################################### # 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 31088 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H NOESY' . . . 31088 1 2 '2D 1H-1H TOCSY' . . . 31088 1 3 '2D 1H-13C HSQC' . . . 31088 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 1 1 LEU HA H 1 4.027 0.0 . 1 . . 141 . A 1 LEU HA . 31088 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.589 0.0 . 1 . . 146 . A 1 LEU HB2 . 31088 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.589 0.0 . 1 . . 147 . A 1 LEU HB3 . 31088 1 4 . 1 . 1 1 1 LEU HD11 H 1 1.026 0.0 . 2 . . 142 . A 1 LEU HD11 . 31088 1 5 . 1 . 1 1 1 LEU HD12 H 1 1.026 0.0 . 2 . . 142 . A 1 LEU HD12 . 31088 1 6 . 1 . 1 1 1 LEU HD13 H 1 1.026 0.0 . 2 . . 142 . A 1 LEU HD13 . 31088 1 7 . 1 . 1 1 1 LEU HD21 H 1 1.026 0.0 . 2 . . 143 . A 1 LEU HD21 . 31088 1 8 . 1 . 1 1 1 LEU HD22 H 1 1.026 0.0 . 2 . . 143 . A 1 LEU HD22 . 31088 1 9 . 1 . 1 1 1 LEU HD23 H 1 1.026 0.0 . 2 . . 143 . A 1 LEU HD23 . 31088 1 10 . 1 . 1 1 1 LEU CB C 13 41.802 . . 1 . . 148 . A 1 LEU CB . 31088 1 11 . 1 . 1 1 1 LEU CD1 C 13 24.514 . . 1 . . 144 . A 1 LEU CD1 . 31088 1 12 . 1 . 1 1 1 LEU CD2 C 13 24.514 . . 1 . . 145 . A 1 LEU CD2 . 31088 1 13 . 1 . 1 2 2 LEU H H 1 7.681 0.0 . 1 . . 93 . A 2 LEU H . 31088 1 14 . 1 . 1 2 2 LEU HA H 1 4.129 0.0 . 1 . . 94 . A 2 LEU HA . 31088 1 15 . 1 . 1 2 2 LEU HD11 H 1 0.967 0.0 . 2 . . 96 . A 2 LEU HD11 . 31088 1 16 . 1 . 1 2 2 LEU HD12 H 1 0.967 0.0 . 2 . . 96 . A 2 LEU HD12 . 31088 1 17 . 1 . 1 2 2 LEU HD13 H 1 0.967 0.0 . 2 . . 96 . A 2 LEU HD13 . 31088 1 18 . 1 . 1 2 2 LEU HD21 H 1 0.967 0.0 . 2 . . 97 . A 2 LEU HD21 . 31088 1 19 . 1 . 1 2 2 LEU HD22 H 1 0.967 0.0 . 2 . . 97 . A 2 LEU HD22 . 31088 1 20 . 1 . 1 2 2 LEU HD23 H 1 0.967 0.0 . 2 . . 97 . A 2 LEU HD23 . 31088 1 21 . 1 . 1 2 2 LEU CA C 13 57.804 . . 1 . . 95 . A 2 LEU CA . 31088 1 22 . 1 . 1 2 2 LEU CD1 C 13 25.075 . . 1 . . 110 . A 2 LEU CD1 . 31088 1 23 . 1 . 1 2 2 LEU CD2 C 13 25.075 . . 1 . . 111 . A 2 LEU CD2 . 31088 1 24 . 1 . 1 3 3 LYS H H 1 7.938 0.0 . 1 . . 74 . A 3 LYS H . 31088 1 25 . 1 . 1 3 3 LYS HA H 1 4.165 0.0 . 1 . . 73 . A 3 LYS HA . 31088 1 26 . 1 . 1 3 3 LYS HB2 H 1 2.023 0.0 . 2 . . 105 . A 3 LYS HB2 . 31088 1 27 . 1 . 1 3 3 LYS HB3 H 1 2.023 0.0 . 2 . . 106 . A 3 LYS HB3 . 31088 1 28 . 1 . 1 3 3 LYS HG2 H 1 1.575 0.0 . 2 . . 108 . A 3 LYS HG2 . 31088 1 29 . 1 . 1 3 3 LYS HG3 H 1 1.575 0.0 . 2 . . 109 . A 3 LYS HG3 . 31088 1 30 . 1 . 1 3 3 LYS HD2 H 1 1.739 0.0 . 2 . . 102 . A 3 LYS HD2 . 31088 1 31 . 1 . 1 3 3 LYS HD3 H 1 1.739 0.0 . 2 . . 103 . A 3 LYS HD3 . 31088 1 32 . 1 . 1 3 3 LYS HE2 H 1 3.009 0.0 . 2 . . 99 . A 3 LYS HE2 . 31088 1 33 . 1 . 1 3 3 LYS HE3 H 1 3.009 0.0 . 2 . . 100 . A 3 LYS HE3 . 31088 1 34 . 1 . 1 3 3 LYS CA C 13 57.650 . . 1 . . 76 . A 3 LYS CA . 31088 1 35 . 1 . 1 3 3 LYS CB C 13 32.116 . . 1 . . 104 . A 3 LYS CB . 31088 1 36 . 1 . 1 3 3 LYS CG C 13 25.540 . . 1 . . 107 . A 3 LYS CG . 31088 1 37 . 1 . 1 3 3 LYS CD C 13 29.235 . . 1 . . 101 . A 3 LYS CD . 31088 1 38 . 1 . 1 3 3 LYS CE C 13 42.236 . . 1 . . 98 . A 3 LYS CE . 31088 1 39 . 1 . 1 4 4 LYS H H 1 8.278 0.0 . 1 . . 60 . A 4 LYS H . 31088 1 40 . 1 . 1 4 4 LYS HA H 1 3.955 0.0 . 1 . . 59 . A 4 LYS HA . 31088 1 41 . 1 . 1 4 4 LYS HB2 H 1 1.856 0.0 . 2 . . 61 . A 4 LYS HB2 . 31088 1 42 . 1 . 1 4 4 LYS HB3 H 1 1.926 0.0 . 2 . . 62 . A 4 LYS HB3 . 31088 1 43 . 1 . 1 4 4 LYS HG2 H 1 1.566 0.0 . 2 . . 65 . A 4 LYS HG2 . 31088 1 44 . 1 . 1 4 4 LYS HG3 H 1 1.444 0.0 . 2 . . 66 . A 4 LYS HG3 . 31088 1 45 . 1 . 1 4 4 LYS HD2 H 1 1.733 0.0 . 2 . . 63 . A 4 LYS HD2 . 31088 1 46 . 1 . 1 4 4 LYS HD3 H 1 1.733 0.0 . 2 . . 64 . A 4 LYS HD3 . 31088 1 47 . 1 . 1 4 4 LYS HE2 H 1 3.030 0.0 . 1 . . 67 . A 4 LYS HE2 . 31088 1 48 . 1 . 1 4 4 LYS HE3 H 1 3.030 0.0 . 1 . . 68 . A 4 LYS HE3 . 31088 1 49 . 1 . 1 4 4 LYS CA C 13 60.175 . . 1 . . 75 . A 4 LYS CA . 31088 1 50 . 1 . 1 4 4 LYS CB C 13 32.125 . . 1 . . 70 . A 4 LYS CB . 31088 1 51 . 1 . 1 4 4 LYS CG C 13 25.543 0.0 . 1 . . 69 . A 4 LYS CG . 31088 1 52 . 1 . 1 4 4 LYS CD C 13 29.277 . . 1 . . 71 . A 4 LYS CD . 31088 1 53 . 1 . 1 4 4 LYS CE C 13 42.308 . . 1 . . 72 . A 4 LYS CE . 31088 1 54 . 1 . 1 5 5 VAL H H 1 7.627 0.0 . 1 . . 51 . A 5 VAL H . 31088 1 55 . 1 . 1 5 5 VAL HA H 1 3.624 0.0 . 1 . . 52 . A 5 VAL HA . 31088 1 56 . 1 . 1 5 5 VAL HB H 1 2.205 0.0 . 1 . . 53 . A 5 VAL HB . 31088 1 57 . 1 . 1 5 5 VAL HG11 H 1 1.057 0.0 . 2 . . 55 . A 5 VAL HG11 . 31088 1 58 . 1 . 1 5 5 VAL HG12 H 1 1.057 0.0 . 2 . . 55 . A 5 VAL HG12 . 31088 1 59 . 1 . 1 5 5 VAL HG13 H 1 1.057 0.0 . 2 . . 55 . A 5 VAL HG13 . 31088 1 60 . 1 . 1 5 5 VAL HG21 H 1 0.948 0.0 . 2 . . 56 . A 5 VAL HG21 . 31088 1 61 . 1 . 1 5 5 VAL HG22 H 1 0.948 0.0 . 2 . . 56 . A 5 VAL HG22 . 31088 1 62 . 1 . 1 5 5 VAL HG23 H 1 0.948 0.0 . 2 . . 56 . A 5 VAL HG23 . 31088 1 63 . 1 . 1 5 5 VAL CB C 13 31.559 . . 1 . . 54 . A 5 VAL CB . 31088 1 64 . 1 . 1 5 5 VAL CG1 C 13 23.086 . . 2 . . 57 . A 5 VAL CG1 . 31088 1 65 . 1 . 1 5 5 VAL CG2 C 13 21.439 . . 2 . . 58 . A 5 VAL CG2 . 31088 1 66 . 1 . 1 6 6 LEU H H 1 8.178 0.001 . 1 . . 90 . A 6 LEU H . 31088 1 67 . 1 . 1 6 6 LEU HA H 1 4.038 0.0 . 1 . . 91 . A 6 LEU HA . 31088 1 68 . 1 . 1 6 6 LEU HB2 H 1 1.645 0.0 . 2 . . 138 . A 6 LEU HB2 . 31088 1 69 . 1 . 1 6 6 LEU HB3 H 1 1.645 0.0 . 2 . . 140 . A 6 LEU HB3 . 31088 1 70 . 1 . 1 6 6 LEU HD11 H 1 0.895 0.0 . 2 . . 123 . A 6 LEU HD11 . 31088 1 71 . 1 . 1 6 6 LEU HD12 H 1 0.895 0.0 . 2 . . 123 . A 6 LEU HD12 . 31088 1 72 . 1 . 1 6 6 LEU HD13 H 1 0.895 0.0 . 2 . . 123 . A 6 LEU HD13 . 31088 1 73 . 1 . 1 6 6 LEU HD21 H 1 0.895 0.0 . 2 . . 124 . A 6 LEU HD21 . 31088 1 74 . 1 . 1 6 6 LEU HD22 H 1 0.895 0.0 . 2 . . 124 . A 6 LEU HD22 . 31088 1 75 . 1 . 1 6 6 LEU HD23 H 1 0.895 0.0 . 2 . . 124 . A 6 LEU HD23 . 31088 1 76 . 1 . 1 6 6 LEU CA C 13 58.021 . . 1 . . 92 . A 6 LEU CA . 31088 1 77 . 1 . 1 6 6 LEU CB C 13 41.382 . . 1 . . 139 . A 6 LEU CB . 31088 1 78 . 1 . 1 6 6 LEU CD1 C 13 23.204 . . 1 . . 121 . A 6 LEU CD1 . 31088 1 79 . 1 . 1 6 6 LEU CD2 C 13 23.204 . . 1 . . 122 . A 6 LEU CD2 . 31088 1 80 . 1 . 1 7 7 ALA H H 1 7.634 0.0 . 1 . . 1 . A 7 ALA H . 31088 1 81 . 1 . 1 7 7 ALA HA H 1 4.056 0.0 . 1 . . 2 . A 7 ALA HA . 31088 1 82 . 1 . 1 7 7 ALA HB1 H 1 1.524 0.0 . 1 . . 3 . A 7 ALA HB1 . 31088 1 83 . 1 . 1 7 7 ALA HB2 H 1 1.524 0.0 . 1 . . 3 . A 7 ALA HB2 . 31088 1 84 . 1 . 1 7 7 ALA HB3 H 1 1.524 0.0 . 1 . . 3 . A 7 ALA HB3 . 31088 1 85 . 1 . 1 7 7 ALA CA C 13 55.016 . . 1 . . 5 . A 7 ALA CA . 31088 1 86 . 1 . 1 7 7 ALA CB C 13 18.148 0.0 . 1 . . 4 . A 7 ALA CB . 31088 1 87 . 1 . 1 8 8 LEU H H 1 7.681 0.0 . 1 . . 80 . A 8 LEU H . 31088 1 88 . 1 . 1 8 8 LEU HA H 1 4.131 0.0 . 1 . . 81 . A 8 LEU HA . 31088 1 89 . 1 . 1 8 8 LEU HB2 H 1 1.918 0.0 . 2 . . 83 . A 8 LEU HB2 . 31088 1 90 . 1 . 1 8 8 LEU HB3 H 1 1.918 0.0 . 2 . . 84 . A 8 LEU HB3 . 31088 1 91 . 1 . 1 8 8 LEU HG H 1 1.829 0.0 . 1 . . 86 . A 8 LEU HG . 31088 1 92 . 1 . 1 8 8 LEU HD11 H 1 0.940 0.0 . 1 . . 88 . A 8 LEU HD11 . 31088 1 93 . 1 . 1 8 8 LEU HD12 H 1 0.940 0.0 . 1 . . 88 . A 8 LEU HD12 . 31088 1 94 . 1 . 1 8 8 LEU HD13 H 1 0.940 0.0 . 1 . . 88 . A 8 LEU HD13 . 31088 1 95 . 1 . 1 8 8 LEU CA C 13 57.768 . . 1 . . 82 . A 8 LEU CA . 31088 1 96 . 1 . 1 8 8 LEU CB C 13 41.860 . . 1 . . 85 . A 8 LEU CB . 31088 1 97 . 1 . 1 8 8 LEU CG C 13 27.114 . . 1 . . 87 . A 8 LEU CG . 31088 1 98 . 1 . 1 8 8 LEU CD1 C 13 23.806 . . 1 . . 89 . A 8 LEU CD1 . 31088 1 99 . 1 . 1 8 8 LEU CD2 C 13 23.806 . . 1 . . 129 . A 8 LEU CD2 . 31088 1 100 . 1 . 1 9 9 LEU H H 1 8.178 0.001 . 1 . . 77 . A 9 LEU H . 31088 1 101 . 1 . 1 9 9 LEU HA H 1 4.020 0.001 . 1 . . 78 . A 9 LEU HA . 31088 1 102 . 1 . 1 9 9 LEU HB2 H 1 1.898 0.0 . 2 . . 125 . A 9 LEU HB2 . 31088 1 103 . 1 . 1 9 9 LEU HB3 H 1 1.898 0.0 . 2 . . 126 . A 9 LEU HB3 . 31088 1 104 . 1 . 1 9 9 LEU HG H 1 1.793 0.0 . 1 . . 128 . A 9 LEU HG . 31088 1 105 . 1 . 1 9 9 LEU HD11 H 1 0.856 0.0 . 1 . . 116 . A 9 LEU HD11 . 31088 1 106 . 1 . 1 9 9 LEU HD12 H 1 0.856 0.0 . 1 . . 116 . A 9 LEU HD12 . 31088 1 107 . 1 . 1 9 9 LEU HD13 H 1 0.856 0.0 . 1 . . 116 . A 9 LEU HD13 . 31088 1 108 . 1 . 1 9 9 LEU HD21 H 1 0.856 0.0 . 1 . . 117 . A 9 LEU HD21 . 31088 1 109 . 1 . 1 9 9 LEU HD22 H 1 0.856 0.0 . 1 . . 117 . A 9 LEU HD22 . 31088 1 110 . 1 . 1 9 9 LEU HD23 H 1 0.856 0.0 . 1 . . 117 . A 9 LEU HD23 . 31088 1 111 . 1 . 1 9 9 LEU CA C 13 57.880 . . 1 . . 79 . A 9 LEU CA . 31088 1 112 . 1 . 1 9 9 LEU CB C 13 41.810 . . 1 . . 112 . A 9 LEU CB . 31088 1 113 . 1 . 1 9 9 LEU CG C 13 27.164 . . 1 . . 127 . A 9 LEU CG . 31088 1 114 . 1 . 1 9 9 LEU CD1 C 13 23.563 . . 1 . . 130 . A 9 LEU CD1 . 31088 1 115 . 1 . 1 9 9 LEU CD2 C 13 23.563 . . 1 . . 118 . A 9 LEU CD2 . 31088 1 116 . 1 . 1 10 10 LYS H H 1 7.977 0.0 . 1 . . 36 . A 10 LYS H . 31088 1 117 . 1 . 1 10 10 LYS HA H 1 4.044 0.0 . 1 . . 37 . A 10 LYS HA . 31088 1 118 . 1 . 1 10 10 LYS HB2 H 1 1.896 0.0 . 2 . . 48 . A 10 LYS HB2 . 31088 1 119 . 1 . 1 10 10 LYS HB3 H 1 1.895 0.006 . 2 . . 49 . A 10 LYS HB3 . 31088 1 120 . 1 . 1 10 10 LYS HG2 H 1 1.533 0.0 . 2 . . 135 . A 10 LYS HG2 . 31088 1 121 . 1 . 1 10 10 LYS HG3 H 1 1.533 0.0 . 2 . . 137 . A 10 LYS HG3 . 31088 1 122 . 1 . 1 10 10 LYS HD2 H 1 1.701 0.0 . 2 . . 44 . A 10 LYS HD2 . 31088 1 123 . 1 . 1 10 10 LYS HD3 H 1 1.701 0.0 . 2 . . 45 . A 10 LYS HD3 . 31088 1 124 . 1 . 1 10 10 LYS HE2 H 1 2.973 0.0 . 2 . . 41 . A 10 LYS HE2 . 31088 1 125 . 1 . 1 10 10 LYS HE3 H 1 2.973 0.0 . 2 . . 42 . A 10 LYS HE3 . 31088 1 126 . 1 . 1 10 10 LYS CA C 13 58.217 . . 1 . . 38 . A 10 LYS CA . 31088 1 127 . 1 . 1 10 10 LYS CB C 13 32.058 . . 1 . . 50 . A 10 LYS CB . 31088 1 128 . 1 . 1 10 10 LYS CG C 13 25.503 . . 1 . . 40 . A 10 LYS CG . 31088 1 129 . 1 . 1 10 10 LYS CD C 13 29.187 . . 1 . . 39 . A 10 LYS CD . 31088 1 130 . 1 . 1 10 10 LYS CE C 13 42.145 . . 1 . . 43 . A 10 LYS CE . 31088 1 131 . 1 . 1 11 11 LYS H H 1 7.685 0.0 . 1 . . 24 . A 11 LYS H . 31088 1 132 . 1 . 1 11 11 LYS HA H 1 4.233 0.0 . 1 . . 25 . A 11 LYS HA . 31088 1 133 . 1 . 1 11 11 LYS HB2 H 1 2.072 0.0 . 2 . . 113 . A 11 LYS HB2 . 31088 1 134 . 1 . 1 11 11 LYS HB3 H 1 2.072 0.0 . 2 . . 114 . A 11 LYS HB3 . 31088 1 135 . 1 . 1 11 11 LYS HG2 H 1 1.450 0.0 . 2 . . 31 . A 11 LYS HG2 . 31088 1 136 . 1 . 1 11 11 LYS HG3 H 1 1.567 0.0 . 2 . . 32 . A 11 LYS HG3 . 31088 1 137 . 1 . 1 11 11 LYS HD2 H 1 1.731 0.0 . 2 . . 34 . A 11 LYS HD2 . 31088 1 138 . 1 . 1 11 11 LYS HD3 H 1 1.731 0.0 . 2 . . 35 . A 11 LYS HD3 . 31088 1 139 . 1 . 1 11 11 LYS HE2 H 1 3.026 0.0 . 2 . . 26 . A 11 LYS HE2 . 31088 1 140 . 1 . 1 11 11 LYS HE3 H 1 3.026 0.0 . 2 . . 27 . A 11 LYS HE3 . 31088 1 141 . 1 . 1 11 11 LYS CA C 13 58.247 . . 1 . . 29 . A 11 LYS CA . 31088 1 142 . 1 . 1 11 11 LYS CB C 13 32.971 . . 1 . . 115 . A 11 LYS CB . 31088 1 143 . 1 . 1 11 11 LYS CG C 13 25.549 . . 1 . . 30 . A 11 LYS CG . 31088 1 144 . 1 . 1 11 11 LYS CD C 13 29.204 . . 1 . . 33 . A 11 LYS CD . 31088 1 145 . 1 . 1 11 11 LYS CE C 13 42.231 . . 1 . . 28 . A 11 LYS CE . 31088 1 146 . 1 . 1 12 12 VAL H H 1 7.612 0.0 . 1 . . 6 . A 12 VAL H . 31088 1 147 . 1 . 1 12 12 VAL HA H 1 4.353 0.0 . 1 . . 7 . A 12 VAL HA . 31088 1 148 . 1 . 1 12 12 VAL HB H 1 2.330 0.0 . 1 . . 9 . A 12 VAL HB . 31088 1 149 . 1 . 1 12 12 VAL HG11 H 1 0.986 0.0 . 2 . . 11 . A 12 VAL HG11 . 31088 1 150 . 1 . 1 12 12 VAL HG12 H 1 0.986 0.0 . 2 . . 11 . A 12 VAL HG12 . 31088 1 151 . 1 . 1 12 12 VAL HG13 H 1 0.986 0.0 . 2 . . 11 . A 12 VAL HG13 . 31088 1 152 . 1 . 1 12 12 VAL HG21 H 1 1.034 0.0 . 2 . . 12 . A 12 VAL HG21 . 31088 1 153 . 1 . 1 12 12 VAL HG22 H 1 1.034 0.0 . 2 . . 12 . A 12 VAL HG22 . 31088 1 154 . 1 . 1 12 12 VAL HG23 H 1 1.034 0.0 . 2 . . 12 . A 12 VAL HG23 . 31088 1 155 . 1 . 1 12 12 VAL CA C 13 62.288 . . 1 . . 8 . A 12 VAL CA . 31088 1 156 . 1 . 1 12 12 VAL CB C 13 33.161 . . 1 . . 10 . A 12 VAL CB . 31088 1 157 . 1 . 1 12 12 VAL CG1 C 13 21.679 . . 2 . . 14 . A 12 VAL CG1 . 31088 1 158 . 1 . 1 12 12 VAL CG2 C 13 19.935 . . 2 . . 13 . A 12 VAL CG2 . 31088 1 159 . 1 . 1 13 13 LEU H H 1 7.461 0.0 . 1 . . 15 . A 13 LEU H . 31088 1 160 . 1 . 1 13 13 LEU HA H 1 4.232 0.0 . 1 . . 16 . A 13 LEU HA . 31088 1 161 . 1 . 1 13 13 LEU HB2 H 1 1.606 0.0 . 2 . . 18 . A 13 LEU HB2 . 31088 1 162 . 1 . 1 13 13 LEU HB3 H 1 1.691 0.0 . 2 . . 19 . A 13 LEU HB3 . 31088 1 163 . 1 . 1 13 13 LEU HG H 1 1.783 0.0 . 1 . . 133 . A 13 LEU HG . 31088 1 164 . 1 . 1 13 13 LEU HD11 H 1 0.897 0.0 . 1 . . 20 . A 13 LEU HD11 . 31088 1 165 . 1 . 1 13 13 LEU HD12 H 1 0.897 0.0 . 1 . . 20 . A 13 LEU HD12 . 31088 1 166 . 1 . 1 13 13 LEU HD13 H 1 0.897 0.0 . 1 . . 20 . A 13 LEU HD13 . 31088 1 167 . 1 . 1 13 13 LEU CA C 13 56.576 0.001 . 1 . . 17 . A 13 LEU CA . 31088 1 168 . 1 . 1 13 13 LEU CB C 13 43.119 . . 1 . . 22 . A 13 LEU CB . 31088 1 169 . 1 . 1 13 13 LEU CG C 13 27.145 . . 1 . . 132 . A 13 LEU CG . 31088 1 170 . 1 . 1 13 13 LEU CD1 C 13 25.852 . . 1 . . 119 . A 13 LEU CD1 . 31088 1 171 . 1 . 1 13 13 LEU CD2 C 13 25.852 . . 1 . . 120 . A 13 LEU CD2 . 31088 1 stop_ save_