70 . 1 . 1 98 98 ALA HB2 H 1 1.496 . . . . . . . . 95 A HB . 53136 1 71 . 1 . 1 98 98 ALA HB3 H 1 1.496 . . . . . . . . 95 A HB . 53136 1 72 . 1 . 1 98 98 ALA CB C 13 18.370 . . . . . . . . 95 A CB . 53136 1 73 . 1 . 1 100 100 LEU HD21 H 1 0.387 . . . . . . . . 97 L HD2 . 53136 1 74 . 1 . 1 100 100 LEU HD22 H 1 0.387 . . . . . . . . 97 L HD2 . 53136 1 75 . 1 . 1 100 100 LEU HD23 H 1 0.387 . . . . . . . . 97 L HD2 . 53136 1 76 . 1 . 1 100 100 LEU CD2 C 13 23.604 . . . . . . . . 97 L CD2 . 53136 1 77 . 1 . 1 104 104 LEU HD11 H 1 -0.162 . . . . . . . . 101 L HD1 . 53136 1 78 . 1 . 1 104 104 LEU HD12 H 1 -0.162 . . . . . . . . 101 L HD1 . 53136 1 79 . 1 . 1 104 104 LEU HD13 H 1 -0.162 . . . . . . . . 101 L HD1 . 53136 1 80 . 1 . 1 104 104 LEU CD1 C 13 24.440 . . . . . . . . 101 L CD1 . 53136 1 81 . 1 . 1 109 109 VAL HG11 H 1 0.444 . . . . . . . . 106 V HG1 . 53136 1 82 . 1 . 1 109 109 VAL HG12 H 1 0.444 . . . . . . . . 106 V HG1 . 53136 1 83 . 1 . 1 109 109 VAL HG13 H 1 0.444 . . . . . . . . 106 V HG1 . 53136 1 84 . 1 . 1 109 109 VAL CG1 C 13 22.137 . . . . . . . . 106 V CG1 . 53136 1 85 . 1 . 1 111 111 LEU HD11 H 1 0.682 . . . . . . . . 108 L HD1 . 53136 1 86 . 1 . 1 111 111 LEU HD12 H 1 0.682 . . . . . . . . 108 L HD1 . 53136 1 87 . 1 . 1 111 111 LEU HD13 H 1 0.682 . . . . . . . . 108 L HD1 . 53136 1 88 . 1 . 1 111 111 LEU CD1 C 13 25.846 . . . . . . . . 108 L CD1 . 53136 1 89 . 1 . 1 115 115 LEU HD21 H 1 0.479 . . . . . . . . 112 L HD2 . 53136 1 90 . 1 . 1 115 115 LEU HD22 H 1 0.479 . . . . . . . . 112 L HD2 . 53136 1 91 . 1 . 1 115 115 LEU HD23 H 1 0.479 . . . . . . . . 112 L HD2 . 53136 1 92 . 1 . 1 115 115 LEU CD2 C 13 23.100 . . . . . . . . 112 L CD2 . 53136 1 93 . 1 . 1 118 118 MET HE1 H 1 1.807 . . . . . . . . 115 M HE . 53136 1 94 . 1 . 1 118 118 MET HE2 H 1 1.807 . . . . . . . . 115 M HE . 53136 1 95 . 1 . 1 118 118 MET HE3 H 1 1.807 . . . . . . . . 115 M HE . 53136 1 96 . 1 . 1 118 118 MET CE C 13 17.360 . . . . . . . . 115 M CE . 53136 1 97 . 1 . 1 133 133 ALA HB1 H 1 1.677 . . . . . . . . 130 A HB . 53136 1 98 . 1 . 1 133 133 ALA HB2 H 1 1.677 . . . . . . . . 130 A HB . 53136 1 99 . 1 . 1 133 133 ALA HB3 H 1 1.677 . . . . . . . . 130 A HB . 53136 1 100 . 1 . 1 133 133 ALA CB C 13 17.848 . . . . . . . . 130 A CB . 53136 1 101 . 1 . 1 134 134 ILE HD11 H 1 0.628 . . . . . . . . 131 I HD1 . 53136 1 102 . 1 . 1 134 134 ILE HD12 H 1 0.628 . . . . . . . . 131 I HD1 . 53136 1 103 . 1 . 1 134 134 ILE HD13 H 1 0.628 . . . . . . . . 131 I HD1 . 53136 1 104 . 1 . 1 134 134 ILE CD1 C 13 14.460 . . . . . . . . 131 I CD1 . 53136 1 105 . 1 . 1 140 140 LEU HD21 H 1 0.259 . . . . . . . . 137 L HD2 . 53136 1 106 . 1 . 1 140 140 LEU HD22 H 1 0.259 . . . . . . . . 137 L HD2 . 53136 1 107 . 1 . 1 140 140 LEU HD23 H 1 0.259 . . . . . . . . 137 L HD2 . 53136 1 108 . 1 . 1 140 140 LEU CD2 C 13 21.930 . . . . . . . . 137 L CD2 . 53136 1 109 . 1 . 1 143 143 ALA HB1 H 1 1.590 . . . . . . . . 140 A HB . 53136 1 110 . 1 . 1 143 143 ALA HB2 H 1 1.590 . . . . . . . . 140 A HB . 53136 1 111 . 1 . 1 143 143 ALA HB3 H 1 1.590 . . . . . . . . 140 A HB . 53136 1 112 . 1 . 1 143 143 ALA CB C 13 18.787 . . . . . . . . 140 A CB . 53136 1 113 . 1 . 1 148 148 ALA HB1 H 1 1.388 . . . . . . . . 145 A HB . 53136 1 114 . 1 . 1 148 148 ALA HB2 H 1 1.388 . . . . . . . . 145 A HB . 53136 1 115 . 1 . 1 148 148 ALA HB3 H 1 1.388 . . . . . . . . 145 A HB . 53136 1 116 . 1 . 1 148 148 ALA CB C 13 20.999 . . . . . . . . 145 A CB . 53136 1 117 . 1 . 1 164 164 ALA HB1 H 1 1.335 . . . . . . . . 161 A HB . 53136 1 118 . 1 . 1 164 164 ALA HB2 H 1 1.335 . . . . . . . . 161 A HB . 53136 1 119 . 1 . 1 164 164 ALA HB3 H 1 1.335 . . . . . . . . 161 A HB . 53136 1 120 . 1 . 1 164 164 ALA CB C 13 19.277 . . . . . . . . 161 A CB . 53136 1 121 . 1 . 1 174 174 VAL HG11 H 1 1.036 . . . . . . . . 171 V HG1 . 53136 1 122 . 1 . 1 174 174 VAL HG12 H 1 1.036 . . . . . . . . 171 V HG1 . 53136 1 123 . 1 . 1 174 174 VAL HG13 H 1 1.036 . . . . . . . . 171 V HG1 . 53136 1 124 . 1 . 1 174 174 VAL CG1 C 13 22.899 . . . . . . . . 171 V CG1 . 53136 1 125 . 1 . 1 177 177 VAL HG21 H 1 0.991 . . . . . . . . 174 V HG2 . 53136 1 126 . 1 . 1 177 177 VAL HG22 H 1 0.991 . . . . . . . . 174 V HG2 . 53136 1 127 . 1 . 1 177 177 VAL HG23 H 1 0.991 . . . . . . . . 174 V HG2 . 53136 1 128 . 1 . 1 177 177 VAL CG2 C 13 20.431 . . . . . . . . 174 V CG2 . 53136 1 129 . 1 . 1 179 179 ILE HD11 H 1 0.552 . . . . . . . . 176 I HD1 . 53136 1 130 . 1 . 1 179 179 ILE HD12 H 1 0.552 . . . . . . . . 176 I HD1 . 53136 1 131 . 1 . 1 179 179 ILE HD13 H 1 0.552 . . . . . . . . 176 I HD1 . 53136 1 132 . 1 . 1 179 179 ILE CD1 C 13 13.045 . . . . . . . . 176 I CD1 . 53136 1 133 . 1 . 1 180 180 THR HG21 H 1 1.213 . . . . . . . . 177 T HG2 . 53136 1 134 . 1 . 1 180 180 THR HG22 H 1 1.213 . . . . . . . . 177 T HG2 . 53136 1 135 . 1 . 1 180 180 THR HG23 H 1 1.213 . . . . . . . . 177 T HG2 . 53136 1 136 . 1 . 1 180 180 THR CG2 C 13 22.243 . . . . . . . . 177 T CG2 . 53136 1 137 . 1 . 1 183 183 LEU HD11 H 1 1.253 . . . . . . . . 180 L HD1 . 53136 1 138 . 1 . 1 183 183 LEU HD12 H 1 1.253 . . . . . . . . 180 L HD1 . 53136 1 139 . 1 . 1 183 183 LEU HD13 H 1 1.253 . . . . . . . . 180 L HD1 . 53136 1 140 . 1 . 1 183 183 LEU CD1 C 13 25.237 . . . . . . . . 180 L CD1 . 53136 1 141 . 1 . 1 186 186 LEU HD11 H 1 1.023 . . . . . . . . 183 L HD1 . 53136 1 142 . 1 . 1 186 186 LEU HD12 H 1 1.023 . . . . . . . . 183 L HD1 . 53136 1 143 . 1 . 1 186 186 LEU HD13 H 1 1.023 . . . . . . . . 183 L HD1 . 53136 1 144 . 1 . 1 186 186 LEU CD1 C 13 26.627 . . . . . . . . 183 L CD1 . 53136 1 145 . 1 . 1 191 191 VAL HG11 H 1 0.299 . . . . . . . . 188 V HG1 . 53136 1 146 . 1 . 1 191 191 VAL HG12 H 1 0.299 . . . . . . . . 188 V HG1 . 53136 1 147 . 1 . 1 191 191 VAL HG13 H 1 0.299 . . . . . . . . 188 V HG1 . 53136 1 148 . 1 . 1 191 191 VAL CG1 C 13 21.510 . . . . . . . . 188 V CG1 . 53136 1 149 . 1 . 1 194 194 ILE HD11 H 1 0.795 . . . . . . . . 191 I HD1 . 53136 1 150 . 1 . 1 194 194 ILE HD12 H 1 0.795 . . . . . . . . 191 I HD1 . 53136 1 151 . 1 . 1 194 194 ILE HD13 H 1 0.795 . . . . . . . . 191 I HD1 . 53136 1 152 . 1 . 1 194 194 ILE CD1 C 13 14.051 . . . . . . . . 191 I CD1 . 53136 1 153 . 1 . 1 206 206 THR HG21 H 1 -0.441 . . . . . . . . 203 T HG2 . 53136 1 154 . 1 . 1 206 206 THR HG22 H 1 -0.441 . . . . . . . . 203 T HG2 . 53136 1 155 . 1 . 1 206 206 THR HG23 H 1 -0.441 . . . . . . . . 203 T HG2 . 53136 1 156 . 1 . 1 206 206 THR CG2 C 13 19.820 . . . . . . . . 203 T CG2 . 53136 1 157 . 1 . 1 209 209 ALA HB1 H 1 1.172 . . . . . . . . 206 A HB . 53136 1 158 . 1 . 1 209 209 ALA HB2 H 1 1.172 . . . . . . . . 206 A HB . 53136 1 159 . 1 . 1 209 209 ALA HB3 H 1 1.172 . . . . . . . . 206 A HB . 53136 1 160 . 1 . 1 209 209 ALA CB C 13 18.507 . . . . . . . . 206 A CB . 53136 1 161 . 1 . 1 212 212 VAL HG11 H 1 0.366 . . . . . . . . 209 V HG1 . 53136 1 162 . 1 . 1 212 212 VAL HG12 H 1 0.366 . . . . . . . . 209 V HG1 . 53136 1 163 . 1 . 1 212 212 VAL HG13 H 1 0.366 . . . . . . . . 209 V HG1 . 53136 1 164 . 1 . 1 212 212 VAL CG1 C 13 20.781 . . . . . . . . 209 V CG1 . 53136 1 165 . 1 . 1 213 213 ILE HD11 H 1 -0.123 . . . . . . . . 210 I HD1 . 53136 1 166 . 1 . 1 213 213 ILE HD12 H 1 -0.123 . . . . . . . . 210 I HD1 . 53136 1 167 . 1 . 1 213 213 ILE HD13 H 1 -0.123 . . . . . . . . 210 I HD1 . 53136 1 168 . 1 . 1 213 213 ILE CD1 C 13 13.854 . . . . . . . . 210 I CD1 . 53136 1 169 . 1 . 1 214 214 MET HE1 H 1 1.805 . . . . . . . . 211 M HE . 53136 1 170 . 1 . 1 214 214 MET HE2 H 1 1.805 . . . . . . . . 211 M HE . 53136 1 171 . 1 . 1 214 214 MET HE3 H 1 1.805 . . . . . . . . 211 M HE . 53136 1 172 . 1 . 1 214 214 MET CE C 13 16.745 . . . . . . . . 211 M CE . 53136 1 173 . 1 . 1 217 217 ILE HD11 H 1 0.145 . . . . . . . . 214 I HD1 . 53136 1 174 . 1 . 1 217 217 ILE HD12 H 1 0.145 . . . . . . . . 214 I HD1 . 53136 1 175 . 1 . 1 217 217 ILE HD13 H 1 0.145 . . . . . . . . 214 I HD1 . 53136 1 176 . 1 . 1 217 217 ILE CD1 C 13 14.496 . . . . . . . . 214 I CD1 . 53136 1 177 . 1 . 1 219 219 LEU HD11 H 1 0.806 . . . . . . . . 216 L HD1 . 53136 1 178 . 1 . 1 219 219 LEU HD12 H 1 0.806 . . . . . . . . 216 L HD1 . 53136 1 179 . 1 . 1 219 219 LEU HD13 H 1 0.806 . . . . . . . . 216 L HD1 . 53136 1 180 . 1 . 1 219 219 LEU CD1 C 13 24.776 . . . . . . . . 216 L CD1 . 53136 1 181 . 1 . 1 222 222 ALA HB1 H 1 1.421 . . . . . . . . 219 A HB . 53136 1 182 . 1 . 1 222 222 ALA HB2 H 1 1.421 . . . . . . . . 219 A HB . 53136 1 183 . 1 . 1 222 222 ALA HB3 H 1 1.421 . . . . . . . . 219 A HB . 53136 1 184 . 1 . 1 222 222 ALA CB C 13 19.165 . . . . . . . . 219 A CB . 53136 1 185 . 1 . 1 229 229 ILE HG21 H 1 0.926 . . . . . . . . 226 I HG2 . 53136 1 186 . 1 . 1 229 229 ILE HG22 H 1 0.926 . . . . . . . . 226 I HG2 . 53136 1 187 . 1 . 1 229 229 ILE HG23 H 1 0.926 . . . . . . . . 226 I HG2 . 53136 1 188 . 1 . 1 229 229 ILE CG2 C 13 17.033 . . . . . . . . 226 I CG2 . 53136 1 189 . 1 . 1 233 233 LEU HD21 H 1 0.230 . . . . . . . . 230 L HD2 . 53136 1 190 . 1 . 1 233 233 LEU HD22 H 1 0.230 . . . . . . . . 230 L HD2 . 53136 1 191 . 1 . 1 233 233 LEU HD23 H 1 0.230 . . . . . . . . 230 L HD2 . 53136 1 192 . 1 . 1 233 233 LEU CD2 C 13 25.732 . . . . . . . . 230 L CD2 . 53136 1 193 . 1 . 1 234 234 MET HE1 H 1 1.790 . . . . . . . . 231 M HE . 53136 1 194 . 1 . 1 234 234 MET HE2 H 1 1.790 . . . . . . . . 231 M HE . 53136 1 195 . 1 . 1 234 234 MET HE3 H 1 1.790 . . . . . . . . 231 M HE . 53136 1 196 . 1 . 1 234 234 MET CE C 13 17.833 . . . . . . . . 231 M CE . 53136 1 197 . 1 . 1 235 235 ALA HB1 H 1 1.389 . . . . . . . . 232 A HB . 53136 1 198 . 1 . 1 235 235 ALA HB2 H 1 1.389 . . . . . . . . 232 A HB . 53136 1 199 . 1 . 1 235 235 ALA HB3 H 1 1.389 . . . . . . . . 232 A HB . 53136 1 200 . 1 . 1 235 235 ALA CB C 13 21.943 . . . . . . . . 232 A CB . 53136 1 stop_ save_