################################### # 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 53423 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Heavy Chain Fab anti-LAMP1 chemical shifts' _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' . . . 53423 1 2 '2D 1H-13C HMQC' . . . 53423 1 3 '2D 1H-13C HMQC' . . . 53423 1 4 '2D 1H-13C HMQC' . . . 53423 1 5 'CCH HMQC-NOESY-HMQC' . . . 53423 1 6 HCC . . . 53423 1 7 HC(C)C . . . 53423 1 8 HC(CC)C . . . 53423 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 . . 53423 1 4 $software_4 . . 53423 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 . 2 . 2 39 39 VAL HG11 H 1 0.23 0.08 . 1 . . . . . 2 VAL MG1 . 53423 1 2 . 2 . 2 39 39 VAL HG12 H 1 0.23 0.08 . 1 . . . . . 2 VAL MG1 . 53423 1 3 . 2 . 2 39 39 VAL HG13 H 1 0.23 0.08 . 1 . . . . . 2 VAL MG1 . 53423 1 4 . 2 . 2 39 39 VAL CG1 C 13 20.49 0.08 . 1 . . . . . 2 VAL CG1 . 53423 1 5 . 2 . 2 41 41 LEU HD21 H 1 0.94 0.08 . 1 . . . . . 4 LEU MD2 . 53423 1 6 . 2 . 2 41 41 LEU HD22 H 1 0.94 0.08 . 1 . . . . . 4 LEU MD2 . 53423 1 7 . 2 . 2 41 41 LEU HD23 H 1 0.94 0.08 . 1 . . . . . 4 LEU MD2 . 53423 1 8 . 2 . 2 41 41 LEU CD2 C 13 24.42 0.08 . 1 . . . . . 4 LEU CD2 . 53423 1 9 . 2 . 2 42 42 VAL HG11 H 1 0.97 0.08 . 1 . . . . . 5 VAL MG1 . 53423 1 10 . 2 . 2 42 42 VAL HG12 H 1 0.97 0.08 . 1 . . . . . 5 VAL MG1 . 53423 1 11 . 2 . 2 42 42 VAL HG13 H 1 0.97 0.08 . 1 . . . . . 5 VAL MG1 . 53423 1 12 . 2 . 2 42 42 VAL CG1 C 13 20.84 0.08 . 1 . . . . . 5 VAL CG1 . 53423 1 13 . 2 . 2 46 46 ALA HB1 H 1 1.53 0.08 . 1 . . . . . 9 ALA MB . 53423 1 14 . 2 . 2 46 46 ALA HB2 H 1 1.53 0.08 . 1 . . . . . 9 ALA MB . 53423 1 15 . 2 . 2 46 46 ALA HB3 H 1 1.53 0.08 . 1 . . . . . 9 ALA MB . 53423 1 16 . 2 . 2 46 46 ALA CB C 13 19.84 0.08 . 1 . . . . . 9 ALA CB . 53423 1 17 . 2 . 2 48 48 VAL HG11 H 1 1.14 0.08 . 1 . . . . . 11 VAL MG1 . 53423 1 18 . 2 . 2 48 48 VAL HG12 H 1 1.14 0.08 . 1 . . . . . 11 VAL MG1 . 53423 1 19 . 2 . 2 48 48 VAL HG13 H 1 1.14 0.08 . 1 . . . . . 11 VAL MG1 . 53423 1 20 . 2 . 2 48 48 VAL CG1 C 13 21.67 0.08 . 1 . . . . . 11 VAL CG1 . 53423 1 21 . 2 . 2 55 55 VAL HG11 H 1 0.8 0.08 . 1 . . . . . 18 VAL MG1 . 53423 1 22 . 2 . 2 55 55 VAL HG12 H 1 0.8 0.08 . 1 . . . . . 18 VAL MG1 . 53423 1 23 . 2 . 2 55 55 VAL HG13 H 1 0.8 0.08 . 1 . . . . . 18 VAL MG1 . 53423 1 24 . 2 . 2 55 55 VAL CG1 C 13 19.68 0.08 . 1 . . . . . 18 VAL CG1 . 53423 1 25 . 2 . 2 57 57 VAL HG11 H 1 1.21 0.08 . 1 . . . . . 20 VAL MG1 . 53423 1 26 . 2 . 2 57 57 VAL HG12 H 1 1.21 0.08 . 1 . . . . . 20 VAL MG1 . 53423 1 27 . 2 . 2 57 57 VAL HG13 H 1 1.21 0.08 . 1 . . . . . 20 VAL MG1 . 53423 1 28 . 2 . 2 57 57 VAL CG1 C 13 22.03 0.08 . 1 . . . . . 20 VAL CG1 . 53423 1 29 . 2 . 2 61 61 ALA HB1 H 1 1.57 0.08 . 1 . . . . . 24 ALA MB . 53423 1 30 . 2 . 2 61 61 ALA HB2 H 1 1.57 0.08 . 1 . . . . . 24 ALA MB . 53423 1 31 . 2 . 2 61 61 ALA HB3 H 1 1.57 0.08 . 1 . . . . . 24 ALA MB . 53423 1 32 . 2 . 2 61 61 ALA CB C 13 23.21 0.08 . 1 . . . . . 24 ALA CB . 53423 1 33 . 2 . 2 65 65 ILE HD11 H 1 0.89 0.08 . 1 . . . . . 28 ILE MD . 53423 1 34 . 2 . 2 65 65 ILE HD12 H 1 0.89 0.08 . 1 . . . . . 28 ILE MD . 53423 1 35 . 2 . 2 65 65 ILE HD13 H 1 0.89 0.08 . 1 . . . . . 28 ILE MD . 53423 1 36 . 2 . 2 65 65 ILE CD1 C 13 11.89 0.08 . 1 . . . . . 28 ILE CD1 . 53423 1 37 . 2 . 2 71 71 ILE HD11 H 1 0.7 0.08 . 1 . . . . . 34 ILE MD . 53423 1 38 . 2 . 2 71 71 ILE HD12 H 1 0.7 0.08 . 1 . . . . . 34 ILE MD . 53423 1 39 . 2 . 2 71 71 ILE HD13 H 1 0.7 0.08 . 1 . . . . . 34 ILE MD . 53423 1 40 . 2 . 2 71 71 ILE CD1 C 13 9.3 0.08 . 1 . . . . . 34 ILE CD1 . 53423 1 41 . 2 . 2 74 74 VAL HG11 H 1 0.95 0.08 . 1 . . . . . 37 VAL MG1 . 53423 1 42 . 2 . 2 74 74 VAL HG12 H 1 0.95 0.08 . 1 . . . . . 37 VAL MG1 . 53423 1 43 . 2 . 2 74 74 VAL HG13 H 1 0.95 0.08 . 1 . . . . . 37 VAL MG1 . 53423 1 44 . 2 . 2 74 74 VAL CG1 C 13 21.47 0.08 . 1 . . . . . 37 VAL CG1 . 53423 1 45 . 2 . 2 82 82 LEU HD21 H 1 0.18 0.08 . 1 . . . . . 45 LEU MD2 . 53423 1 46 . 2 . 2 82 82 LEU HD22 H 1 0.18 0.08 . 1 . . . . . 45 LEU MD2 . 53423 1 47 . 2 . 2 82 82 LEU HD23 H 1 0.18 0.08 . 1 . . . . . 45 LEU MD2 . 53423 1 48 . 2 . 2 82 82 LEU CD2 C 13 22.95 0.08 . 1 . . . . . 45 LEU CD2 . 53423 1 49 . 2 . 2 85 85 ILE HD11 H 1 0.68 0.08 . 1 . . . . . 48 ILE MD . 53423 1 50 . 2 . 2 85 85 ILE HD12 H 1 0.68 0.08 . 1 . . . . . 48 ILE MD . 53423 1 51 . 2 . 2 85 85 ILE HD13 H 1 0.68 0.08 . 1 . . . . . 48 ILE MD . 53423 1 52 . 2 . 2 85 85 ILE CD1 C 13 14.77 0.08 . 1 . . . . . 48 ILE CD1 . 53423 1 53 . 2 . 2 87 87 ALA HB1 H 1 0.57 0.08 . 1 . . . . . 50 ALA MB . 53423 1 54 . 2 . 2 87 87 ALA HB2 H 1 0.57 0.08 . 1 . . . . . 50 ALA MB . 53423 1 55 . 2 . 2 87 87 ALA HB3 H 1 0.57 0.08 . 1 . . . . . 50 ALA MB . 53423 1 56 . 2 . 2 87 87 ALA CB C 13 22.56 0.08 . 1 . . . . . 50 ALA CB . 53423 1 57 . 2 . 2 88 88 ILE HD11 H 1 0.74 0.08 . 1 . . . . . 51 ILE MD . 53423 1 58 . 2 . 2 88 88 ILE HD12 H 1 0.74 0.08 . 1 . . . . . 51 ILE MD . 53423 1 59 . 2 . 2 88 88 ILE HD13 H 1 0.74 0.08 . 1 . . . . . 51 ILE MD . 53423 1 60 . 2 . 2 88 88 ILE CD1 C 13 14.41 0.08 . 1 . . . . . 51 ILE CD1 . 53423 1 61 . 2 . 2 95 95 ALA HB1 H 1 1.12 0.08 . 1 . . . . . 58 ALA MB . 53423 1 62 . 2 . 2 95 95 ALA HB2 H 1 1.12 0.08 . 1 . . . . . 58 ALA MB . 53423 1 63 . 2 . 2 95 95 ALA HB3 H 1 1.12 0.08 . 1 . . . . . 58 ALA MB . 53423 1 64 . 2 . 2 95 95 ALA CB C 13 20.3 0.08 . 1 . . . . . 58 ALA CB . 53423 1 65 . 2 . 2 105 105 ALA HB1 H 1 1.08 0.08 . 1 . . . . . 68 ALA MB . 53423 1 66 . 2 . 2 105 105 ALA HB2 H 1 1.08 0.08 . 1 . . . . . 68 ALA MB . 53423 1 67 . 2 . 2 105 105 ALA HB3 H 1 1.08 0.08 . 1 . . . . . 68 ALA MB . 53423 1 68 . 2 . 2 105 105 ALA CB C 13 22.17 0.08 . 1 . . . . . 68 ALA CB . 53423 1 69 . 2 . 2 107 107 LEU HD21 H 1 0.27 0.08 . 1 . . . . . 70 LEU MD2 . 53423 1 70 . 2 . 2 107 107 LEU HD22 H 1 0.27 0.08 . 1 . . . . . 70 LEU MD2 . 53423 1 71 . 2 . 2 107 107 LEU HD23 H 1 0.27 0.08 . 1 . . . . . 70 LEU MD2 . 53423 1 72 . 2 . 2 107 107 LEU CD2 C 13 22.83 0.08 . 1 . . . . . 70 LEU CD2 . 53423 1 73 . 2 . 2 109 109 ALA HB1 H 1 1.44 0.08 . 1 . . . . . 72 ALA MB . 53423 1 74 . 2 . 2 109 109 ALA HB2 H 1 1.44 0.08 . 1 . . . . . 72 ALA MB . 53423 1 75 . 2 . 2 109 109 ALA HB3 H 1 1.44 0.08 . 1 . . . . . 72 ALA MB . 53423 1 76 . 2 . 2 109 109 ALA CB C 13 22.36 0.08 . 1 . . . . . 72 ALA CB . 53423 1 77 . 2 . 2 116 116 THR HG21 H 1 1.5 0.08 . 1 . . . . . 79 THR MG . 53423 1 78 . 2 . 2 116 116 THR HG22 H 1 1.5 0.08 . 1 . . . . . 79 THR MG . 53423 1 79 . 2 . 2 116 116 THR HG23 H 1 1.5 0.08 . 1 . . . . . 79 THR MG . 53423 1 80 . 2 . 2 116 116 THR CG2 C 13 22.95 0.08 . 1 . . . . . 79 THR CG2 . 53423 1 81 . 2 . 2 118 118 MET HE1 H 1 1.1 0.08 . 1 . . . . . 81 MET ME . 53423 1 82 . 2 . 2 118 118 MET HE2 H 1 1.1 0.08 . 1 . . . . . 81 MET ME . 53423 1 83 . 2 . 2 118 118 MET HE3 H 1 1.1 0.08 . 1 . . . . . 81 MET ME . 53423 1 84 . 2 . 2 118 118 MET CE C 13 15.85 0.08 . 1 . . . . . 81 MET CE . 53423 1 85 . 2 . 2 120 120 LEU HD21 H 1 0.75 0.08 . 1 . . . . . 83 LEU MD2 . 53423 1 86 . 2 . 2 120 120 LEU HD22 H 1 0.75 0.08 . 1 . . . . . 83 LEU MD2 . 53423 1 87 . 2 . 2 120 120 LEU HD23 H 1 0.75 0.08 . 1 . . . . . 83 LEU MD2 . 53423 1 88 . 2 . 2 120 120 LEU CD2 C 13 23.27 0.08 . 1 . . . . . 83 LEU CD2 . 53423 1 89 . 2 . 2 123 123 LEU HD21 H 1 0.67 0.08 . 1 . . . . . 86 LEU MD2 . 53423 1 90 . 2 . 2 123 123 LEU HD22 H 1 0.67 0.08 . 1 . . . . . 86 LEU MD2 . 53423 1 91 . 2 . 2 123 123 LEU HD23 H 1 0.67 0.08 . 1 . . . . . 86 LEU MD2 . 53423 1 92 . 2 . 2 123 123 LEU CD2 C 13 22.97 0.08 . 1 . . . . . 86 LEU CD2 . 53423 1 93 . 2 . 2 129 129 ALA HB1 H 1 1.09 0.08 . 1 . . . . . 92 ALA MB . 53423 1 94 . 2 . 2 129 129 ALA HB2 H 1 1.09 0.08 . 1 . . . . . 92 ALA MB . 53423 1 95 . 2 . 2 129 129 ALA HB3 H 1 1.09 0.08 . 1 . . . . . 92 ALA MB . 53423 1 96 . 2 . 2 129 129 ALA CB C 13 21.42 0.08 . 1 . . . . . 92 ALA CB . 53423 1 97 . 2 . 2 130 130 VAL HG11 H 1 0.4 0.08 . 1 . . . . . 93 VAL MG1 . 53423 1 98 . 2 . 2 130 130 VAL HG12 H 1 0.4 0.08 . 1 . . . . . 93 VAL MG1 . 53423 1 99 . 2 . 2 130 130 VAL HG13 H 1 0.4 0.08 . 1 . . . . . 93 VAL MG1 . 53423 1 100 . 2 . 2 130 130 VAL CG1 C 13 21.27 0.08 . 1 . . . . . 93 VAL CG1 . 53423 1 101 . 2 . 2 134 134 VAL HG11 H 1 -0.14 0.08 . 1 . . . . . 97 VAL MG1 . 53423 1 102 . 2 . 2 134 134 VAL HG12 H 1 -0.14 0.08 . 1 . . . . . 97 VAL MG1 . 53423 1 103 . 2 . 2 134 134 VAL HG13 H 1 -0.14 0.08 . 1 . . . . . 97 VAL MG1 . 53423 1 104 . 2 . 2 134 134 VAL CG1 C 13 20.01 0.08 . 1 . . . . . 97 VAL CG1 . 53423 1 105 . 2 . 2 136 136 ALA HB1 H 1 1.17 0.08 . 1 . . . . . 99 ALA MB . 53423 1 106 . 2 . 2 136 136 ALA HB2 H 1 1.17 0.08 . 1 . . . . . 99 ALA MB . 53423 1 107 . 2 . 2 136 136 ALA HB3 H 1 1.17 0.08 . 1 . . . . . 99 ALA MB . 53423 1 108 . 2 . 2 136 136 ALA CB C 13 20.69 0.08 . 1 . . . . . 99 ALA CB . 53423 1 109 . 2 . 2 140 140 VAL HG11 H 1 -0.24 0.08 . 1 . . . . . 103 VAL MG1 . 53423 1 110 . 2 . 2 140 140 VAL HG12 H 1 -0.24 0.08 . 1 . . . . . 103 VAL MG1 . 53423 1 111 . 2 . 2 140 140 VAL HG13 H 1 -0.24 0.08 . 1 . . . . . 103 VAL MG1 . 53423 1 112 . 2 . 2 140 140 VAL CG1 C 13 20.7 0.08 . 1 . . . . . 103 VAL CG1 . 53423 1 113 . 2 . 2 141 141 ALA HB1 H 1 0.27 0.08 . 1 . . . . . 104 ALA MB . 53423 1 114 . 2 . 2 141 141 ALA HB2 H 1 0.27 0.08 . 1 . . . . . 104 ALA MB . 53423 1 115 . 2 . 2 141 141 ALA HB3 H 1 0.27 0.08 . 1 . . . . . 104 ALA MB . 53423 1 116 . 2 . 2 141 141 ALA CB C 13 16.59 0.08 . 1 . . . . . 104 ALA CB . 53423 1 117 . 2 . 2 143 143 ALA HB1 H 1 1.24 0.08 . 1 . . . . . 106 ALA MB . 53423 1 118 . 2 . 2 143 143 ALA HB2 H 1 1.24 0.08 . 1 . . . . . 106 ALA MB . 53423 1 119 . 2 . 2 143 143 ALA HB3 H 1 1.24 0.08 . 1 . . . . . 106 ALA MB . 53423 1 120 . 2 . 2 143 143 ALA CB C 13 19.39 0.08 . 1 . . . . . 106 ALA CB . 53423 1 121 . 2 . 2 149 149 THR HG21 H 1 1.23 0.08 . 1 . . . . . 112 THR MG . 53423 1 122 . 2 . 2 149 149 THR HG22 H 1 1.23 0.08 . 1 . . . . . 112 THR MG . 53423 1 123 . 2 . 2 149 149 THR HG23 H 1 1.23 0.08 . 1 . . . . . 112 THR MG . 53423 1 124 . 2 . 2 149 149 THR CG2 C 13 21.92 0.08 . 1 . . . . . 112 THR CG2 . 53423 1 125 . 2 . 2 150 150 LEU HD21 H 1 0.8 0.08 . 1 . . . . . 113 LEU MD2 . 53423 1 126 . 2 . 2 150 150 LEU HD22 H 1 0.8 0.08 . 1 . . . . . 113 LEU MD2 . 53423 1 127 . 2 . 2 150 150 LEU HD23 H 1 0.8 0.08 . 1 . . . . . 113 LEU MD2 . 53423 1 128 . 2 . 2 150 150 LEU CD2 C 13 25.87 0.08 . 1 . . . . . 113 LEU CD2 . 53423 1 129 . 2 . 2 151 151 VAL HG11 H 1 0.72 0.08 . 1 . . . . . 114 VAL MG1 . 53423 1 130 . 2 . 2 151 151 VAL HG12 H 1 0.72 0.08 . 1 . . . . . 114 VAL MG1 . 53423 1 131 . 2 . 2 151 151 VAL HG13 H 1 0.72 0.08 . 1 . . . . . 114 VAL MG1 . 53423 1 132 . 2 . 2 151 151 VAL CG1 C 13 20.14 0.08 . 1 . . . . . 114 VAL CG1 . 53423 1 133 . 2 . 2 153 153 VAL HG11 H 1 0.44 0.08 . 1 . . . . . 116 VAL MG1 . 53423 1 134 . 2 . 2 153 153 VAL HG12 H 1 0.44 0.08 . 1 . . . . . 116 VAL MG1 . 53423 1 135 . 2 . 2 153 153 VAL HG13 H 1 0.44 0.08 . 1 . . . . . 116 VAL MG1 . 53423 1 136 . 2 . 2 153 153 VAL CG1 C 13 19.74 0.08 . 1 . . . . . 116 VAL CG1 . 53423 1 137 . 2 . 2 156 156 ALA HB1 H 1 0.28 0.08 . 1 . . . . . 119 ALA MB . 53423 1 138 . 2 . 2 156 156 ALA HB2 H 1 0.28 0.08 . 1 . . . . . 119 ALA MB . 53423 1 139 . 2 . 2 156 156 ALA HB3 H 1 0.28 0.08 . 1 . . . . . 119 ALA MB . 53423 1 140 . 2 . 2 156 156 ALA CB C 13 18.57 0.08 . 1 . . . . . 119 ALA CB . 53423 1 141 . 2 . 2 163 163 VAL HG11 H 1 0.6 0.08 . 1 . . . . . 126 VAL MG1 . 53423 1 142 . 2 . 2 163 163 VAL HG12 H 1 0.6 0.08 . 1 . . . . . 126 VAL MG1 . 53423 1 143 . 2 . 2 163 163 VAL HG13 H 1 0.6 0.08 . 1 . . . . . 126 VAL MG1 . 53423 1 144 . 2 . 2 163 163 VAL CG1 C 13 21.42 0.08 . 1 . . . . . 126 VAL CG1 . 53423 1 145 . 2 . 2 166 166 LEU HD21 H 1 0.55 0.08 . 1 . . . . . 129 LEU MD2 . 53423 1 146 . 2 . 2 166 166 LEU HD22 H 1 0.55 0.08 . 1 . . . . . 129 LEU MD2 . 53423 1 147 . 2 . 2 166 166 LEU HD23 H 1 0.55 0.08 . 1 . . . . . 129 LEU MD2 . 53423 1 148 . 2 . 2 166 166 LEU CD2 C 13 23.93 0.08 . 1 . . . . . 129 LEU CD2 . 53423 1 149 . 2 . 2 167 167 ALA HB1 H 1 1.53 0.08 . 1 . . . . . 130 ALA MB . 53423 1 150 . 2 . 2 167 167 ALA HB2 H 1 1.53 0.08 . 1 . . . . . 130 ALA MB . 53423 1 151 . 2 . 2 167 167 ALA HB3 H 1 1.53 0.08 . 1 . . . . . 130 ALA MB . 53423 1 152 . 2 . 2 167 167 ALA CB C 13 19.54 0.08 . 1 . . . . . 130 ALA CB . 53423 1 153 . 2 . 2 177 177 THR HG21 H 1 1.18 0.08 . 1 . . . . . 140 THR MG . 53423 1 154 . 2 . 2 177 177 THR HG22 H 1 1.18 0.08 . 1 . . . . . 140 THR MG . 53423 1 155 . 2 . 2 177 177 THR HG23 H 1 1.18 0.08 . 1 . . . . . 140 THR MG . 53423 1 156 . 2 . 2 177 177 THR CG2 C 13 21.98 0.08 . 1 . . . . . 140 THR CG2 . 53423 1 157 . 2 . 2 178 178 ALA HB1 H 1 1.19 0.08 . 1 . . . . . 141 ALA MB . 53423 1 158 . 2 . 2 178 178 ALA HB2 H 1 1.19 0.08 . 1 . . . . . 141 ALA MB . 53423 1 159 . 2 . 2 178 178 ALA HB3 H 1 1.19 0.08 . 1 . . . . . 141 ALA MB . 53423 1 160 . 2 . 2 178 178 ALA CB C 13 22.8 0.08 . 1 . . . . . 141 ALA CB . 53423 1 161 . 2 . 2 179 179 ALA HB1 H 1 0.35 0.08 . 1 . . . . . 142 ALA MB . 53423 1 162 . 2 . 2 179 179 ALA HB2 H 1 0.35 0.08 . 1 . . . . . 142 ALA MB . 53423 1 163 . 2 . 2 179 179 ALA HB3 H 1 0.35 0.08 . 1 . . . . . 142 ALA MB . 53423 1 164 . 2 . 2 179 179 ALA CB C 13 20.8 0.08 . 1 . . . . . 142 ALA CB . 53423 1 165 . 2 . 2 180 180 LEU HD21 H 1 0.26 0.08 . 1 . . . . . 143 LEU MD2 . 53423 1 166 . 2 . 2 180 180 LEU HD22 H 1 0.26 0.08 . 1 . . . . . 143 LEU MD2 . 53423 1 167 . 2 . 2 180 180 LEU HD23 H 1 0.26 0.08 . 1 . . . . . 143 LEU MD2 . 53423 1 168 . 2 . 2 180 180 LEU CD2 C 13 26.77 0.08 . 1 . . . . . 143 LEU CD2 . 53423 1 169 . 2 . 2 183 183 LEU HD21 H 1 0.81 0.08 . 1 . . . . . 146 LEU MD2 . 53423 1 170 . 2 . 2 183 183 LEU HD22 H 1 0.81 0.08 . 1 . . . . . 146 LEU MD2 . 53423 1 171 . 2 . 2 183 183 LEU HD23 H 1 0.81 0.08 . 1 . . . . . 146 LEU MD2 . 53423 1 172 . 2 . 2 183 183 LEU CD2 C 13 25.78 0.08 . 1 . . . . . 146 LEU CD2 . 53423 1 173 . 2 . 2 184 184 VAL HG11 H 1 0.57 0.08 . 1 . . . . . 147 VAL MG1 . 53423 1 174 . 2 . 2 184 184 VAL HG12 H 1 0.57 0.08 . 1 . . . . . 147 VAL MG1 . 53423 1 175 . 2 . 2 184 184 VAL HG13 H 1 0.57 0.08 . 1 . . . . . 147 VAL MG1 . 53423 1 176 . 2 . 2 184 184 VAL CG1 C 13 23.08 0.08 . 1 . . . . . 147 VAL CG1 . 53423 1 177 . 2 . 2 192 192 VAL HG11 H 1 0.29 0.08 . 1 . . . . . 155 VAL MG1 . 53423 1 178 . 2 . 2 192 192 VAL HG12 H 1 0.29 0.08 . 1 . . . . . 155 VAL MG1 . 53423 1 179 . 2 . 2 192 192 VAL HG13 H 1 0.29 0.08 . 1 . . . . . 155 VAL MG1 . 53423 1 180 . 2 . 2 192 192 VAL CG1 C 13 21.21 0.08 . 1 . . . . . 155 VAL CG1 . 53423 1 181 . 2 . 2 194 194 VAL HG11 H 1 0.56 0.08 . 1 . . . . . 157 VAL MG1 . 53423 1 182 . 2 . 2 194 194 VAL HG12 H 1 0.56 0.08 . 1 . . . . . 157 VAL MG1 . 53423 1 183 . 2 . 2 194 194 VAL HG13 H 1 0.56 0.08 . 1 . . . . . 157 VAL MG1 . 53423 1 184 . 2 . 2 194 194 VAL CG1 C 13 20.8 0.08 . 1 . . . . . 157 VAL CG1 . 53423 1 185 . 2 . 2 200 200 ALA HB1 H 1 1.61 0.08 . 1 . . . . . 163 ALA MB . 53423 1 186 . 2 . 2 200 200 ALA HB2 H 1 1.61 0.08 . 1 . . . . . 163 ALA MB . 53423 1 187 . 2 . 2 200 200 ALA HB3 H 1 1.61 0.08 . 1 . . . . . 163 ALA MB . 53423 1 188 . 2 . 2 200 200 ALA CB C 13 19.12 0.08 . 1 . . . . . 163 ALA CB . 53423 1 189 . 2 . 2 201 201 LEU HD21 H 1 0.84 0.08 . 1 . . . . . 164 LEU MD2 . 53423 1 190 . 2 . 2 201 201 LEU HD22 H 1 0.84 0.08 . 1 . . . . . 164 LEU MD2 . 53423 1 191 . 2 . 2 201 201 LEU HD23 H 1 0.84 0.08 . 1 . . . . . 164 LEU MD2 . 53423 1 192 . 2 . 2 201 201 LEU CD2 C 13 26.13 0.08 . 1 . . . . . 164 LEU CD2 . 53423 1 193 . 2 . 2 202 202 THR HG21 H 1 1.17 0.08 . 1 . . . . . 165 THR MG . 53423 1 194 . 2 . 2 202 202 THR HG22 H 1 1.17 0.08 . 1 . . . . . 165 THR MG . 53423 1 195 . 2 . 2 202 202 THR HG23 H 1 1.17 0.08 . 1 . . . . . 165 THR MG . 53423 1 196 . 2 . 2 202 202 THR CG2 C 13 21.66 0.08 . 1 . . . . . 165 THR CG2 . 53423 1 197 . 2 . 2 205 205 VAL HG11 H 1 0.89 0.08 . 1 . . . . . 168 VAL MG1 . 53423 1 198 . 2 . 2 205 205 VAL HG12 H 1 0.89 0.08 . 1 . . . . . 168 VAL MG1 . 53423 1 199 . 2 . 2 205 205 VAL HG13 H 1 0.89 0.08 . 1 . . . . . 168 VAL MG1 . 53423 1 200 . 2 . 2 205 205 VAL CG1 C 13 20.9 0.08 . 1 . . . . . 168 VAL CG1 . 53423 1 201 . 2 . 2 207 207 THR HG21 H 1 1.32 0.08 . 1 . . . . . 170 THR MG . 53423 1 202 . 2 . 2 207 207 THR HG22 H 1 1.32 0.08 . 1 . . . . . 170 THR MG . 53423 1 203 . 2 . 2 207 207 THR HG23 H 1 1.32 0.08 . 1 . . . . . 170 THR MG . 53423 1 204 . 2 . 2 207 207 THR CG2 C 13 23.63 0.08 . 1 . . . . . 170 THR CG2 . 53423 1 205 . 2 . 2 210 210 ALA HB1 H 1 1.49 0.08 . 1 . . . . . 173 ALA MB . 53423 1 206 . 2 . 2 210 210 ALA HB2 H 1 1.49 0.08 . 1 . . . . . 173 ALA MB . 53423 1 207 . 2 . 2 210 210 ALA HB3 H 1 1.49 0.08 . 1 . . . . . 173 ALA MB . 53423 1 208 . 2 . 2 210 210 ALA CB C 13 20.77 0.08 . 1 . . . . . 173 ALA CB . 53423 1 209 . 2 . 2 211 211 VAL HG11 H 1 0.94 0.08 . 1 . . . . . 174 VAL MG1 . 53423 1 210 . 2 . 2 211 211 VAL HG12 H 1 0.94 0.08 . 1 . . . . . 174 VAL MG1 . 53423 1 211 . 2 . 2 211 211 VAL HG13 H 1 0.94 0.08 . 1 . . . . . 174 VAL MG1 . 53423 1 212 . 2 . 2 211 211 VAL CG1 C 13 21.47 0.08 . 1 . . . . . 174 VAL CG1 . 53423 1 213 . 2 . 2 212 212 LEU HD21 H 1 0.73 0.08 . 1 . . . . . 175 LEU MD2 . 53423 1 214 . 2 . 2 212 212 LEU HD22 H 1 0.73 0.08 . 1 . . . . . 175 LEU MD2 . 53423 1 215 . 2 . 2 212 212 LEU HD23 H 1 0.73 0.08 . 1 . . . . . 175 LEU MD2 . 53423 1 216 . 2 . 2 212 212 LEU CD2 C 13 25.43 0.08 . 1 . . . . . 175 LEU CD2 . 53423 1 217 . 2 . 2 217 217 LEU HD21 H 1 0.62 0.08 . 1 . . . . . 180 LEU MD2 . 53423 1 218 . 2 . 2 217 217 LEU HD22 H 1 0.62 0.08 . 1 . . . . . 180 LEU MD2 . 53423 1 219 . 2 . 2 217 217 LEU HD23 H 1 0.62 0.08 . 1 . . . . . 180 LEU MD2 . 53423 1 220 . 2 . 2 217 217 LEU CD2 C 13 23.43 0.08 . 1 . . . . . 180 LEU CD2 . 53423 1 221 . 2 . 2 220 220 LEU HD21 H 1 0.9 0.08 . 1 . . . . . 183 LEU MD2 . 53423 1 222 . 2 . 2 220 220 LEU HD22 H 1 0.9 0.08 . 1 . . . . . 183 LEU MD2 . 53423 1 223 . 2 . 2 220 220 LEU HD23 H 1 0.9 0.08 . 1 . . . . . 183 LEU MD2 . 53423 1 224 . 2 . 2 220 220 LEU CD2 C 13 27.42 0.08 . 1 . . . . . 183 LEU CD2 . 53423 1 225 . 2 . 2 223 223 VAL HG11 H 1 0.86 0.08 . 1 . . . . . 186 VAL MG1 . 53423 1 226 . 2 . 2 223 223 VAL HG12 H 1 0.86 0.08 . 1 . . . . . 186 VAL MG1 . 53423 1 227 . 2 . 2 223 223 VAL HG13 H 1 0.86 0.08 . 1 . . . . . 186 VAL MG1 . 53423 1 228 . 2 . 2 223 223 VAL CG1 C 13 20.69 0.08 . 1 . . . . . 186 VAL CG1 . 53423 1 229 . 2 . 2 224 224 VAL HG11 H 1 -0.34 0.08 . 1 . . . . . 187 VAL MG1 . 53423 1 230 . 2 . 2 224 224 VAL HG12 H 1 -0.34 0.08 . 1 . . . . . 187 VAL MG1 . 53423 1 231 . 2 . 2 224 224 VAL HG13 H 1 -0.34 0.08 . 1 . . . . . 187 VAL MG1 . 53423 1 232 . 2 . 2 224 224 VAL CG1 C 13 18.73 0.08 . 1 . . . . . 187 VAL CG1 . 53423 1 233 . 2 . 2 225 225 THR HG21 H 1 0.86 0.08 . 1 . . . . . 188 THR MG . 53423 1 234 . 2 . 2 225 225 THR HG22 H 1 0.86 0.08 . 1 . . . . . 188 THR MG . 53423 1 235 . 2 . 2 225 225 THR HG23 H 1 0.86 0.08 . 1 . . . . . 188 THR MG . 53423 1 236 . 2 . 2 225 225 THR CG2 C 13 21.14 0.08 . 1 . . . . . 188 THR CG2 . 53423 1 237 . 2 . 2 226 226 VAL HG11 H 1 0.35 0.08 . 1 . . . . . 189 VAL MG1 . 53423 1 238 . 2 . 2 226 226 VAL HG12 H 1 0.35 0.08 . 1 . . . . . 189 VAL MG1 . 53423 1 239 . 2 . 2 226 226 VAL HG13 H 1 0.35 0.08 . 1 . . . . . 189 VAL MG1 . 53423 1 240 . 2 . 2 226 226 VAL CG1 C 13 21.58 0.08 . 1 . . . . . 189 VAL CG1 . 53423 1 241 . 2 . 2 231 231 LEU HD21 H 1 0.77 0.08 . 1 . . . . . 194 LEU MD2 . 53423 1 242 . 2 . 2 231 231 LEU HD22 H 1 0.77 0.08 . 1 . . . . . 194 LEU MD2 . 53423 1 243 . 2 . 2 231 231 LEU HD23 H 1 0.77 0.08 . 1 . . . . . 194 LEU MD2 . 53423 1 244 . 2 . 2 231 231 LEU CD2 C 13 23.02 0.08 . 1 . . . . . 194 LEU CD2 . 53423 1 245 . 2 . 2 235 235 THR HG21 H 1 1.17 0.08 . 1 . . . . . 198 THR MG . 53423 1 246 . 2 . 2 235 235 THR HG22 H 1 1.17 0.08 . 1 . . . . . 198 THR MG . 53423 1 247 . 2 . 2 235 235 THR HG23 H 1 1.17 0.08 . 1 . . . . . 198 THR MG . 53423 1 248 . 2 . 2 235 235 THR CG2 C 13 21.83 0.08 . 1 . . . . . 198 THR CG2 . 53423 1 249 . 2 . 2 237 237 ILE HD11 H 1 0.74 0.08 . 1 . . . . . 200 ILE MD . 53423 1 250 . 2 . 2 237 237 ILE HD12 H 1 0.74 0.08 . 1 . . . . . 200 ILE MD . 53423 1 251 . 2 . 2 237 237 ILE HD13 H 1 0.74 0.08 . 1 . . . . . 200 ILE MD . 53423 1 252 . 2 . 2 237 237 ILE CD1 C 13 13.13 0.08 . 1 . . . . . 200 ILE CD1 . 53423 1 253 . 2 . 2 240 240 VAL HG11 H 1 0.51 0.08 . 1 . . . . . 203 VAL MG1 . 53423 1 254 . 2 . 2 240 240 VAL HG12 H 1 0.51 0.08 . 1 . . . . . 203 VAL MG1 . 53423 1 255 . 2 . 2 240 240 VAL HG13 H 1 0.51 0.08 . 1 . . . . . 203 VAL MG1 . 53423 1 256 . 2 . 2 240 240 VAL CG1 C 13 20.94 0.08 . 1 . . . . . 203 VAL CG1 . 53423 1 257 . 2 . 2 249 249 VAL HG11 H 1 0.78 0.08 . 1 . . . . . 212 VAL MG1 . 53423 1 258 . 2 . 2 249 249 VAL HG12 H 1 0.78 0.08 . 1 . . . . . 212 VAL MG1 . 53423 1 259 . 2 . 2 249 249 VAL HG13 H 1 0.78 0.08 . 1 . . . . . 212 VAL MG1 . 53423 1 260 . 2 . 2 249 249 VAL CG1 C 13 20.89 0.08 . 1 . . . . . 212 VAL CG1 . 53423 1 261 . 2 . 2 253 253 VAL HG11 H 1 1.16 0.08 . 1 . . . . . 216 VAL MG1 . 53423 1 262 . 2 . 2 253 253 VAL HG12 H 1 1.16 0.08 . 1 . . . . . 216 VAL MG1 . 53423 1 263 . 2 . 2 253 253 VAL HG13 H 1 1.16 0.08 . 1 . . . . . 216 VAL MG1 . 53423 1 264 . 2 . 2 253 253 VAL CG1 C 13 23.19 0.08 . 1 . . . . . 216 VAL CG1 . 53423 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 53423 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Light Chain Fab anti-LAMP1 chemical shifts' _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' . . . 53423 2 2 '2D 1H-13C HMQC' . . . 53423 2 3 '2D 1H-13C HMQC' . . . 53423 2 4 '2D 1H-13C HMQC' . . . 53423 2 5 'CCH HMQC-NOESY-HMQC' . . . 53423 2 6 HCC . . . 53423 2 7 HC(C)C . . . 53423 2 8 HC(CC)C . . . 53423 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 . . 53423 2 4 $software_4 . . 53423 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 . 1 . 1 28 28 ILE HD11 H 1 0.75 0.08 . 1 . . . . . 2 ILE MD . 53423 2 2 . 1 . 1 28 28 ILE HD12 H 1 0.75 0.08 . 1 . . . . . 2 ILE MD . 53423 2 3 . 1 . 1 28 28 ILE HD13 H 1 0.75 0.08 . 1 . . . . . 2 ILE MD . 53423 2 4 . 1 . 1 28 28 ILE CD1 C 13 13.27 0.08 . 1 . . . . . 2 ILE CD1 . 53423 2 5 . 1 . 1 30 30 MET HE1 H 1 1.8 0.08 . 1 . . . . . 4 MET ME . 53423 2 6 . 1 . 1 30 30 MET HE2 H 1 1.8 0.08 . 1 . . . . . 4 MET ME . 53423 2 7 . 1 . 1 30 30 MET HE3 H 1 1.8 0.08 . 1 . . . . . 4 MET ME . 53423 2 8 . 1 . 1 30 30 MET CE C 13 17.26 0.08 . 1 . . . . . 4 MET CE . 53423 2 9 . 1 . 1 37 37 LEU HD21 H 1 0.93 0.08 . 1 . . . . . 11 LEU MD2 . 53423 2 10 . 1 . 1 37 37 LEU HD22 H 1 0.93 0.08 . 1 . . . . . 11 LEU MD2 . 53423 2 11 . 1 . 1 37 37 LEU HD23 H 1 0.93 0.08 . 1 . . . . . 11 LEU MD2 . 53423 2 12 . 1 . 1 37 37 LEU CD2 C 13 26.12 0.08 . 1 . . . . . 11 LEU CD2 . 53423 2 13 . 1 . 1 39 39 ALA HB1 H 1 1.35 0.08 . 1 . . . . . 13 ALA MB . 53423 2 14 . 1 . 1 39 39 ALA HB2 H 1 1.35 0.08 . 1 . . . . . 13 ALA MB . 53423 2 15 . 1 . 1 39 39 ALA HB3 H 1 1.35 0.08 . 1 . . . . . 13 ALA MB . 53423 2 16 . 1 . 1 39 39 ALA CB C 13 23.29 0.08 . 1 . . . . . 13 ALA CB . 53423 2 17 . 1 . 1 41 41 VAL HG11 H 1 1.05 0.08 . 1 . . . . . 15 VAL MG1 . 53423 2 18 . 1 . 1 41 41 VAL HG12 H 1 1.05 0.08 . 1 . . . . . 15 VAL MG1 . 53423 2 19 . 1 . 1 41 41 VAL HG13 H 1 1.05 0.08 . 1 . . . . . 15 VAL MG1 . 53423 2 20 . 1 . 1 41 41 VAL CG1 C 13 21.05 0.08 . 1 . . . . . 15 VAL CG1 . 53423 2 21 . 1 . 1 45 45 VAL HG11 H 1 0.75 0.08 . 1 . . . . . 19 VAL MG1 . 53423 2 22 . 1 . 1 45 45 VAL HG12 H 1 0.75 0.08 . 1 . . . . . 19 VAL MG1 . 53423 2 23 . 1 . 1 45 45 VAL HG13 H 1 0.75 0.08 . 1 . . . . . 19 VAL MG1 . 53423 2 24 . 1 . 1 45 45 VAL CG1 C 13 22.08 0.08 . 1 . . . . . 19 VAL CG1 . 53423 2 25 . 1 . 1 47 47 ILE HD11 H 1 0.48 0.08 . 1 . . . . . 21 ILE MD . 53423 2 26 . 1 . 1 47 47 ILE HD12 H 1 0.48 0.08 . 1 . . . . . 21 ILE MD . 53423 2 27 . 1 . 1 47 47 ILE HD13 H 1 0.48 0.08 . 1 . . . . . 21 ILE MD . 53423 2 28 . 1 . 1 47 47 ILE CD1 C 13 13.66 0.08 . 1 . . . . . 21 ILE CD1 . 53423 2 29 . 1 . 1 51 51 ALA HB1 H 1 1.67 0.08 . 1 . . . . . 25 ALA MB . 53423 2 30 . 1 . 1 51 51 ALA HB2 H 1 1.67 0.08 . 1 . . . . . 25 ALA MB . 53423 2 31 . 1 . 1 51 51 ALA HB3 H 1 1.67 0.08 . 1 . . . . . 25 ALA MB . 53423 2 32 . 1 . 1 51 51 ALA CB C 13 23.47 0.08 . 1 . . . . . 25 ALA CB . 53423 2 33 . 1 . 1 55 55 ILE HD11 H 1 0.46 0.08 . 1 . . . . . 29 ILE MD . 53423 2 34 . 1 . 1 55 55 ILE HD12 H 1 0.46 0.08 . 1 . . . . . 29 ILE MD . 53423 2 35 . 1 . 1 55 55 ILE HD13 H 1 0.46 0.08 . 1 . . . . . 29 ILE MD . 53423 2 36 . 1 . 1 55 55 ILE CD1 C 13 14.72 0.08 . 1 . . . . . 29 ILE CD1 . 53423 2 37 . 1 . 1 59 59 MET HE1 H 1 1.27 0.08 . 1 . . . . . 33 MET ME . 53423 2 38 . 1 . 1 59 59 MET HE2 H 1 1.27 0.08 . 1 . . . . . 33 MET ME . 53423 2 39 . 1 . 1 59 59 MET HE3 H 1 1.27 0.08 . 1 . . . . . 33 MET ME . 53423 2 40 . 1 . 1 59 59 MET CE C 13 15.03 0.08 . 1 . . . . . 33 MET CE . 53423 2 41 . 1 . 1 60 60 ALA HB1 H 1 1.32 0.08 . 1 . . . . . 34 ALA MB . 53423 2 42 . 1 . 1 60 60 ALA HB2 H 1 1.32 0.08 . 1 . . . . . 34 ALA MB . 53423 2 43 . 1 . 1 60 60 ALA HB3 H 1 1.32 0.08 . 1 . . . . . 34 ALA MB . 53423 2 44 . 1 . 1 60 60 ALA CB C 13 24.07 0.08 . 1 . . . . . 34 ALA CB . 53423 2 45 . 1 . 1 69 69 ALA HB1 H 1 0.94 0.08 . 1 . . . . . 43 ALA MB . 53423 2 46 . 1 . 1 69 69 ALA HB2 H 1 0.94 0.08 . 1 . . . . . 43 ALA MB . 53423 2 47 . 1 . 1 69 69 ALA HB3 H 1 0.94 0.08 . 1 . . . . . 43 ALA MB . 53423 2 48 . 1 . 1 69 69 ALA CB C 13 16.63 0.08 . 1 . . . . . 43 ALA CB . 53423 2 49 . 1 . 1 72 72 LEU HD21 H 1 0.5 0.08 . 1 . . . . . 46 LEU MD2 . 53423 2 50 . 1 . 1 72 72 LEU HD22 H 1 0.5 0.08 . 1 . . . . . 46 LEU MD2 . 53423 2 51 . 1 . 1 72 72 LEU HD23 H 1 0.5 0.08 . 1 . . . . . 46 LEU MD2 . 53423 2 52 . 1 . 1 72 72 LEU CD2 C 13 26.46 0.08 . 1 . . . . . 46 LEU CD2 . 53423 2 53 . 1 . 1 73 73 LEU HD21 H 1 0.13 0.08 . 1 . . . . . 47 LEU MD2 . 53423 2 54 . 1 . 1 73 73 LEU HD22 H 1 0.13 0.08 . 1 . . . . . 47 LEU MD2 . 53423 2 55 . 1 . 1 73 73 LEU HD23 H 1 0.13 0.08 . 1 . . . . . 47 LEU MD2 . 53423 2 56 . 1 . 1 73 73 LEU CD2 C 13 21.08 0.08 . 1 . . . . . 47 LEU CD2 . 53423 2 57 . 1 . 1 74 74 ILE HD11 H 1 0.51 0.08 . 1 . . . . . 48 ILE MD . 53423 2 58 . 1 . 1 74 74 ILE HD12 H 1 0.51 0.08 . 1 . . . . . 48 ILE MD . 53423 2 59 . 1 . 1 74 74 ILE HD13 H 1 0.51 0.08 . 1 . . . . . 48 ILE MD . 53423 2 60 . 1 . 1 74 74 ILE CD1 C 13 13.3 0.08 . 1 . . . . . 48 ILE CD1 . 53423 2 61 . 1 . 1 79 79 THR HG21 H 1 1.07 0.08 . 1 . . . . . 53 THR MG . 53423 2 62 . 1 . 1 79 79 THR HG22 H 1 1.07 0.08 . 1 . . . . . 53 THR MG . 53423 2 63 . 1 . 1 79 79 THR HG23 H 1 1.07 0.08 . 1 . . . . . 53 THR MG . 53423 2 64 . 1 . 1 79 79 THR CG2 C 13 22.92 0.08 . 1 . . . . . 53 THR CG2 . 53423 2 65 . 1 . 1 80 80 LEU HD21 H 1 0.92 0.08 . 1 . . . . . 54 LEU MD2 . 53423 2 66 . 1 . 1 80 80 LEU HD22 H 1 0.92 0.08 . 1 . . . . . 54 LEU MD2 . 53423 2 67 . 1 . 1 80 80 LEU HD23 H 1 0.92 0.08 . 1 . . . . . 54 LEU MD2 . 53423 2 68 . 1 . 1 80 80 LEU CD2 C 13 24.61 0.08 . 1 . . . . . 54 LEU CD2 . 53423 2 69 . 1 . 1 84 84 VAL HG11 H 1 0.98 0.08 . 1 . . . . . 58 VAL MG1 . 53423 2 70 . 1 . 1 84 84 VAL HG12 H 1 0.98 0.08 . 1 . . . . . 58 VAL MG1 . 53423 2 71 . 1 . 1 84 84 VAL HG13 H 1 0.98 0.08 . 1 . . . . . 58 VAL MG1 . 53423 2 72 . 1 . 1 84 84 VAL CG1 C 13 21.46 0.08 . 1 . . . . . 58 VAL CG1 . 53423 2 73 . 1 . 1 99 99 LEU HD21 H 1 0.22 0.08 . 1 . . . . . 73 LEU MD2 . 53423 2 74 . 1 . 1 99 99 LEU HD22 H 1 0.22 0.08 . 1 . . . . . 73 LEU MD2 . 53423 2 75 . 1 . 1 99 99 LEU HD23 H 1 0.22 0.08 . 1 . . . . . 73 LEU MD2 . 53423 2 76 . 1 . 1 99 99 LEU CD2 C 13 26.14 0.08 . 1 . . . . . 73 LEU CD2 . 53423 2 77 . 1 . 1 100 100 THR HG21 H 1 0.89 0.08 . 1 . . . . . 74 THR MG . 53423 2 78 . 1 . 1 100 100 THR HG22 H 1 0.89 0.08 . 1 . . . . . 74 THR MG . 53423 2 79 . 1 . 1 100 100 THR HG23 H 1 0.89 0.08 . 1 . . . . . 74 THR MG . 53423 2 80 . 1 . 1 100 100 THR CG2 C 13 20.5 0.08 . 1 . . . . . 74 THR CG2 . 53423 2 81 . 1 . 1 101 101 ILE HD11 H 1 0.1 0.08 . 1 . . . . . 75 ILE MD . 53423 2 82 . 1 . 1 101 101 ILE HD12 H 1 0.1 0.08 . 1 . . . . . 75 ILE MD . 53423 2 83 . 1 . 1 101 101 ILE HD13 H 1 0.1 0.08 . 1 . . . . . 75 ILE MD . 53423 2 84 . 1 . 1 101 101 ILE CD1 C 13 12.45 0.08 . 1 . . . . . 75 ILE CD1 . 53423 2 85 . 1 . 1 104 104 LEU HD21 H 1 0.27 0.08 . 1 . . . . . 78 LEU MD2 . 53423 2 86 . 1 . 1 104 104 LEU HD22 H 1 0.27 0.08 . 1 . . . . . 78 LEU MD2 . 53423 2 87 . 1 . 1 104 104 LEU HD23 H 1 0.27 0.08 . 1 . . . . . 78 LEU MD2 . 53423 2 88 . 1 . 1 104 104 LEU CD2 C 13 25.8 0.08 . 1 . . . . . 78 LEU CD2 . 53423 2 89 . 1 . 1 110 110 ALA HB1 H 1 1.13 0.08 . 1 . . . . . 84 ALA MB . 53423 2 90 . 1 . 1 110 110 ALA HB2 H 1 1.13 0.08 . 1 . . . . . 84 ALA MB . 53423 2 91 . 1 . 1 110 110 ALA HB3 H 1 1.13 0.08 . 1 . . . . . 84 ALA MB . 53423 2 92 . 1 . 1 110 110 ALA CB C 13 20.39 0.08 . 1 . . . . . 84 ALA CB . 53423 2 93 . 1 . 1 115 115 LEU HD21 H 1 -0.42 0.08 . 1 . . . . . 89 LEU MD2 . 53423 2 94 . 1 . 1 115 115 LEU HD22 H 1 -0.42 0.08 . 1 . . . . . 89 LEU MD2 . 53423 2 95 . 1 . 1 115 115 LEU HD23 H 1 -0.42 0.08 . 1 . . . . . 89 LEU MD2 . 53423 2 96 . 1 . 1 115 115 LEU CD2 C 13 25.85 0.08 . 1 . . . . . 89 LEU CD2 . 53423 2 97 . 1 . 1 122 122 THR HG21 H 1 1.71 0.08 . 1 . . . . . 96 THR MG . 53423 2 98 . 1 . 1 122 122 THR HG22 H 1 1.71 0.08 . 1 . . . . . 96 THR MG . 53423 2 99 . 1 . 1 122 122 THR HG23 H 1 1.71 0.08 . 1 . . . . . 96 THR MG . 53423 2 100 . 1 . 1 122 122 THR CG2 C 13 23.13 0.08 . 1 . . . . . 96 THR CG2 . 53423 2 101 . 1 . 1 127 127 THR HG21 H 1 1.06 0.08 . 1 . . . . . 101 THR MG . 53423 2 102 . 1 . 1 127 127 THR HG22 H 1 1.06 0.08 . 1 . . . . . 101 THR MG . 53423 2 103 . 1 . 1 127 127 THR HG23 H 1 1.06 0.08 . 1 . . . . . 101 THR MG . 53423 2 104 . 1 . 1 127 127 THR CG2 C 13 21.42 0.08 . 1 . . . . . 101 THR CG2 . 53423 2 105 . 1 . 1 129 129 VAL HG11 H 1 0.95 0.08 . 1 . . . . . 103 VAL MG1 . 53423 2 106 . 1 . 1 129 129 VAL HG12 H 1 0.95 0.08 . 1 . . . . . 103 VAL MG1 . 53423 2 107 . 1 . 1 129 129 VAL HG13 H 1 0.95 0.08 . 1 . . . . . 103 VAL MG1 . 53423 2 108 . 1 . 1 129 129 VAL CG1 C 13 20.97 0.08 . 1 . . . . . 103 VAL CG1 . 53423 2 109 . 1 . 1 131 131 ILE HD11 H 1 0.41 0.08 . 1 . . . . . 105 ILE MD . 53423 2 110 . 1 . 1 131 131 ILE HD12 H 1 0.41 0.08 . 1 . . . . . 105 ILE MD . 53423 2 111 . 1 . 1 131 131 ILE HD13 H 1 0.41 0.08 . 1 . . . . . 105 ILE MD . 53423 2 112 . 1 . 1 131 131 ILE CD1 C 13 12.84 0.08 . 1 . . . . . 105 ILE CD1 . 53423 2 113 . 1 . 1 134 134 THR HG21 H 1 1.33 0.08 . 1 . . . . . 108 THR MG . 53423 2 114 . 1 . 1 134 134 THR HG22 H 1 1.33 0.08 . 1 . . . . . 108 THR MG . 53423 2 115 . 1 . 1 134 134 THR HG23 H 1 1.33 0.08 . 1 . . . . . 108 THR MG . 53423 2 116 . 1 . 1 134 134 THR CG2 C 13 22.2 0.08 . 1 . . . . . 108 THR CG2 . 53423 2 117 . 1 . 1 135 135 VAL HG11 H 1 1.13 0.08 . 1 . . . . . 109 VAL MG1 . 53423 2 118 . 1 . 1 135 135 VAL HG12 H 1 1.13 0.08 . 1 . . . . . 109 VAL MG1 . 53423 2 119 . 1 . 1 135 135 VAL HG13 H 1 1.13 0.08 . 1 . . . . . 109 VAL MG1 . 53423 2 120 . 1 . 1 135 135 VAL CG1 C 13 20.78 0.08 . 1 . . . . . 109 VAL CG1 . 53423 2 121 . 1 . 1 136 136 ALA HB1 H 1 1.41 0.08 . 1 . . . . . 110 ALA MB . 53423 2 122 . 1 . 1 136 136 ALA HB2 H 1 1.41 0.08 . 1 . . . . . 110 ALA MB . 53423 2 123 . 1 . 1 136 136 ALA HB3 H 1 1.41 0.08 . 1 . . . . . 110 ALA MB . 53423 2 124 . 1 . 1 136 136 ALA CB C 13 20.81 0.08 . 1 . . . . . 110 ALA CB . 53423 2 125 . 1 . 1 137 137 ALA HB1 H 1 1.29 0.08 . 1 . . . . . 111 ALA MB . 53423 2 126 . 1 . 1 137 137 ALA HB2 H 1 1.29 0.08 . 1 . . . . . 111 ALA MB . 53423 2 127 . 1 . 1 137 137 ALA HB3 H 1 1.29 0.08 . 1 . . . . . 111 ALA MB . 53423 2 128 . 1 . 1 137 137 ALA CB C 13 17.56 0.08 . 1 . . . . . 111 ALA CB . 53423 2 129 . 1 . 1 140 140 VAL HG11 H 1 0.68 0.08 . 1 . . . . . 114 VAL MG1 . 53423 2 130 . 1 . 1 140 140 VAL HG12 H 1 0.68 0.08 . 1 . . . . . 114 VAL MG1 . 53423 2 131 . 1 . 1 140 140 VAL HG13 H 1 0.68 0.08 . 1 . . . . . 114 VAL MG1 . 53423 2 132 . 1 . 1 140 140 VAL CG1 C 13 21.66 0.08 . 1 . . . . . 114 VAL CG1 . 53423 2 133 . 1 . 1 142 142 ILE HD11 H 1 1.11 0.08 . 1 . . . . . 116 ILE MD . 53423 2 134 . 1 . 1 142 142 ILE HD12 H 1 1.11 0.08 . 1 . . . . . 116 ILE MD . 53423 2 135 . 1 . 1 142 142 ILE HD13 H 1 1.11 0.08 . 1 . . . . . 116 ILE MD . 53423 2 136 . 1 . 1 142 142 ILE CD1 C 13 15.02 0.08 . 1 . . . . . 116 ILE CD1 . 53423 2 137 . 1 . 1 150 150 LEU HD21 H 1 0.65 0.08 . 1 . . . . . 124 LEU MD2 . 53423 2 138 . 1 . 1 150 150 LEU HD22 H 1 0.65 0.08 . 1 . . . . . 124 LEU MD2 . 53423 2 139 . 1 . 1 150 150 LEU HD23 H 1 0.65 0.08 . 1 . . . . . 124 LEU MD2 . 53423 2 140 . 1 . 1 150 150 LEU CD2 C 13 23.43 0.08 . 1 . . . . . 124 LEU CD2 . 53423 2 141 . 1 . 1 155 155 ALA HB1 H 1 0.44 0.08 . 1 . . . . . 129 ALA MB . 53423 2 142 . 1 . 1 155 155 ALA HB2 H 1 0.44 0.08 . 1 . . . . . 129 ALA MB . 53423 2 143 . 1 . 1 155 155 ALA HB3 H 1 0.44 0.08 . 1 . . . . . 129 ALA MB . 53423 2 144 . 1 . 1 155 155 ALA CB C 13 22.19 0.08 . 1 . . . . . 129 ALA CB . 53423 2 145 . 1 . 1 157 157 VAL HG11 H 1 1.4 0.08 . 1 . . . . . 131 VAL MG1 . 53423 2 146 . 1 . 1 157 157 VAL HG12 H 1 1.4 0.08 . 1 . . . . . 131 VAL MG1 . 53423 2 147 . 1 . 1 157 157 VAL HG13 H 1 1.4 0.08 . 1 . . . . . 131 VAL MG1 . 53423 2 148 . 1 . 1 157 157 VAL CG1 C 13 24.81 0.08 . 1 . . . . . 131 VAL CG1 . 53423 2 149 . 1 . 1 158 158 VAL HG11 H 1 0.8 0.08 . 1 . . . . . 132 VAL MG1 . 53423 2 150 . 1 . 1 158 158 VAL HG12 H 1 0.8 0.08 . 1 . . . . . 132 VAL MG1 . 53423 2 151 . 1 . 1 158 158 VAL HG13 H 1 0.8 0.08 . 1 . . . . . 132 VAL MG1 . 53423 2 152 . 1 . 1 158 158 VAL CG1 C 13 20.1 0.08 . 1 . . . . . 132 VAL CG1 . 53423 2 153 . 1 . 1 160 160 LEU HD21 H 1 0.86 0.08 . 1 . . . . . 134 LEU MD2 . 53423 2 154 . 1 . 1 160 160 LEU HD22 H 1 0.86 0.08 . 1 . . . . . 134 LEU MD2 . 53423 2 155 . 1 . 1 160 160 LEU HD23 H 1 0.86 0.08 . 1 . . . . . 134 LEU MD2 . 53423 2 156 . 1 . 1 160 160 LEU CD2 C 13 25.96 0.08 . 1 . . . . . 134 LEU CD2 . 53423 2 157 . 1 . 1 161 161 LEU HD21 H 1 0.24 0.08 . 1 . . . . . 135 LEU MD2 . 53423 2 158 . 1 . 1 161 161 LEU HD22 H 1 0.24 0.08 . 1 . . . . . 135 LEU MD2 . 53423 2 159 . 1 . 1 161 161 LEU HD23 H 1 0.24 0.08 . 1 . . . . . 135 LEU MD2 . 53423 2 160 . 1 . 1 161 161 LEU CD2 C 13 26.9 0.08 . 1 . . . . . 135 LEU CD2 . 53423 2 161 . 1 . 1 169 169 ALA HB1 H 1 0.89 0.08 . 1 . . . . . 143 ALA MB . 53423 2 162 . 1 . 1 169 169 ALA HB2 H 1 0.89 0.08 . 1 . . . . . 143 ALA MB . 53423 2 163 . 1 . 1 169 169 ALA HB3 H 1 0.89 0.08 . 1 . . . . . 143 ALA MB . 53423 2 164 . 1 . 1 169 169 ALA CB C 13 21.43 0.08 . 1 . . . . . 143 ALA CB . 53423 2 165 . 1 . 1 171 171 VAL HG11 H 1 0.47 0.08 . 1 . . . . . 145 VAL MG1 . 53423 2 166 . 1 . 1 171 171 VAL HG12 H 1 0.47 0.08 . 1 . . . . . 145 VAL MG1 . 53423 2 167 . 1 . 1 171 171 VAL HG13 H 1 0.47 0.08 . 1 . . . . . 145 VAL MG1 . 53423 2 168 . 1 . 1 171 171 VAL CG1 C 13 21.04 0.08 . 1 . . . . . 145 VAL CG1 . 53423 2 169 . 1 . 1 175 175 VAL HG11 H 1 -0.07 0.08 . 1 . . . . . 149 VAL MG1 . 53423 2 170 . 1 . 1 175 175 VAL HG12 H 1 -0.07 0.08 . 1 . . . . . 149 VAL MG1 . 53423 2 171 . 1 . 1 175 175 VAL HG13 H 1 -0.07 0.08 . 1 . . . . . 149 VAL MG1 . 53423 2 172 . 1 . 1 175 175 VAL CG1 C 13 20.67 0.08 . 1 . . . . . 149 VAL CG1 . 53423 2 173 . 1 . 1 178 178 ALA HB1 H 1 1.34 0.08 . 1 . . . . . 152 ALA MB . 53423 2 174 . 1 . 1 178 178 ALA HB2 H 1 1.34 0.08 . 1 . . . . . 152 ALA MB . 53423 2 175 . 1 . 1 178 178 ALA HB3 H 1 1.34 0.08 . 1 . . . . . 152 ALA MB . 53423 2 176 . 1 . 1 178 178 ALA CB C 13 19.41 0.08 . 1 . . . . . 152 ALA CB . 53423 2 177 . 1 . 1 179 179 LEU HD21 H 1 0.87 0.08 . 1 . . . . . 153 LEU MD2 . 53423 2 178 . 1 . 1 179 179 LEU HD22 H 1 0.87 0.08 . 1 . . . . . 153 LEU MD2 . 53423 2 179 . 1 . 1 179 179 LEU HD23 H 1 0.87 0.08 . 1 . . . . . 153 LEU MD2 . 53423 2 180 . 1 . 1 179 179 LEU CD2 C 13 24.72 0.08 . 1 . . . . . 153 LEU CD2 . 53423 2 181 . 1 . 1 188 188 VAL HG11 H 1 1.29 0.08 . 1 . . . . . 162 VAL MG1 . 53423 2 182 . 1 . 1 188 188 VAL HG12 H 1 1.29 0.08 . 1 . . . . . 162 VAL MG1 . 53423 2 183 . 1 . 1 188 188 VAL HG13 H 1 1.29 0.08 . 1 . . . . . 162 VAL MG1 . 53423 2 184 . 1 . 1 188 188 VAL CG1 C 13 20.42 0.08 . 1 . . . . . 162 VAL CG1 . 53423 2 185 . 1 . 1 189 189 THR HG21 H 1 0.77 0.08 . 1 . . . . . 163 THR MG . 53423 2 186 . 1 . 1 189 189 THR HG22 H 1 0.77 0.08 . 1 . . . . . 163 THR MG . 53423 2 187 . 1 . 1 189 189 THR HG23 H 1 0.77 0.08 . 1 . . . . . 163 THR MG . 53423 2 188 . 1 . 1 189 189 THR CG2 C 13 22.96 0.08 . 1 . . . . . 163 THR CG2 . 53423 2 189 . 1 . 1 197 197 THR HG21 H 1 0.76 0.08 . 1 . . . . . 171 THR MG . 53423 2 190 . 1 . 1 197 197 THR HG22 H 1 0.76 0.08 . 1 . . . . . 171 THR MG . 53423 2 191 . 1 . 1 197 197 THR HG23 H 1 0.76 0.08 . 1 . . . . . 171 THR MG . 53423 2 192 . 1 . 1 197 197 THR CG2 C 13 21.21 0.08 . 1 . . . . . 171 THR CG2 . 53423 2 193 . 1 . 1 200 200 LEU HD21 H 1 0.75 0.08 . 1 . . . . . 174 LEU MD2 . 53423 2 194 . 1 . 1 200 200 LEU HD22 H 1 0.75 0.08 . 1 . . . . . 174 LEU MD2 . 53423 2 195 . 1 . 1 200 200 LEU HD23 H 1 0.75 0.08 . 1 . . . . . 174 LEU MD2 . 53423 2 196 . 1 . 1 200 200 LEU CD2 C 13 25.63 0.08 . 1 . . . . . 174 LEU CD2 . 53423 2 197 . 1 . 1 203 203 THR HG21 H 1 0.94 0.08 . 1 . . . . . 177 THR MG . 53423 2 198 . 1 . 1 203 203 THR HG22 H 1 0.94 0.08 . 1 . . . . . 177 THR MG . 53423 2 199 . 1 . 1 203 203 THR HG23 H 1 0.94 0.08 . 1 . . . . . 177 THR MG . 53423 2 200 . 1 . 1 203 203 THR CG2 C 13 20.89 0.08 . 1 . . . . . 177 THR CG2 . 53423 2 201 . 1 . 1 204 204 LEU HD21 H 1 0.31 0.08 . 1 . . . . . 178 LEU MD2 . 53423 2 202 . 1 . 1 204 204 LEU HD22 H 1 0.31 0.08 . 1 . . . . . 178 LEU MD2 . 53423 2 203 . 1 . 1 204 204 LEU HD23 H 1 0.31 0.08 . 1 . . . . . 178 LEU MD2 . 53423 2 204 . 1 . 1 204 204 LEU CD2 C 13 25.4 0.08 . 1 . . . . . 178 LEU CD2 . 53423 2 205 . 1 . 1 206 206 LEU HD21 H 1 0.99 0.08 . 1 . . . . . 180 LEU MD2 . 53423 2 206 . 1 . 1 206 206 LEU HD22 H 1 0.99 0.08 . 1 . . . . . 180 LEU MD2 . 53423 2 207 . 1 . 1 206 206 LEU HD23 H 1 0.99 0.08 . 1 . . . . . 180 LEU MD2 . 53423 2 208 . 1 . 1 206 206 LEU CD2 C 13 24.17 0.08 . 1 . . . . . 180 LEU CD2 . 53423 2 209 . 1 . 1 209 209 ALA HB1 H 1 1.38 0.08 . 1 . . . . . 183 ALA MB . 53423 2 210 . 1 . 1 209 209 ALA HB2 H 1 1.38 0.08 . 1 . . . . . 183 ALA MB . 53423 2 211 . 1 . 1 209 209 ALA HB3 H 1 1.38 0.08 . 1 . . . . . 183 ALA MB . 53423 2 212 . 1 . 1 209 209 ALA CB C 13 18.11 0.08 . 1 . . . . . 183 ALA CB . 53423 2 213 . 1 . 1 216 216 VAL HG11 H 1 0.78 0.08 . 1 . . . . . 190 VAL MG1 . 53423 2 214 . 1 . 1 216 216 VAL HG12 H 1 0.78 0.08 . 1 . . . . . 190 VAL MG1 . 53423 2 215 . 1 . 1 216 216 VAL HG13 H 1 0.78 0.08 . 1 . . . . . 190 VAL MG1 . 53423 2 216 . 1 . 1 216 216 VAL CG1 C 13 21.07 0.08 . 1 . . . . . 190 VAL CG1 . 53423 2 217 . 1 . 1 218 218 ALA HB1 H 1 1.13 0.08 . 1 . . . . . 192 ALA MB . 53423 2 218 . 1 . 1 218 218 ALA HB2 H 1 1.13 0.08 . 1 . . . . . 192 ALA MB . 53423 2 219 . 1 . 1 218 218 ALA HB3 H 1 1.13 0.08 . 1 . . . . . 192 ALA MB . 53423 2 220 . 1 . 1 218 218 ALA CB C 13 23.2 0.08 . 1 . . . . . 192 ALA CB . 53423 2 221 . 1 . 1 221 221 VAL HG11 H 1 0.56 0.08 . 1 . . . . . 195 VAL MG1 . 53423 2 222 . 1 . 1 221 221 VAL HG12 H 1 0.56 0.08 . 1 . . . . . 195 VAL MG1 . 53423 2 223 . 1 . 1 221 221 VAL HG13 H 1 0.56 0.08 . 1 . . . . . 195 VAL MG1 . 53423 2 224 . 1 . 1 221 221 VAL CG1 C 13 20.9 0.08 . 1 . . . . . 195 VAL CG1 . 53423 2 225 . 1 . 1 226 226 LEU HD21 H 1 1.01 0.08 . 1 . . . . . 200 LEU MD2 . 53423 2 226 . 1 . 1 226 226 LEU HD22 H 1 1.01 0.08 . 1 . . . . . 200 LEU MD2 . 53423 2 227 . 1 . 1 226 226 LEU HD23 H 1 1.01 0.08 . 1 . . . . . 200 LEU MD2 . 53423 2 228 . 1 . 1 226 226 LEU CD2 C 13 23.29 0.08 . 1 . . . . . 200 LEU CD2 . 53423 2 229 . 1 . 1 230 230 VAL HG11 H 1 0.85 0.08 . 1 . . . . . 204 VAL MG1 . 53423 2 230 . 1 . 1 230 230 VAL HG12 H 1 0.85 0.08 . 1 . . . . . 204 VAL MG1 . 53423 2 231 . 1 . 1 230 230 VAL HG13 H 1 0.85 0.08 . 1 . . . . . 204 VAL MG1 . 53423 2 232 . 1 . 1 230 230 VAL CG1 C 13 20.71 0.08 . 1 . . . . . 204 VAL CG1 . 53423 2 233 . 1 . 1 231 231 THR HG21 H 1 0.94 0.08 . 1 . . . . . 205 THR MG . 53423 2 234 . 1 . 1 231 231 THR HG22 H 1 0.94 0.08 . 1 . . . . . 205 THR MG . 53423 2 235 . 1 . 1 231 231 THR HG23 H 1 0.94 0.08 . 1 . . . . . 205 THR MG . 53423 2 236 . 1 . 1 231 231 THR CG2 C 13 21.59 0.08 . 1 . . . . . 205 THR CG2 . 53423 2 stop_ save_