################################### # 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 51751 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BiP methyl assignment' _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' . . . 51751 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 . . 51751 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 VAL HG11 H 1 0.49146 0.000 . 1 . . . . . 27 VAL MG1 . 51751 1 2 . 1 . 1 9 9 VAL HG12 H 1 0.49146 0.000 . 1 . . . . . 27 VAL MG1 . 51751 1 3 . 1 . 1 9 9 VAL HG13 H 1 0.49146 0.000 . 1 . . . . . 27 VAL MG1 . 51751 1 4 . 1 . 1 9 9 VAL HG21 H 1 0.74565 0.000 . 1 . . . . . 27 VAL MG2 . 51751 1 5 . 1 . 1 9 9 VAL HG22 H 1 0.74565 0.000 . 1 . . . . . 27 VAL MG2 . 51751 1 6 . 1 . 1 9 9 VAL HG23 H 1 0.74565 0.000 . 1 . . . . . 27 VAL MG2 . 51751 1 7 . 1 . 1 9 9 VAL CG1 C 13 20.89375 0.000 . 1 . . . . . 27 VAL CG1 . 51751 1 8 . 1 . 1 9 9 VAL CG2 C 13 19.17539 0.000 . 1 . . . . . 27 VAL CG2 . 51751 1 9 . 1 . 1 12 12 VAL HG11 H 1 1.00556 0.000 . 1 . . . . . 30 VAL MG1 . 51751 1 10 . 1 . 1 12 12 VAL HG12 H 1 1.00556 0.000 . 1 . . . . . 30 VAL MG1 . 51751 1 11 . 1 . 1 12 12 VAL HG13 H 1 1.00556 0.000 . 1 . . . . . 30 VAL MG1 . 51751 1 12 . 1 . 1 12 12 VAL HG21 H 1 0.96096 0.000 . 1 . . . . . 30 VAL MG2 . 51751 1 13 . 1 . 1 12 12 VAL HG22 H 1 0.96096 0.000 . 1 . . . . . 30 VAL MG2 . 51751 1 14 . 1 . 1 12 12 VAL HG23 H 1 0.96096 0.000 . 1 . . . . . 30 VAL MG2 . 51751 1 15 . 1 . 1 12 12 VAL CG1 C 13 21.23496 0.000 . 1 . . . . . 30 VAL CG1 . 51751 1 16 . 1 . 1 12 12 VAL CG2 C 13 21.74499 0.000 . 1 . . . . . 30 VAL CG2 . 51751 1 17 . 1 . 1 13 13 VAL HG11 H 1 1.06249 0.000 . 1 . . . . . 31 VAL MG1 . 51751 1 18 . 1 . 1 13 13 VAL HG12 H 1 1.06249 0.000 . 1 . . . . . 31 VAL MG1 . 51751 1 19 . 1 . 1 13 13 VAL HG13 H 1 1.06249 0.000 . 1 . . . . . 31 VAL MG1 . 51751 1 20 . 1 . 1 13 13 VAL HG21 H 1 1.057 0.000 . 1 . . . . . 31 VAL MG2 . 51751 1 21 . 1 . 1 13 13 VAL HG22 H 1 1.057 0.000 . 1 . . . . . 31 VAL MG2 . 51751 1 22 . 1 . 1 13 13 VAL HG23 H 1 1.057 0.000 . 1 . . . . . 31 VAL MG2 . 51751 1 23 . 1 . 1 13 13 VAL CG1 C 13 22.0866 0.000 . 1 . . . . . 31 VAL CG1 . 51751 1 24 . 1 . 1 13 13 VAL CG2 C 13 21.81681 0.000 . 1 . . . . . 31 VAL CG2 . 51751 1 25 . 1 . 1 15 15 ILE HD11 H 1 0.60847 0.000 . 1 . . . . . 33 ILE MD . 51751 1 26 . 1 . 1 15 15 ILE HD12 H 1 0.60847 0.000 . 1 . . . . . 33 ILE MD . 51751 1 27 . 1 . 1 15 15 ILE HD13 H 1 0.60847 0.000 . 1 . . . . . 33 ILE MD . 51751 1 28 . 1 . 1 15 15 ILE CD1 C 13 13.94193 0.000 . 1 . . . . . 33 ILE CD1 . 51751 1 29 . 1 . 1 26 26 VAL HG11 H 1 1.0622 0.000 . 1 . . . . . 44 VAL MG1 . 51751 1 30 . 1 . 1 26 26 VAL HG12 H 1 1.0622 0.000 . 1 . . . . . 44 VAL MG1 . 51751 1 31 . 1 . 1 26 26 VAL HG13 H 1 1.0622 0.000 . 1 . . . . . 44 VAL MG1 . 51751 1 32 . 1 . 1 26 26 VAL HG21 H 1 1.06559 0.000 . 1 . . . . . 44 VAL MG2 . 51751 1 33 . 1 . 1 26 26 VAL HG22 H 1 1.06559 0.000 . 1 . . . . . 44 VAL MG2 . 51751 1 34 . 1 . 1 26 26 VAL HG23 H 1 1.06559 0.000 . 1 . . . . . 44 VAL MG2 . 51751 1 35 . 1 . 1 26 26 VAL CG1 C 13 20.99658 0.000 . 1 . . . . . 44 VAL CG1 . 51751 1 36 . 1 . 1 26 26 VAL CG2 C 13 21.18802 0.000 . 1 . . . . . 44 VAL CG2 . 51751 1 37 . 1 . 1 32 32 VAL HG11 H 1 0.20695 0.000 . 1 . . . . . 50 VAL MG1 . 51751 1 38 . 1 . 1 32 32 VAL HG12 H 1 0.20695 0.000 . 1 . . . . . 50 VAL MG1 . 51751 1 39 . 1 . 1 32 32 VAL HG13 H 1 0.20695 0.000 . 1 . . . . . 50 VAL MG1 . 51751 1 40 . 1 . 1 32 32 VAL HG21 H 1 0.60119 0.000 . 1 . . . . . 50 VAL MG2 . 51751 1 41 . 1 . 1 32 32 VAL HG22 H 1 0.60119 0.000 . 1 . . . . . 50 VAL MG2 . 51751 1 42 . 1 . 1 32 32 VAL HG23 H 1 0.60119 0.000 . 1 . . . . . 50 VAL MG2 . 51751 1 43 . 1 . 1 32 32 VAL CG1 C 13 21.40166 0.000 . 1 . . . . . 50 VAL CG1 . 51751 1 44 . 1 . 1 32 32 VAL CG2 C 13 23.28113 0.000 . 1 . . . . . 50 VAL CG2 . 51751 1 45 . 1 . 1 34 34 ILE HD11 H 1 0.59223 0.000 . 1 . . . . . 52 ILE MD . 51751 1 46 . 1 . 1 34 34 ILE HD12 H 1 0.59223 0.000 . 1 . . . . . 52 ILE MD . 51751 1 47 . 1 . 1 34 34 ILE HD13 H 1 0.59223 0.000 . 1 . . . . . 52 ILE MD . 51751 1 48 . 1 . 1 34 34 ILE CD1 C 13 8.05748 0.000 . 1 . . . . . 52 ILE CD1 . 51751 1 49 . 1 . 1 35 35 ILE HD11 H 1 0.65739 0.000 . 1 . . . . . 53 ILE MD . 51751 1 50 . 1 . 1 35 35 ILE HD12 H 1 0.65739 0.000 . 1 . . . . . 53 ILE MD . 51751 1 51 . 1 . 1 35 35 ILE HD13 H 1 0.65739 0.000 . 1 . . . . . 53 ILE MD . 51751 1 52 . 1 . 1 35 35 ILE CD1 C 13 13.3323 0.000 . 1 . . . . . 53 ILE CD1 . 51751 1 53 . 1 . 1 48 48 VAL HG11 H 1 0.62546 0.000 . 1 . . . . . 66 VAL MG1 . 51751 1 54 . 1 . 1 48 48 VAL HG12 H 1 0.62546 0.000 . 1 . . . . . 66 VAL MG1 . 51751 1 55 . 1 . 1 48 48 VAL HG13 H 1 0.62546 0.000 . 1 . . . . . 66 VAL MG1 . 51751 1 56 . 1 . 1 48 48 VAL HG21 H 1 0.80524 0.000 . 1 . . . . . 66 VAL MG2 . 51751 1 57 . 1 . 1 48 48 VAL HG22 H 1 0.80524 0.000 . 1 . . . . . 66 VAL MG2 . 51751 1 58 . 1 . 1 48 48 VAL HG23 H 1 0.80524 0.000 . 1 . . . . . 66 VAL MG2 . 51751 1 59 . 1 . 1 48 48 VAL CG1 C 13 21.36943 0.000 . 1 . . . . . 66 VAL CG1 . 51751 1 60 . 1 . 1 48 48 VAL CG2 C 13 21.96567 0.000 . 1 . . . . . 66 VAL CG2 . 51751 1 61 . 1 . 1 58 58 ILE HD11 H 1 0.83651 0.000 . 1 . . . . . 76 ILE MD . 51751 1 62 . 1 . 1 58 58 ILE HD12 H 1 0.83651 0.000 . 1 . . . . . 76 ILE MD . 51751 1 63 . 1 . 1 58 58 ILE HD13 H 1 0.83651 0.000 . 1 . . . . . 76 ILE MD . 51751 1 64 . 1 . 1 58 58 ILE CD1 C 13 14.01939 0.000 . 1 . . . . . 76 ILE CD1 . 51751 1 65 . 1 . 1 74 74 VAL HG11 H 1 0.23795 0.000 . 1 . . . . . 92 VAL MG1 . 51751 1 66 . 1 . 1 74 74 VAL HG12 H 1 0.23795 0.000 . 1 . . . . . 92 VAL MG1 . 51751 1 67 . 1 . 1 74 74 VAL HG13 H 1 0.23795 0.000 . 1 . . . . . 92 VAL MG1 . 51751 1 68 . 1 . 1 74 74 VAL HG21 H 1 0.41443 0.000 . 1 . . . . . 92 VAL MG2 . 51751 1 69 . 1 . 1 74 74 VAL HG22 H 1 0.41443 0.000 . 1 . . . . . 92 VAL MG2 . 51751 1 70 . 1 . 1 74 74 VAL HG23 H 1 0.41443 0.000 . 1 . . . . . 92 VAL MG2 . 51751 1 71 . 1 . 1 74 74 VAL CG1 C 13 22.82372 0.000 . 1 . . . . . 92 VAL CG1 . 51751 1 72 . 1 . 1 74 74 VAL CG2 C 13 20.99662 0.000 . 1 . . . . . 92 VAL CG2 . 51751 1 73 . 1 . 1 90 90 VAL HG21 H 1 1.127 0.000 . 1 . . . . . 108 VAL MG2 . 51751 1 74 . 1 . 1 90 90 VAL HG22 H 1 1.127 0.000 . 1 . . . . . 108 VAL MG2 . 51751 1 75 . 1 . 1 90 90 VAL HG23 H 1 1.127 0.000 . 1 . . . . . 108 VAL MG2 . 51751 1 76 . 1 . 1 90 90 VAL CG2 C 13 24.84697 0.000 . 1 . . . . . 108 VAL CG2 . 51751 1 77 . 1 . 1 94 94 ILE HD11 H 1 0.54802 0.000 . 1 . . . . . 112 ILE MD . 51751 1 78 . 1 . 1 94 94 ILE HD12 H 1 0.54802 0.000 . 1 . . . . . 112 ILE MD . 51751 1 79 . 1 . 1 94 94 ILE HD13 H 1 0.54802 0.000 . 1 . . . . . 112 ILE MD . 51751 1 80 . 1 . 1 94 94 ILE CD1 C 13 14.28825 0.000 . 1 . . . . . 112 ILE CD1 . 51751 1 81 . 1 . 1 101 101 VAL HG11 H 1 1.17651 0.000 . 1 . . . . . 119 VAL MG1 . 51751 1 82 . 1 . 1 101 101 VAL HG12 H 1 1.17651 0.000 . 1 . . . . . 119 VAL MG1 . 51751 1 83 . 1 . 1 101 101 VAL HG13 H 1 1.17651 0.000 . 1 . . . . . 119 VAL MG1 . 51751 1 84 . 1 . 1 101 101 VAL HG21 H 1 1.06423 0.000 . 1 . . . . . 119 VAL MG2 . 51751 1 85 . 1 . 1 101 101 VAL HG22 H 1 1.06423 0.000 . 1 . . . . . 119 VAL MG2 . 51751 1 86 . 1 . 1 101 101 VAL HG23 H 1 1.06423 0.000 . 1 . . . . . 119 VAL MG2 . 51751 1 87 . 1 . 1 101 101 VAL CG1 C 13 22.75054 0.000 . 1 . . . . . 119 VAL CG1 . 51751 1 88 . 1 . 1 101 101 VAL CG2 C 13 22.57568 0.000 . 1 . . . . . 119 VAL CG2 . 51751 1 89 . 1 . 1 102 102 VAL HG11 H 1 0.64123 0.000 . 1 . . . . . 120 VAL MG1 . 51751 1 90 . 1 . 1 102 102 VAL HG12 H 1 0.64123 0.000 . 1 . . . . . 120 VAL MG1 . 51751 1 91 . 1 . 1 102 102 VAL HG13 H 1 0.64123 0.000 . 1 . . . . . 120 VAL MG1 . 51751 1 92 . 1 . 1 102 102 VAL HG21 H 1 0.65301 0.000 . 1 . . . . . 120 VAL MG2 . 51751 1 93 . 1 . 1 102 102 VAL HG22 H 1 0.65301 0.000 . 1 . . . . . 120 VAL MG2 . 51751 1 94 . 1 . 1 102 102 VAL HG23 H 1 0.65301 0.000 . 1 . . . . . 120 VAL MG2 . 51751 1 95 . 1 . 1 102 102 VAL CG1 C 13 21.12773 0.000 . 1 . . . . . 120 VAL CG1 . 51751 1 96 . 1 . 1 102 102 VAL CG2 C 13 18.09133 0.000 . 1 . . . . . 120 VAL CG2 . 51751 1 97 . 1 . 1 110 110 ILE HD11 H 1 0.80979 0.000 . 1 . . . . . 128 ILE MD . 51751 1 98 . 1 . 1 110 110 ILE HD12 H 1 0.80979 0.000 . 1 . . . . . 128 ILE MD . 51751 1 99 . 1 . 1 110 110 ILE HD13 H 1 0.80979 0.000 . 1 . . . . . 128 ILE MD . 51751 1 100 . 1 . 1 110 110 ILE CD1 C 13 14.97266 0.000 . 1 . . . . . 128 ILE CD1 . 51751 1 101 . 1 . 1 112 112 VAL HG11 H 1 0.87054 0.000 . 1 . . . . . 130 VAL MG1 . 51751 1 102 . 1 . 1 112 112 VAL HG12 H 1 0.87054 0.000 . 1 . . . . . 130 VAL MG1 . 51751 1 103 . 1 . 1 112 112 VAL HG13 H 1 0.87054 0.000 . 1 . . . . . 130 VAL MG1 . 51751 1 104 . 1 . 1 112 112 VAL HG21 H 1 0.40706 0.000 . 1 . . . . . 130 VAL MG2 . 51751 1 105 . 1 . 1 112 112 VAL HG22 H 1 0.40706 0.000 . 1 . . . . . 130 VAL MG2 . 51751 1 106 . 1 . 1 112 112 VAL HG23 H 1 0.40706 0.000 . 1 . . . . . 130 VAL MG2 . 51751 1 107 . 1 . 1 112 112 VAL CG1 C 13 22.11589 0.000 . 1 . . . . . 130 VAL CG1 . 51751 1 108 . 1 . 1 112 112 VAL CG2 C 13 18.19793 0.000 . 1 . . . . . 130 VAL CG2 . 51751 1 109 . 1 . 1 114 114 ILE HD11 H 1 0.79373 0.000 . 1 . . . . . 132 ILE MD . 51751 1 110 . 1 . 1 114 114 ILE HD12 H 1 0.79373 0.000 . 1 . . . . . 132 ILE MD . 51751 1 111 . 1 . 1 114 114 ILE HD13 H 1 0.79373 0.000 . 1 . . . . . 132 ILE MD . 51751 1 112 . 1 . 1 114 114 ILE CD1 C 13 14.30426 0.000 . 1 . . . . . 132 ILE CD1 . 51751 1 113 . 1 . 1 127 127 ILE HD11 H 1 0.33518 0.000 . 1 . . . . . 145 ILE MD . 51751 1 114 . 1 . 1 127 127 ILE HD12 H 1 0.33518 0.000 . 1 . . . . . 145 ILE MD . 51751 1 115 . 1 . 1 127 127 ILE HD13 H 1 0.33518 0.000 . 1 . . . . . 145 ILE MD . 51751 1 116 . 1 . 1 127 127 ILE CD1 C 13 7.22951 0.000 . 1 . . . . . 145 ILE CD1 . 51751 1 117 . 1 . 1 130 130 MET HE1 H 1 1.68218 0.000 . 1 . . . . . 148 MET ME . 51751 1 118 . 1 . 1 130 130 MET HE2 H 1 1.68218 0.000 . 1 . . . . . 148 MET ME . 51751 1 119 . 1 . 1 130 130 MET HE3 H 1 1.68218 0.000 . 1 . . . . . 148 MET ME . 51751 1 120 . 1 . 1 130 130 MET CE C 13 18.17257 0.000 . 1 . . . . . 148 MET CE . 51751 1 121 . 1 . 1 135 135 MET HE1 H 1 1.99892 0.000 . 1 . . . . . 153 MET ME . 51751 1 122 . 1 . 1 135 135 MET HE2 H 1 1.99892 0.000 . 1 . . . . . 153 MET ME . 51751 1 123 . 1 . 1 135 135 MET HE3 H 1 1.99892 0.000 . 1 . . . . . 153 MET ME . 51751 1 124 . 1 . 1 135 135 MET CE C 13 16.82697 0.000 . 1 . . . . . 153 MET CE . 51751 1 125 . 1 . 1 152 152 VAL HG21 H 1 0.84926 0.000 . 1 . . . . . 170 VAL MG2 . 51751 1 126 . 1 . 1 152 152 VAL HG22 H 1 0.84926 0.000 . 1 . . . . . 170 VAL MG2 . 51751 1 127 . 1 . 1 152 152 VAL HG23 H 1 0.84926 0.000 . 1 . . . . . 170 VAL MG2 . 51751 1 128 . 1 . 1 152 152 VAL CG2 C 13 22.71299 0.000 . 1 . . . . . 170 VAL CG2 . 51751 1 129 . 1 . 1 154 154 VAL HG21 H 1 0.57638 0.000 . 1 . . . . . 172 VAL MG2 . 51751 1 130 . 1 . 1 154 154 VAL HG22 H 1 0.57638 0.000 . 1 . . . . . 172 VAL MG2 . 51751 1 131 . 1 . 1 154 154 VAL HG23 H 1 0.57638 0.000 . 1 . . . . . 172 VAL MG2 . 51751 1 132 . 1 . 1 154 154 VAL CG2 C 13 17.93756 0.000 . 1 . . . . . 172 VAL CG2 . 51751 1 133 . 1 . 1 172 172 ILE HD11 H 1 0.78211 0.000 . 1 . . . . . 190 ILE MD . 51751 1 134 . 1 . 1 172 172 ILE HD12 H 1 0.78211 0.000 . 1 . . . . . 190 ILE MD . 51751 1 135 . 1 . 1 172 172 ILE HD13 H 1 0.78211 0.000 . 1 . . . . . 190 ILE MD . 51751 1 136 . 1 . 1 172 172 ILE CD1 C 13 13.65467 0.000 . 1 . . . . . 190 ILE CD1 . 51751 1 137 . 1 . 1 177 177 VAL HG11 H 1 0.84163 0.000 . 1 . . . . . 195 VAL MG1 . 51751 1 138 . 1 . 1 177 177 VAL HG12 H 1 0.84163 0.000 . 1 . . . . . 195 VAL MG1 . 51751 1 139 . 1 . 1 177 177 VAL HG13 H 1 0.84163 0.000 . 1 . . . . . 195 VAL MG1 . 51751 1 140 . 1 . 1 177 177 VAL HG21 H 1 0.94741 0.000 . 1 . . . . . 195 VAL MG2 . 51751 1 141 . 1 . 1 177 177 VAL HG22 H 1 0.94741 0.000 . 1 . . . . . 195 VAL MG2 . 51751 1 142 . 1 . 1 177 177 VAL HG23 H 1 0.94741 0.000 . 1 . . . . . 195 VAL MG2 . 51751 1 143 . 1 . 1 177 177 VAL CG1 C 13 22.31135 0.000 . 1 . . . . . 195 VAL CG1 . 51751 1 144 . 1 . 1 177 177 VAL CG2 C 13 21.68279 0.000 . 1 . . . . . 195 VAL CG2 . 51751 1 145 . 1 . 1 178 178 MET HE1 H 1 2.12662 0.000 . 1 . . . . . 196 MET ME . 51751 1 146 . 1 . 1 178 178 MET HE2 H 1 2.12662 0.000 . 1 . . . . . 196 MET ME . 51751 1 147 . 1 . 1 178 178 MET HE3 H 1 2.12662 0.000 . 1 . . . . . 196 MET ME . 51751 1 148 . 1 . 1 178 178 MET CE C 13 17.27173 0.000 . 1 . . . . . 196 MET CE . 51751 1 149 . 1 . 1 180 180 ILE HD11 H 1 0.79794 0.000 . 1 . . . . . 198 ILE MD . 51751 1 150 . 1 . 1 180 180 ILE HD12 H 1 0.79794 0.000 . 1 . . . . . 198 ILE MD . 51751 1 151 . 1 . 1 180 180 ILE HD13 H 1 0.79794 0.000 . 1 . . . . . 198 ILE MD . 51751 1 152 . 1 . 1 180 180 ILE CD1 C 13 12.77619 0.000 . 1 . . . . . 198 ILE CD1 . 51751 1 153 . 1 . 1 181 181 ILE HD11 H 1 0.5741 0.000 . 1 . . . . . 199 ILE MD . 51751 1 154 . 1 . 1 181 181 ILE HD12 H 1 0.5741 0.000 . 1 . . . . . 199 ILE MD . 51751 1 155 . 1 . 1 181 181 ILE HD13 H 1 0.5741 0.000 . 1 . . . . . 199 ILE MD . 51751 1 156 . 1 . 1 181 181 ILE CD1 C 13 13.16236 0.000 . 1 . . . . . 199 ILE CD1 . 51751 1 157 . 1 . 1 189 189 ILE HD11 H 1 0.66246 0.000 . 1 . . . . . 207 ILE MD . 51751 1 158 . 1 . 1 189 189 ILE HD12 H 1 0.66246 0.000 . 1 . . . . . 207 ILE MD . 51751 1 159 . 1 . 1 189 189 ILE HD13 H 1 0.66246 0.000 . 1 . . . . . 207 ILE MD . 51751 1 160 . 1 . 1 189 189 ILE CD1 C 13 13.66533 0.000 . 1 . . . . . 207 ILE CD1 . 51751 1 161 . 1 . 1 202 202 ILE HD11 H 1 0.79807 0.000 . 1 . . . . . 220 ILE MD . 51751 1 162 . 1 . 1 202 202 ILE HD12 H 1 0.79807 0.000 . 1 . . . . . 220 ILE MD . 51751 1 163 . 1 . 1 202 202 ILE HD13 H 1 0.79807 0.000 . 1 . . . . . 220 ILE MD . 51751 1 164 . 1 . 1 202 202 ILE CD1 C 13 14.18615 0.000 . 1 . . . . . 220 ILE CD1 . 51751 1 165 . 1 . 1 204 204 VAL HG21 H 1 0.8274 0.000 . 1 . . . . . 222 VAL MG2 . 51751 1 166 . 1 . 1 204 204 VAL HG22 H 1 0.8274 0.000 . 1 . . . . . 222 VAL MG2 . 51751 1 167 . 1 . 1 204 204 VAL HG23 H 1 0.8274 0.000 . 1 . . . . . 222 VAL MG2 . 51751 1 168 . 1 . 1 204 204 VAL CG2 C 13 20.12964 0.000 . 1 . . . . . 222 VAL CG2 . 51751 1 169 . 1 . 1 214 214 VAL HG11 H 1 0.76824 0.000 . 1 . . . . . 232 VAL MG1 . 51751 1 170 . 1 . 1 214 214 VAL HG12 H 1 0.76824 0.000 . 1 . . . . . 232 VAL MG1 . 51751 1 171 . 1 . 1 214 214 VAL HG13 H 1 0.76824 0.000 . 1 . . . . . 232 VAL MG1 . 51751 1 172 . 1 . 1 214 214 VAL HG21 H 1 0.52513 0.000 . 1 . . . . . 232 VAL MG2 . 51751 1 173 . 1 . 1 214 214 VAL HG22 H 1 0.52513 0.000 . 1 . . . . . 232 VAL MG2 . 51751 1 174 . 1 . 1 214 214 VAL HG23 H 1 0.52513 0.000 . 1 . . . . . 232 VAL MG2 . 51751 1 175 . 1 . 1 214 214 VAL CG1 C 13 22.40752 0.000 . 1 . . . . . 232 VAL CG1 . 51751 1 176 . 1 . 1 214 214 VAL CG2 C 13 23.30436 0.000 . 1 . . . . . 232 VAL CG2 . 51751 1 177 . 1 . 1 219 219 ILE HD11 H 1 0.1683 0.000 . 1 . . . . . 237 ILE MD . 51751 1 178 . 1 . 1 219 219 ILE HD12 H 1 0.1683 0.000 . 1 . . . . . 237 ILE MD . 51751 1 179 . 1 . 1 219 219 ILE HD13 H 1 0.1683 0.000 . 1 . . . . . 237 ILE MD . 51751 1 180 . 1 . 1 219 219 ILE CD1 C 13 13.89931 0.000 . 1 . . . . . 237 ILE CD1 . 51751 1 181 . 1 . 1 223 223 VAL HG21 H 1 0.97052 0.000 . 1 . . . . . 241 VAL MG2 . 51751 1 182 . 1 . 1 223 223 VAL HG22 H 1 0.97052 0.000 . 1 . . . . . 241 VAL MG2 . 51751 1 183 . 1 . 1 223 223 VAL HG23 H 1 0.97052 0.000 . 1 . . . . . 241 VAL MG2 . 51751 1 184 . 1 . 1 223 223 VAL CG2 C 13 20.84924 0.000 . 1 . . . . . 241 VAL CG2 . 51751 1 185 . 1 . 1 244 244 VAL HG11 H 1 1.21216 0.000 . 1 . . . . . 262 VAL MG1 . 51751 1 186 . 1 . 1 244 244 VAL HG12 H 1 1.21216 0.000 . 1 . . . . . 262 VAL MG1 . 51751 1 187 . 1 . 1 244 244 VAL HG13 H 1 1.21216 0.000 . 1 . . . . . 262 VAL MG1 . 51751 1 188 . 1 . 1 244 244 VAL HG21 H 1 1.35112 0.000 . 1 . . . . . 262 VAL MG2 . 51751 1 189 . 1 . 1 244 244 VAL HG22 H 1 1.35112 0.000 . 1 . . . . . 262 VAL MG2 . 51751 1 190 . 1 . 1 244 244 VAL HG23 H 1 1.35112 0.000 . 1 . . . . . 262 VAL MG2 . 51751 1 191 . 1 . 1 244 244 VAL CG1 C 13 24.98711 0.000 . 1 . . . . . 262 VAL CG1 . 51751 1 192 . 1 . 1 244 244 VAL CG2 C 13 23.338 0.000 . 1 . . . . . 262 VAL CG2 . 51751 1 193 . 1 . 1 245 245 MET HE1 H 1 2.18038 0.000 . 1 . . . . . 263 MET ME . 51751 1 194 . 1 . 1 245 245 MET HE2 H 1 2.18038 0.000 . 1 . . . . . 263 MET ME . 51751 1 195 . 1 . 1 245 245 MET HE3 H 1 2.18038 0.000 . 1 . . . . . 263 MET ME . 51751 1 196 . 1 . 1 245 245 MET CE C 13 17.22027 0.000 . 1 . . . . . 263 MET CE . 51751 1 197 . 1 . 1 249 249 ILE HD11 H 1 0.8297 0.000 . 1 . . . . . 267 ILE MD . 51751 1 198 . 1 . 1 249 249 ILE HD12 H 1 0.8297 0.000 . 1 . . . . . 267 ILE MD . 51751 1 199 . 1 . 1 249 249 ILE HD13 H 1 0.8297 0.000 . 1 . . . . . 267 ILE MD . 51751 1 200 . 1 . 1 249 249 ILE CD1 C 13 13.23819 0.000 . 1 . . . . . 267 ILE CD1 . 51751 1 201 . 1 . 1 260 260 VAL HG11 H 1 0.19907 0.000 . 1 . . . . . 278 VAL MG1 . 51751 1 202 . 1 . 1 260 260 VAL HG12 H 1 0.19907 0.000 . 1 . . . . . 278 VAL MG1 . 51751 1 203 . 1 . 1 260 260 VAL HG13 H 1 0.19907 0.000 . 1 . . . . . 278 VAL MG1 . 51751 1 204 . 1 . 1 260 260 VAL HG21 H 1 0.71609 0.000 . 1 . . . . . 278 VAL MG2 . 51751 1 205 . 1 . 1 260 260 VAL HG22 H 1 0.71609 0.000 . 1 . . . . . 278 VAL MG2 . 51751 1 206 . 1 . 1 260 260 VAL HG23 H 1 0.71609 0.000 . 1 . . . . . 278 VAL MG2 . 51751 1 207 . 1 . 1 260 260 VAL CG1 C 13 20.4473 0.000 . 1 . . . . . 278 VAL CG1 . 51751 1 208 . 1 . 1 260 260 VAL CG2 C 13 18.98576 0.000 . 1 . . . . . 278 VAL CG2 . 51751 1 209 . 1 . 1 267 267 VAL HG21 H 1 1.07156 0.000 . 1 . . . . . 285 VAL MG2 . 51751 1 210 . 1 . 1 267 267 VAL HG22 H 1 1.07156 0.000 . 1 . . . . . 285 VAL MG2 . 51751 1 211 . 1 . 1 267 267 VAL HG23 H 1 1.07156 0.000 . 1 . . . . . 285 VAL MG2 . 51751 1 212 . 1 . 1 267 267 VAL CG2 C 13 23.65517 0.000 . 1 . . . . . 285 VAL CG2 . 51751 1 213 . 1 . 1 289 289 ILE HD11 H 1 0.61983 0.000 . 1 . . . . . 307 ILE MD . 51751 1 214 . 1 . 1 289 289 ILE HD12 H 1 0.61983 0.000 . 1 . . . . . 307 ILE MD . 51751 1 215 . 1 . 1 289 289 ILE HD13 H 1 0.61983 0.000 . 1 . . . . . 307 ILE MD . 51751 1 216 . 1 . 1 289 289 ILE CD1 C 13 15.25167 0.000 . 1 . . . . . 307 ILE CD1 . 51751 1 217 . 1 . 1 291 291 ILE HD11 H 1 0.15548 0.000 . 1 . . . . . 309 ILE MD . 51751 1 218 . 1 . 1 291 291 ILE HD12 H 1 0.15548 0.000 . 1 . . . . . 309 ILE MD . 51751 1 219 . 1 . 1 291 291 ILE HD13 H 1 0.15548 0.000 . 1 . . . . . 309 ILE MD . 51751 1 220 . 1 . 1 291 291 ILE CD1 C 13 14.18004 0.000 . 1 . . . . . 309 ILE CD1 . 51751 1 221 . 1 . 1 314 314 MET HE1 H 1 2.12415 0.000 . 1 . . . . . 332 MET ME . 51751 1 222 . 1 . 1 314 314 MET HE2 H 1 2.12415 0.000 . 1 . . . . . 332 MET ME . 51751 1 223 . 1 . 1 314 314 MET HE3 H 1 2.12415 0.000 . 1 . . . . . 332 MET ME . 51751 1 224 . 1 . 1 314 314 MET CE C 13 16.5061 0.000 . 1 . . . . . 332 MET CE . 51751 1 225 . 1 . 1 321 321 MET HE1 H 1 1.85216 0.000 . 1 . . . . . 339 MET ME . 51751 1 226 . 1 . 1 321 321 MET HE2 H 1 1.85216 0.000 . 1 . . . . . 339 MET ME . 51751 1 227 . 1 . 1 321 321 MET HE3 H 1 1.85216 0.000 . 1 . . . . . 339 MET ME . 51751 1 228 . 1 . 1 321 321 MET CE C 13 18.92476 0.000 . 1 . . . . . 339 MET CE . 51751 1 229 . 1 . 1 324 324 VAL HG11 H 1 0.86251 0.000 . 1 . . . . . 342 VAL MG1 . 51751 1 230 . 1 . 1 324 324 VAL HG12 H 1 0.86251 0.000 . 1 . . . . . 342 VAL MG1 . 51751 1 231 . 1 . 1 324 324 VAL HG13 H 1 0.86251 0.000 . 1 . . . . . 342 VAL MG1 . 51751 1 232 . 1 . 1 324 324 VAL HG21 H 1 1.47939 0.000 . 1 . . . . . 342 VAL MG2 . 51751 1 233 . 1 . 1 324 324 VAL HG22 H 1 1.47939 0.000 . 1 . . . . . 342 VAL MG2 . 51751 1 234 . 1 . 1 324 324 VAL HG23 H 1 1.47939 0.000 . 1 . . . . . 342 VAL MG2 . 51751 1 235 . 1 . 1 324 324 VAL CG1 C 13 23.03421 0.000 . 1 . . . . . 342 VAL CG1 . 51751 1 236 . 1 . 1 324 324 VAL CG2 C 13 23.13408 0.000 . 1 . . . . . 342 VAL CG2 . 51751 1 237 . 1 . 1 327 327 VAL HG11 H 1 0.92995 0.000 . 1 . . . . . 345 VAL MG1 . 51751 1 238 . 1 . 1 327 327 VAL HG12 H 1 0.92995 0.000 . 1 . . . . . 345 VAL MG1 . 51751 1 239 . 1 . 1 327 327 VAL HG13 H 1 0.92995 0.000 . 1 . . . . . 345 VAL MG1 . 51751 1 240 . 1 . 1 327 327 VAL HG21 H 1 1.02658 0.000 . 1 . . . . . 345 VAL MG2 . 51751 1 241 . 1 . 1 327 327 VAL HG22 H 1 1.02658 0.000 . 1 . . . . . 345 VAL MG2 . 51751 1 242 . 1 . 1 327 327 VAL HG23 H 1 1.02658 0.000 . 1 . . . . . 345 VAL MG2 . 51751 1 243 . 1 . 1 327 327 VAL CG1 C 13 22.40743 0.000 . 1 . . . . . 345 VAL CG1 . 51751 1 244 . 1 . 1 327 327 VAL CG2 C 13 22.91481 0.000 . 1 . . . . . 345 VAL CG2 . 51751 1 245 . 1 . 1 338 338 ILE HD11 H 1 0.62198 0.000 . 1 . . . . . 356 ILE MD . 51751 1 246 . 1 . 1 338 338 ILE HD12 H 1 0.62198 0.000 . 1 . . . . . 356 ILE MD . 51751 1 247 . 1 . 1 338 338 ILE HD13 H 1 0.62198 0.000 . 1 . . . . . 356 ILE MD . 51751 1 248 . 1 . 1 338 338 ILE CD1 C 13 9.79304 0.000 . 1 . . . . . 356 ILE CD1 . 51751 1 249 . 1 . 1 341 341 ILE HD11 H 1 0.11282 0.000 . 1 . . . . . 359 ILE MD . 51751 1 250 . 1 . 1 341 341 ILE HD12 H 1 0.11282 0.000 . 1 . . . . . 359 ILE MD . 51751 1 251 . 1 . 1 341 341 ILE HD13 H 1 0.11282 0.000 . 1 . . . . . 359 ILE MD . 51751 1 252 . 1 . 1 341 341 ILE CD1 C 13 15.19643 0.000 . 1 . . . . . 359 ILE CD1 . 51751 1 253 . 1 . 1 342 342 VAL HG11 H 1 0.60546 0.000 . 1 . . . . . 360 VAL MG1 . 51751 1 254 . 1 . 1 342 342 VAL HG12 H 1 0.60546 0.000 . 1 . . . . . 360 VAL MG1 . 51751 1 255 . 1 . 1 342 342 VAL HG13 H 1 0.60546 0.000 . 1 . . . . . 360 VAL MG1 . 51751 1 256 . 1 . 1 342 342 VAL HG21 H 1 0.47833 0.000 . 1 . . . . . 360 VAL MG2 . 51751 1 257 . 1 . 1 342 342 VAL HG22 H 1 0.47833 0.000 . 1 . . . . . 360 VAL MG2 . 51751 1 258 . 1 . 1 342 342 VAL HG23 H 1 0.47833 0.000 . 1 . . . . . 360 VAL MG2 . 51751 1 259 . 1 . 1 342 342 VAL CG1 C 13 21.85761 0.000 . 1 . . . . . 360 VAL CG1 . 51751 1 260 . 1 . 1 342 342 VAL CG2 C 13 20.90425 0.000 . 1 . . . . . 360 VAL CG2 . 51751 1 261 . 1 . 1 344 344 VAL HG11 H 1 1.00693 0.000 . 1 . . . . . 362 VAL MG1 . 51751 1 262 . 1 . 1 344 344 VAL HG12 H 1 1.00693 0.000 . 1 . . . . . 362 VAL MG1 . 51751 1 263 . 1 . 1 344 344 VAL HG13 H 1 1.00693 0.000 . 1 . . . . . 362 VAL MG1 . 51751 1 264 . 1 . 1 344 344 VAL CG1 C 13 23.14508 0.000 . 1 . . . . . 362 VAL CG1 . 51751 1 265 . 1 . 1 350 350 ILE HD11 H 1 1.40701 0.000 . 1 . . . . . 368 ILE MD . 51751 1 266 . 1 . 1 350 350 ILE HD12 H 1 1.40701 0.000 . 1 . . . . . 368 ILE MD . 51751 1 267 . 1 . 1 350 350 ILE HD13 H 1 1.40701 0.000 . 1 . . . . . 368 ILE MD . 51751 1 268 . 1 . 1 350 350 ILE CD1 C 13 14.58515 0.000 . 1 . . . . . 368 ILE CD1 . 51751 1 269 . 1 . 1 353 353 ILE HD11 H 1 0.47288 0.000 . 1 . . . . . 371 ILE MD . 51751 1 270 . 1 . 1 353 353 ILE HD12 H 1 0.47288 0.000 . 1 . . . . . 371 ILE MD . 51751 1 271 . 1 . 1 353 353 ILE HD13 H 1 0.47288 0.000 . 1 . . . . . 371 ILE MD . 51751 1 272 . 1 . 1 353 353 ILE CD1 C 13 9.6203 0.000 . 1 . . . . . 371 ILE CD1 . 51751 1 273 . 1 . 1 357 357 VAL HG21 H 1 0.19141 0.000 . 1 . . . . . 375 VAL MG2 . 51751 1 274 . 1 . 1 357 357 VAL HG22 H 1 0.19141 0.000 . 1 . . . . . 375 VAL MG2 . 51751 1 275 . 1 . 1 357 357 VAL HG23 H 1 0.19141 0.000 . 1 . . . . . 375 VAL MG2 . 51751 1 276 . 1 . 1 357 357 VAL CG2 C 13 22.29252 0.000 . 1 . . . . . 375 VAL CG2 . 51751 1 277 . 1 . 1 382 382 VAL HG11 H 1 0.77367 0.000 . 1 . . . . . 400 VAL MG1 . 51751 1 278 . 1 . 1 382 382 VAL HG12 H 1 0.77367 0.000 . 1 . . . . . 400 VAL MG1 . 51751 1 279 . 1 . 1 382 382 VAL HG13 H 1 0.77367 0.000 . 1 . . . . . 400 VAL MG1 . 51751 1 280 . 1 . 1 382 382 VAL HG21 H 1 1.12185 0.000 . 1 . . . . . 400 VAL MG2 . 51751 1 281 . 1 . 1 382 382 VAL HG22 H 1 1.12185 0.000 . 1 . . . . . 400 VAL MG2 . 51751 1 282 . 1 . 1 382 382 VAL HG23 H 1 1.12185 0.000 . 1 . . . . . 400 VAL MG2 . 51751 1 283 . 1 . 1 382 382 VAL CG1 C 13 20.99652 0.000 . 1 . . . . . 400 VAL CG1 . 51751 1 284 . 1 . 1 382 382 VAL CG2 C 13 23.03173 0.000 . 1 . . . . . 400 VAL CG2 . 51751 1 285 . 1 . 1 386 386 VAL HG21 H 1 0.96455 0.000 . 1 . . . . . 404 VAL MG2 . 51751 1 286 . 1 . 1 386 386 VAL HG22 H 1 0.96455 0.000 . 1 . . . . . 404 VAL MG2 . 51751 1 287 . 1 . 1 386 386 VAL HG23 H 1 0.96455 0.000 . 1 . . . . . 404 VAL MG2 . 51751 1 288 . 1 . 1 386 386 VAL CG2 C 13 20.54461 0.000 . 1 . . . . . 404 VAL CG2 . 51751 1 289 . 1 . 1 401 401 VAL HG21 H 1 1.02481 0.000 . 1 . . . . . 419 VAL MG2 . 51751 1 290 . 1 . 1 401 401 VAL HG22 H 1 1.02481 0.000 . 1 . . . . . 419 VAL MG2 . 51751 1 291 . 1 . 1 401 401 VAL HG23 H 1 1.02481 0.000 . 1 . . . . . 419 VAL MG2 . 51751 1 292 . 1 . 1 401 401 VAL CG2 C 13 19.81412 0.000 . 1 . . . . . 419 VAL CG2 . 51751 1 293 . 1 . 1 408 408 ILE HD11 H 1 -0.05943 0.000 . 1 . . . . . 426 ILE MD . 51751 1 294 . 1 . 1 408 408 ILE HD12 H 1 -0.05943 0.000 . 1 . . . . . 426 ILE MD . 51751 1 295 . 1 . 1 408 408 ILE HD13 H 1 -0.05943 0.000 . 1 . . . . . 426 ILE MD . 51751 1 296 . 1 . 1 408 408 ILE CD1 C 13 13.90712 0.000 . 1 . . . . . 426 ILE CD1 . 51751 1 297 . 1 . 1 415 415 MET HE1 H 1 1.84671 0.000 . 1 . . . . . 433 MET ME . 51751 1 298 . 1 . 1 415 415 MET HE2 H 1 1.84671 0.000 . 1 . . . . . 433 MET ME . 51751 1 299 . 1 . 1 415 415 MET HE3 H 1 1.84671 0.000 . 1 . . . . . 433 MET ME . 51751 1 300 . 1 . 1 415 415 MET CE C 13 18.80102 0.000 . 1 . . . . . 433 MET CE . 51751 1 301 . 1 . 1 419 419 ILE HD11 H 1 0.93332 0.000 . 1 . . . . . 437 ILE MD . 51751 1 302 . 1 . 1 419 419 ILE HD12 H 1 0.93332 0.000 . 1 . . . . . 437 ILE MD . 51751 1 303 . 1 . 1 419 419 ILE HD13 H 1 0.93332 0.000 . 1 . . . . . 437 ILE MD . 51751 1 304 . 1 . 1 419 419 ILE CD1 C 13 13.61816 0.000 . 1 . . . . . 437 ILE CD1 . 51751 1 305 . 1 . 1 424 424 VAL HG21 H 1 0.75178 0.000 . 1 . . . . . 442 VAL MG2 . 51751 1 306 . 1 . 1 424 424 VAL HG22 H 1 0.75178 0.000 . 1 . . . . . 442 VAL MG2 . 51751 1 307 . 1 . 1 424 424 VAL HG23 H 1 0.75178 0.000 . 1 . . . . . 442 VAL MG2 . 51751 1 308 . 1 . 1 424 424 VAL CG2 C 13 18.13704 0.000 . 1 . . . . . 442 VAL CG2 . 51751 1 309 . 1 . 1 425 425 VAL HG21 H 1 0.71991 0.000 . 1 . . . . . 443 VAL MG2 . 51751 1 310 . 1 . 1 425 425 VAL HG22 H 1 0.71991 0.000 . 1 . . . . . 443 VAL MG2 . 51751 1 311 . 1 . 1 425 425 VAL HG23 H 1 0.71991 0.000 . 1 . . . . . 443 VAL MG2 . 51751 1 312 . 1 . 1 425 425 VAL CG2 C 13 19.49503 0.000 . 1 . . . . . 443 VAL CG2 . 51751 1 313 . 1 . 1 443 443 VAL HG21 H 1 0.81586 0.000 . 1 . . . . . 461 VAL MG2 . 51751 1 314 . 1 . 1 443 443 VAL HG22 H 1 0.81586 0.000 . 1 . . . . . 461 VAL MG2 . 51751 1 315 . 1 . 1 443 443 VAL HG23 H 1 0.81586 0.000 . 1 . . . . . 461 VAL MG2 . 51751 1 316 . 1 . 1 443 443 VAL CG2 C 13 21.1737 0.000 . 1 . . . . . 461 VAL CG2 . 51751 1 317 . 1 . 1 445 445 ILE HD11 H 1 0.62037 0.000 . 1 . . . . . 463 ILE MD . 51751 1 318 . 1 . 1 445 445 ILE HD12 H 1 0.62037 0.000 . 1 . . . . . 463 ILE MD . 51751 1 319 . 1 . 1 445 445 ILE HD13 H 1 0.62037 0.000 . 1 . . . . . 463 ILE MD . 51751 1 320 . 1 . 1 445 445 ILE CD1 C 13 13.19654 0.000 . 1 . . . . . 463 ILE CD1 . 51751 1 321 . 1 . 1 469 469 ILE HD11 H 1 0.57002 0.000 . 1 . . . . . 487 ILE MD . 51751 1 322 . 1 . 1 469 469 ILE HD12 H 1 0.57002 0.000 . 1 . . . . . 487 ILE MD . 51751 1 323 . 1 . 1 469 469 ILE HD13 H 1 0.57002 0.000 . 1 . . . . . 487 ILE MD . 51751 1 324 . 1 . 1 469 469 ILE CD1 C 13 12.64421 0.000 . 1 . . . . . 487 ILE CD1 . 51751 1 325 . 1 . 1 476 476 VAL HG21 H 1 1.08275 0.000 . 1 . . . . . 494 VAL MG2 . 51751 1 326 . 1 . 1 476 476 VAL HG22 H 1 1.08275 0.000 . 1 . . . . . 494 VAL MG2 . 51751 1 327 . 1 . 1 476 476 VAL HG23 H 1 1.08275 0.000 . 1 . . . . . 494 VAL MG2 . 51751 1 328 . 1 . 1 476 476 VAL CG2 C 13 21.47601 0.000 . 1 . . . . . 494 VAL CG2 . 51751 1 329 . 1 . 1 479 479 ILE HD11 H 1 0.73303 0.000 . 1 . . . . . 497 ILE MD . 51751 1 330 . 1 . 1 479 479 ILE HD12 H 1 0.73303 0.000 . 1 . . . . . 497 ILE MD . 51751 1 331 . 1 . 1 479 479 ILE HD13 H 1 0.73303 0.000 . 1 . . . . . 497 ILE MD . 51751 1 332 . 1 . 1 479 479 ILE CD1 C 13 12.80512 0.000 . 1 . . . . . 497 ILE CD1 . 51751 1 333 . 1 . 1 485 485 ILE HD11 H 1 0.91358 0.000 . 1 . . . . . 503 ILE MD . 51751 1 334 . 1 . 1 485 485 ILE HD12 H 1 0.91358 0.000 . 1 . . . . . 503 ILE MD . 51751 1 335 . 1 . 1 485 485 ILE HD13 H 1 0.91358 0.000 . 1 . . . . . 503 ILE MD . 51751 1 336 . 1 . 1 485 485 ILE CD1 C 13 14.63389 0.000 . 1 . . . . . 503 ILE CD1 . 51751 1 337 . 1 . 1 487 487 VAL HG21 H 1 1.10388 0.000 . 1 . . . . . 505 VAL MG2 . 51751 1 338 . 1 . 1 487 487 VAL HG22 H 1 1.10388 0.000 . 1 . . . . . 505 VAL MG2 . 51751 1 339 . 1 . 1 487 487 VAL HG23 H 1 1.10388 0.000 . 1 . . . . . 505 VAL MG2 . 51751 1 340 . 1 . 1 487 487 VAL CG2 C 13 21.91866 0.000 . 1 . . . . . 505 VAL CG2 . 51751 1 341 . 1 . 1 490 490 ILE HD11 H 1 0.86085 0.000 . 1 . . . . . 508 ILE MD . 51751 1 342 . 1 . 1 490 490 ILE HD12 H 1 0.86085 0.000 . 1 . . . . . 508 ILE MD . 51751 1 343 . 1 . 1 490 490 ILE HD13 H 1 0.86085 0.000 . 1 . . . . . 508 ILE MD . 51751 1 344 . 1 . 1 490 490 ILE CD1 C 13 11.68469 0.000 . 1 . . . . . 508 ILE CD1 . 51751 1 345 . 1 . 1 493 493 VAL HG21 H 1 0.79035 0.000 . 1 . . . . . 511 VAL MG2 . 51751 1 346 . 1 . 1 493 493 VAL HG22 H 1 0.79035 0.000 . 1 . . . . . 511 VAL MG2 . 51751 1 347 . 1 . 1 493 493 VAL HG23 H 1 0.79035 0.000 . 1 . . . . . 511 VAL MG2 . 51751 1 348 . 1 . 1 493 493 VAL CG2 C 13 21.48085 0.000 . 1 . . . . . 511 VAL CG2 . 51751 1 349 . 1 . 1 506 506 ILE HD11 H 1 0.23665 0.000 . 1 . . . . . 524 ILE MD . 51751 1 350 . 1 . 1 506 506 ILE HD12 H 1 0.23665 0.000 . 1 . . . . . 524 ILE MD . 51751 1 351 . 1 . 1 506 506 ILE HD13 H 1 0.23665 0.000 . 1 . . . . . 524 ILE MD . 51751 1 352 . 1 . 1 506 506 ILE CD1 C 13 12.9369 0.000 . 1 . . . . . 524 ILE CD1 . 51751 1 353 . 1 . 1 508 508 ILE HD11 H 1 0.74504 0.000 . 1 . . . . . 526 ILE MD . 51751 1 354 . 1 . 1 508 508 ILE HD12 H 1 0.74504 0.000 . 1 . . . . . 526 ILE MD . 51751 1 355 . 1 . 1 508 508 ILE HD13 H 1 0.74504 0.000 . 1 . . . . . 526 ILE MD . 51751 1 356 . 1 . 1 508 508 ILE CD1 C 13 13.78894 0.000 . 1 . . . . . 526 ILE CD1 . 51751 1 357 . 1 . 1 520 520 ILE HD11 H 1 0.81515 0.000 . 1 . . . . . 538 ILE MD . 51751 1 358 . 1 . 1 520 520 ILE HD12 H 1 0.81515 0.000 . 1 . . . . . 538 ILE MD . 51751 1 359 . 1 . 1 520 520 ILE HD13 H 1 0.81515 0.000 . 1 . . . . . 538 ILE MD . 51751 1 360 . 1 . 1 520 520 ILE CD1 C 13 13.20577 0.000 . 1 . . . . . 538 ILE CD1 . 51751 1 361 . 1 . 1 523 523 MET HE1 H 1 2.44201 0.000 . 1 . . . . . 541 MET ME . 51751 1 362 . 1 . 1 523 523 MET HE2 H 1 2.44201 0.000 . 1 . . . . . 541 MET ME . 51751 1 363 . 1 . 1 523 523 MET HE3 H 1 2.44201 0.000 . 1 . . . . . 541 MET ME . 51751 1 364 . 1 . 1 523 523 MET CE C 13 17.71466 0.000 . 1 . . . . . 541 MET CE . 51751 1 365 . 1 . 1 524 524 VAL HG21 H 1 1.07263 0.000 . 1 . . . . . 542 VAL MG2 . 51751 1 366 . 1 . 1 524 524 VAL HG22 H 1 1.07263 0.000 . 1 . . . . . 542 VAL MG2 . 51751 1 367 . 1 . 1 524 524 VAL HG23 H 1 1.07263 0.000 . 1 . . . . . 542 VAL MG2 . 51751 1 368 . 1 . 1 524 524 VAL CG2 C 13 22.70521 0.000 . 1 . . . . . 542 VAL CG2 . 51751 1 369 . 1 . 1 558 558 ILE HD11 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 1 370 . 1 . 1 558 558 ILE HD12 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 1 371 . 1 . 1 558 558 ILE HD13 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 1 372 . 1 . 1 558 558 ILE CD1 C 13 14.64561 0.000 . 1 . . . . . 576 ILE CD1 . 51751 1 373 . 1 . 1 576 576 MET HE1 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 1 374 . 1 . 1 576 576 MET HE2 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 1 375 . 1 . 1 576 576 MET HE3 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 1 376 . 1 . 1 576 576 MET CE C 13 17.596 0.000 . 1 . . . . . 594 MET CE . 51751 1 377 . 1 . 1 580 580 VAL HG21 H 1 1.04895 0.000 . 1 . . . . . 598 VAL MG2 . 51751 1 378 . 1 . 1 580 580 VAL HG22 H 1 1.04895 0.000 . 1 . . . . . 598 VAL MG2 . 51751 1 379 . 1 . 1 580 580 VAL HG23 H 1 1.04895 0.000 . 1 . . . . . 598 VAL MG2 . 51751 1 380 . 1 . 1 580 580 VAL CG2 C 13 24.41135 0.000 . 1 . . . . . 598 VAL CG2 . 51751 1 381 . 1 . 1 584 584 ILE HD11 H 1 0.90452 0.000 . 1 . . . . . 602 ILE MD . 51751 1 382 . 1 . 1 584 584 ILE HD12 H 1 0.90452 0.000 . 1 . . . . . 602 ILE MD . 51751 1 383 . 1 . 1 584 584 ILE HD13 H 1 0.90452 0.000 . 1 . . . . . 602 ILE MD . 51751 1 384 . 1 . 1 584 584 ILE CD1 C 13 13.05003 0.000 . 1 . . . . . 602 ILE CD1 . 51751 1 385 . 1 . 1 609 609 VAL HG21 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 1 386 . 1 . 1 609 609 VAL HG22 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 1 387 . 1 . 1 609 609 VAL HG23 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 1 388 . 1 . 1 609 609 VAL CG2 C 13 21.13875 0.000 . 1 . . . . . 627 VAL CG2 . 51751 1 389 . 1 . 1 612 612 ILE HD11 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 1 390 . 1 . 1 612 612 ILE HD12 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 1 391 . 1 . 1 612 612 ILE HD13 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 1 392 . 1 . 1 612 612 ILE CD1 C 13 13.52497 0.000 . 1 . . . . . 630 ILE CD1 . 51751 1 393 . 1 . 1 613 613 ILE HD11 H 1 0.86418 0.000 . 1 . . . . . 631 ILE MD . 51751 1 394 . 1 . 1 613 613 ILE HD12 H 1 0.86418 0.000 . 1 . . . . . 631 ILE MD . 51751 1 395 . 1 . 1 613 613 ILE HD13 H 1 0.86418 0.000 . 1 . . . . . 631 ILE MD . 51751 1 396 . 1 . 1 613 613 ILE CD1 C 13 12.29841 0.000 . 1 . . . . . 631 ILE CD1 . 51751 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 51751 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'BiP methyl assignment' _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' . . . 51751 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 . . 51751 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 9 9 VAL HG11 H 1 0.49548 0.000 . 1 . . . . . 27 VAL MG1 . 51751 2 2 . 1 . 1 9 9 VAL HG12 H 1 0.49548 0.000 . 1 . . . . . 27 VAL MG1 . 51751 2 3 . 1 . 1 9 9 VAL HG13 H 1 0.49548 0.000 . 1 . . . . . 27 VAL MG1 . 51751 2 4 . 1 . 1 9 9 VAL HG21 H 1 0.73843 0.000 . 1 . . . . . 27 VAL MG2 . 51751 2 5 . 1 . 1 9 9 VAL HG22 H 1 0.73843 0.000 . 1 . . . . . 27 VAL MG2 . 51751 2 6 . 1 . 1 9 9 VAL HG23 H 1 0.73843 0.000 . 1 . . . . . 27 VAL MG2 . 51751 2 7 . 1 . 1 9 9 VAL CG1 C 13 20.87613 0.000 . 1 . . . . . 27 VAL CG1 . 51751 2 8 . 1 . 1 9 9 VAL CG2 C 13 18.99282 0.000 . 1 . . . . . 27 VAL CG2 . 51751 2 9 . 1 . 1 12 12 VAL HG11 H 1 1.00125 0.000 . 1 . . . . . 30 VAL MG1 . 51751 2 10 . 1 . 1 12 12 VAL HG12 H 1 1.00125 0.000 . 1 . . . . . 30 VAL MG1 . 51751 2 11 . 1 . 1 12 12 VAL HG13 H 1 1.00125 0.000 . 1 . . . . . 30 VAL MG1 . 51751 2 12 . 1 . 1 12 12 VAL HG21 H 1 0.89064 0.000 . 1 . . . . . 30 VAL MG2 . 51751 2 13 . 1 . 1 12 12 VAL HG22 H 1 0.89064 0.000 . 1 . . . . . 30 VAL MG2 . 51751 2 14 . 1 . 1 12 12 VAL HG23 H 1 0.89064 0.000 . 1 . . . . . 30 VAL MG2 . 51751 2 15 . 1 . 1 12 12 VAL CG1 C 13 21.58498 0.000 . 1 . . . . . 30 VAL CG1 . 51751 2 16 . 1 . 1 12 12 VAL CG2 C 13 22.0761 0.000 . 1 . . . . . 30 VAL CG2 . 51751 2 17 . 1 . 1 13 13 VAL HG11 H 1 1.10641 0.000 . 1 . . . . . 31 VAL MG1 . 51751 2 18 . 1 . 1 13 13 VAL HG12 H 1 1.10641 0.000 . 1 . . . . . 31 VAL MG1 . 51751 2 19 . 1 . 1 13 13 VAL HG13 H 1 1.10641 0.000 . 1 . . . . . 31 VAL MG1 . 51751 2 20 . 1 . 1 13 13 VAL HG21 H 1 1.05973 0.000 . 1 . . . . . 31 VAL MG2 . 51751 2 21 . 1 . 1 13 13 VAL HG22 H 1 1.05973 0.000 . 1 . . . . . 31 VAL MG2 . 51751 2 22 . 1 . 1 13 13 VAL HG23 H 1 1.05973 0.000 . 1 . . . . . 31 VAL MG2 . 51751 2 23 . 1 . 1 13 13 VAL CG1 C 13 22.10247 0.000 . 1 . . . . . 31 VAL CG1 . 51751 2 24 . 1 . 1 13 13 VAL CG2 C 13 21.9628 0.000 . 1 . . . . . 31 VAL CG2 . 51751 2 25 . 1 . 1 15 15 ILE HD11 H 1 0.65524 0.000 . 1 . . . . . 33 ILE MD . 51751 2 26 . 1 . 1 15 15 ILE HD12 H 1 0.65524 0.000 . 1 . . . . . 33 ILE MD . 51751 2 27 . 1 . 1 15 15 ILE HD13 H 1 0.65524 0.000 . 1 . . . . . 33 ILE MD . 51751 2 28 . 1 . 1 15 15 ILE CD1 C 13 13.74157 0.000 . 1 . . . . . 33 ILE CD1 . 51751 2 29 . 1 . 1 26 26 VAL HG11 H 1 1.0588 0.000 . 1 . . . . . 44 VAL MG1 . 51751 2 30 . 1 . 1 26 26 VAL HG12 H 1 1.0588 0.000 . 1 . . . . . 44 VAL MG1 . 51751 2 31 . 1 . 1 26 26 VAL HG13 H 1 1.0588 0.000 . 1 . . . . . 44 VAL MG1 . 51751 2 32 . 1 . 1 26 26 VAL HG21 H 1 1.05977 0.000 . 1 . . . . . 44 VAL MG2 . 51751 2 33 . 1 . 1 26 26 VAL HG22 H 1 1.05977 0.000 . 1 . . . . . 44 VAL MG2 . 51751 2 34 . 1 . 1 26 26 VAL HG23 H 1 1.05977 0.000 . 1 . . . . . 44 VAL MG2 . 51751 2 35 . 1 . 1 26 26 VAL CG1 C 13 20.92872 0.000 . 1 . . . . . 44 VAL CG1 . 51751 2 36 . 1 . 1 26 26 VAL CG2 C 13 21.29707 0.000 . 1 . . . . . 44 VAL CG2 . 51751 2 37 . 1 . 1 32 32 VAL HG11 H 1 0.35971 0.000 . 1 . . . . . 50 VAL MG1 . 51751 2 38 . 1 . 1 32 32 VAL HG12 H 1 0.35971 0.000 . 1 . . . . . 50 VAL MG1 . 51751 2 39 . 1 . 1 32 32 VAL HG13 H 1 0.35971 0.000 . 1 . . . . . 50 VAL MG1 . 51751 2 40 . 1 . 1 32 32 VAL HG21 H 1 0.72662 0.000 . 1 . . . . . 50 VAL MG2 . 51751 2 41 . 1 . 1 32 32 VAL HG22 H 1 0.72662 0.000 . 1 . . . . . 50 VAL MG2 . 51751 2 42 . 1 . 1 32 32 VAL HG23 H 1 0.72662 0.000 . 1 . . . . . 50 VAL MG2 . 51751 2 43 . 1 . 1 32 32 VAL CG1 C 13 21.38463 0.000 . 1 . . . . . 50 VAL CG1 . 51751 2 44 . 1 . 1 32 32 VAL CG2 C 13 22.96227 0.000 . 1 . . . . . 50 VAL CG2 . 51751 2 45 . 1 . 1 34 34 ILE HD11 H 1 0.61677 0.000 . 1 . . . . . 52 ILE MD . 51751 2 46 . 1 . 1 34 34 ILE HD12 H 1 0.61677 0.000 . 1 . . . . . 52 ILE MD . 51751 2 47 . 1 . 1 34 34 ILE HD13 H 1 0.61677 0.000 . 1 . . . . . 52 ILE MD . 51751 2 48 . 1 . 1 34 34 ILE CD1 C 13 8.76574 0.000 . 1 . . . . . 52 ILE CD1 . 51751 2 49 . 1 . 1 35 35 ILE HD11 H 1 0.64988 0.000 . 1 . . . . . 53 ILE MD . 51751 2 50 . 1 . 1 35 35 ILE HD12 H 1 0.64988 0.000 . 1 . . . . . 53 ILE MD . 51751 2 51 . 1 . 1 35 35 ILE HD13 H 1 0.64988 0.000 . 1 . . . . . 53 ILE MD . 51751 2 52 . 1 . 1 35 35 ILE CD1 C 13 13.52692 0.000 . 1 . . . . . 53 ILE CD1 . 51751 2 53 . 1 . 1 48 48 VAL HG11 H 1 0.67555 0.000 . 1 . . . . . 66 VAL MG1 . 51751 2 54 . 1 . 1 48 48 VAL HG12 H 1 0.67555 0.000 . 1 . . . . . 66 VAL MG1 . 51751 2 55 . 1 . 1 48 48 VAL HG13 H 1 0.67555 0.000 . 1 . . . . . 66 VAL MG1 . 51751 2 56 . 1 . 1 48 48 VAL HG21 H 1 0.7702 0.000 . 1 . . . . . 66 VAL MG2 . 51751 2 57 . 1 . 1 48 48 VAL HG22 H 1 0.7702 0.000 . 1 . . . . . 66 VAL MG2 . 51751 2 58 . 1 . 1 48 48 VAL HG23 H 1 0.7702 0.000 . 1 . . . . . 66 VAL MG2 . 51751 2 59 . 1 . 1 48 48 VAL CG1 C 13 21.26991 0.000 . 1 . . . . . 66 VAL CG1 . 51751 2 60 . 1 . 1 48 48 VAL CG2 C 13 21.79041 0.000 . 1 . . . . . 66 VAL CG2 . 51751 2 61 . 1 . 1 58 58 ILE HD11 H 1 0.78919 0.000 . 1 . . . . . 76 ILE MD . 51751 2 62 . 1 . 1 58 58 ILE HD12 H 1 0.78919 0.000 . 1 . . . . . 76 ILE MD . 51751 2 63 . 1 . 1 58 58 ILE HD13 H 1 0.78919 0.000 . 1 . . . . . 76 ILE MD . 51751 2 64 . 1 . 1 58 58 ILE CD1 C 13 13.37496 0.000 . 1 . . . . . 76 ILE CD1 . 51751 2 65 . 1 . 1 74 74 VAL HG11 H 1 0.1191 0.000 . 1 . . . . . 92 VAL MG1 . 51751 2 66 . 1 . 1 74 74 VAL HG12 H 1 0.1191 0.000 . 1 . . . . . 92 VAL MG1 . 51751 2 67 . 1 . 1 74 74 VAL HG13 H 1 0.1191 0.000 . 1 . . . . . 92 VAL MG1 . 51751 2 68 . 1 . 1 74 74 VAL HG21 H 1 0.40384 0.000 . 1 . . . . . 92 VAL MG2 . 51751 2 69 . 1 . 1 74 74 VAL HG22 H 1 0.40384 0.000 . 1 . . . . . 92 VAL MG2 . 51751 2 70 . 1 . 1 74 74 VAL HG23 H 1 0.40384 0.000 . 1 . . . . . 92 VAL MG2 . 51751 2 71 . 1 . 1 74 74 VAL CG1 C 13 23.11699 0.000 . 1 . . . . . 92 VAL CG1 . 51751 2 72 . 1 . 1 74 74 VAL CG2 C 13 20.91218 0.000 . 1 . . . . . 92 VAL CG2 . 51751 2 73 . 1 . 1 90 90 VAL HG21 H 1 1.11572 0.000 . 1 . . . . . 108 VAL MG2 . 51751 2 74 . 1 . 1 90 90 VAL HG22 H 1 1.11572 0.000 . 1 . . . . . 108 VAL MG2 . 51751 2 75 . 1 . 1 90 90 VAL HG23 H 1 1.11572 0.000 . 1 . . . . . 108 VAL MG2 . 51751 2 76 . 1 . 1 90 90 VAL CG2 C 13 24.02012 0.000 . 1 . . . . . 108 VAL CG2 . 51751 2 77 . 1 . 1 94 94 ILE HD11 H 1 0.5968 0.000 . 1 . . . . . 112 ILE MD . 51751 2 78 . 1 . 1 94 94 ILE HD12 H 1 0.5968 0.000 . 1 . . . . . 112 ILE MD . 51751 2 79 . 1 . 1 94 94 ILE HD13 H 1 0.5968 0.000 . 1 . . . . . 112 ILE MD . 51751 2 80 . 1 . 1 94 94 ILE CD1 C 13 14.17903 0.000 . 1 . . . . . 112 ILE CD1 . 51751 2 81 . 1 . 1 101 101 VAL HG11 H 1 1.14291 0.000 . 1 . . . . . 119 VAL MG1 . 51751 2 82 . 1 . 1 101 101 VAL HG12 H 1 1.14291 0.000 . 1 . . . . . 119 VAL MG1 . 51751 2 83 . 1 . 1 101 101 VAL HG13 H 1 1.14291 0.000 . 1 . . . . . 119 VAL MG1 . 51751 2 84 . 1 . 1 101 101 VAL HG21 H 1 1.05146 0.000 . 1 . . . . . 119 VAL MG2 . 51751 2 85 . 1 . 1 101 101 VAL HG22 H 1 1.05146 0.000 . 1 . . . . . 119 VAL MG2 . 51751 2 86 . 1 . 1 101 101 VAL HG23 H 1 1.05146 0.000 . 1 . . . . . 119 VAL MG2 . 51751 2 87 . 1 . 1 101 101 VAL CG1 C 13 22.67045 0.000 . 1 . . . . . 119 VAL CG1 . 51751 2 88 . 1 . 1 101 101 VAL CG2 C 13 22.61616 0.000 . 1 . . . . . 119 VAL CG2 . 51751 2 89 . 1 . 1 102 102 VAL HG11 H 1 0.65954 0.000 . 1 . . . . . 120 VAL MG1 . 51751 2 90 . 1 . 1 102 102 VAL HG12 H 1 0.65954 0.000 . 1 . . . . . 120 VAL MG1 . 51751 2 91 . 1 . 1 102 102 VAL HG13 H 1 0.65954 0.000 . 1 . . . . . 120 VAL MG1 . 51751 2 92 . 1 . 1 102 102 VAL HG21 H 1 0.67857 0.000 . 1 . . . . . 120 VAL MG2 . 51751 2 93 . 1 . 1 102 102 VAL HG22 H 1 0.67857 0.000 . 1 . . . . . 120 VAL MG2 . 51751 2 94 . 1 . 1 102 102 VAL HG23 H 1 0.67857 0.000 . 1 . . . . . 120 VAL MG2 . 51751 2 95 . 1 . 1 102 102 VAL CG1 C 13 20.77676 0.000 . 1 . . . . . 120 VAL CG1 . 51751 2 96 . 1 . 1 102 102 VAL CG2 C 13 18.38327 0.000 . 1 . . . . . 120 VAL CG2 . 51751 2 97 . 1 . 1 110 110 ILE HD11 H 1 0.7528 0.000 . 1 . . . . . 128 ILE MD . 51751 2 98 . 1 . 1 110 110 ILE HD12 H 1 0.7528 0.000 . 1 . . . . . 128 ILE MD . 51751 2 99 . 1 . 1 110 110 ILE HD13 H 1 0.7528 0.000 . 1 . . . . . 128 ILE MD . 51751 2 100 . 1 . 1 110 110 ILE CD1 C 13 15.05407 0.000 . 1 . . . . . 128 ILE CD1 . 51751 2 101 . 1 . 1 112 112 VAL HG11 H 1 0.8291 0.000 . 1 . . . . . 130 VAL MG1 . 51751 2 102 . 1 . 1 112 112 VAL HG12 H 1 0.8291 0.000 . 1 . . . . . 130 VAL MG1 . 51751 2 103 . 1 . 1 112 112 VAL HG13 H 1 0.8291 0.000 . 1 . . . . . 130 VAL MG1 . 51751 2 104 . 1 . 1 112 112 VAL HG21 H 1 0.63358 0.000 . 1 . . . . . 130 VAL MG2 . 51751 2 105 . 1 . 1 112 112 VAL HG22 H 1 0.63358 0.000 . 1 . . . . . 130 VAL MG2 . 51751 2 106 . 1 . 1 112 112 VAL HG23 H 1 0.63358 0.000 . 1 . . . . . 130 VAL MG2 . 51751 2 107 . 1 . 1 112 112 VAL CG1 C 13 22.08966 0.000 . 1 . . . . . 130 VAL CG1 . 51751 2 108 . 1 . 1 112 112 VAL CG2 C 13 18.58809 0.000 . 1 . . . . . 130 VAL CG2 . 51751 2 109 . 1 . 1 114 114 ILE HD11 H 1 0.81627 0.000 . 1 . . . . . 132 ILE MD . 51751 2 110 . 1 . 1 114 114 ILE HD12 H 1 0.81627 0.000 . 1 . . . . . 132 ILE MD . 51751 2 111 . 1 . 1 114 114 ILE HD13 H 1 0.81627 0.000 . 1 . . . . . 132 ILE MD . 51751 2 112 . 1 . 1 114 114 ILE CD1 C 13 14.36889 0.000 . 1 . . . . . 132 ILE CD1 . 51751 2 113 . 1 . 1 127 127 ILE HD11 H 1 0.23363 0.000 . 1 . . . . . 145 ILE MD . 51751 2 114 . 1 . 1 127 127 ILE HD12 H 1 0.23363 0.000 . 1 . . . . . 145 ILE MD . 51751 2 115 . 1 . 1 127 127 ILE HD13 H 1 0.23363 0.000 . 1 . . . . . 145 ILE MD . 51751 2 116 . 1 . 1 127 127 ILE CD1 C 13 6.74754 0.000 . 1 . . . . . 145 ILE CD1 . 51751 2 117 . 1 . 1 130 130 MET HE1 H 1 1.42956 0.000 . 1 . . . . . 148 MET ME . 51751 2 118 . 1 . 1 130 130 MET HE2 H 1 1.42956 0.000 . 1 . . . . . 148 MET ME . 51751 2 119 . 1 . 1 130 130 MET HE3 H 1 1.42956 0.000 . 1 . . . . . 148 MET ME . 51751 2 120 . 1 . 1 130 130 MET CE C 13 18.03561 0.000 . 1 . . . . . 148 MET CE . 51751 2 121 . 1 . 1 135 135 MET HE1 H 1 1.98687 0.000 . 1 . . . . . 153 MET ME . 51751 2 122 . 1 . 1 135 135 MET HE2 H 1 1.98687 0.000 . 1 . . . . . 153 MET ME . 51751 2 123 . 1 . 1 135 135 MET HE3 H 1 1.98687 0.000 . 1 . . . . . 153 MET ME . 51751 2 124 . 1 . 1 135 135 MET CE C 13 16.39192 0.000 . 1 . . . . . 153 MET CE . 51751 2 125 . 1 . 1 152 152 VAL HG21 H 1 0.86684 0.000 . 1 . . . . . 170 VAL MG2 . 51751 2 126 . 1 . 1 152 152 VAL HG22 H 1 0.86684 0.000 . 1 . . . . . 170 VAL MG2 . 51751 2 127 . 1 . 1 152 152 VAL HG23 H 1 0.86684 0.000 . 1 . . . . . 170 VAL MG2 . 51751 2 128 . 1 . 1 152 152 VAL CG2 C 13 22.62335 0.000 . 1 . . . . . 170 VAL CG2 . 51751 2 129 . 1 . 1 154 154 VAL HG21 H 1 0.81066 0.000 . 1 . . . . . 172 VAL MG2 . 51751 2 130 . 1 . 1 154 154 VAL HG22 H 1 0.81066 0.000 . 1 . . . . . 172 VAL MG2 . 51751 2 131 . 1 . 1 154 154 VAL HG23 H 1 0.81066 0.000 . 1 . . . . . 172 VAL MG2 . 51751 2 132 . 1 . 1 154 154 VAL CG2 C 13 18.43731 0.000 . 1 . . . . . 172 VAL CG2 . 51751 2 133 . 1 . 1 172 172 ILE HD11 H 1 0.72727 0.000 . 1 . . . . . 190 ILE MD . 51751 2 134 . 1 . 1 172 172 ILE HD12 H 1 0.72727 0.000 . 1 . . . . . 190 ILE MD . 51751 2 135 . 1 . 1 172 172 ILE HD13 H 1 0.72727 0.000 . 1 . . . . . 190 ILE MD . 51751 2 136 . 1 . 1 172 172 ILE CD1 C 13 14.83589 0.000 . 1 . . . . . 190 ILE CD1 . 51751 2 137 . 1 . 1 177 177 VAL HG11 H 1 0.84607 0.000 . 1 . . . . . 195 VAL MG1 . 51751 2 138 . 1 . 1 177 177 VAL HG12 H 1 0.84607 0.000 . 1 . . . . . 195 VAL MG1 . 51751 2 139 . 1 . 1 177 177 VAL HG13 H 1 0.84607 0.000 . 1 . . . . . 195 VAL MG1 . 51751 2 140 . 1 . 1 177 177 VAL HG21 H 1 0.92448 0.000 . 1 . . . . . 195 VAL MG2 . 51751 2 141 . 1 . 1 177 177 VAL HG22 H 1 0.92448 0.000 . 1 . . . . . 195 VAL MG2 . 51751 2 142 . 1 . 1 177 177 VAL HG23 H 1 0.92448 0.000 . 1 . . . . . 195 VAL MG2 . 51751 2 143 . 1 . 1 177 177 VAL CG1 C 13 22.79134 0.000 . 1 . . . . . 195 VAL CG1 . 51751 2 144 . 1 . 1 177 177 VAL CG2 C 13 21.99009 0.000 . 1 . . . . . 195 VAL CG2 . 51751 2 145 . 1 . 1 178 178 MET HE1 H 1 2.14084 0.000 . 1 . . . . . 196 MET ME . 51751 2 146 . 1 . 1 178 178 MET HE2 H 1 2.14084 0.000 . 1 . . . . . 196 MET ME . 51751 2 147 . 1 . 1 178 178 MET HE3 H 1 2.14084 0.000 . 1 . . . . . 196 MET ME . 51751 2 148 . 1 . 1 178 178 MET CE C 13 17.49471 0.000 . 1 . . . . . 196 MET CE . 51751 2 149 . 1 . 1 180 180 ILE HD11 H 1 0.78406 0.000 . 1 . . . . . 198 ILE MD . 51751 2 150 . 1 . 1 180 180 ILE HD12 H 1 0.78406 0.000 . 1 . . . . . 198 ILE MD . 51751 2 151 . 1 . 1 180 180 ILE HD13 H 1 0.78406 0.000 . 1 . . . . . 198 ILE MD . 51751 2 152 . 1 . 1 180 180 ILE CD1 C 13 12.92047 0.000 . 1 . . . . . 198 ILE CD1 . 51751 2 153 . 1 . 1 181 181 ILE HD11 H 1 0.54565 0.000 . 1 . . . . . 199 ILE MD . 51751 2 154 . 1 . 1 181 181 ILE HD12 H 1 0.54565 0.000 . 1 . . . . . 199 ILE MD . 51751 2 155 . 1 . 1 181 181 ILE HD13 H 1 0.54565 0.000 . 1 . . . . . 199 ILE MD . 51751 2 156 . 1 . 1 181 181 ILE CD1 C 13 13.42633 0.000 . 1 . . . . . 199 ILE CD1 . 51751 2 157 . 1 . 1 189 189 ILE HD11 H 1 00.50203 0.000 . 1 . . . . . 207 ILE MD . 51751 2 158 . 1 . 1 189 189 ILE HD12 H 1 00.50203 0.000 . 1 . . . . . 207 ILE MD . 51751 2 159 . 1 . 1 189 189 ILE HD13 H 1 00.50203 0.000 . 1 . . . . . 207 ILE MD . 51751 2 160 . 1 . 1 189 189 ILE CD1 C 13 13.86173 0.000 . 1 . . . . . 207 ILE CD1 . 51751 2 161 . 1 . 1 202 202 ILE HD11 H 1 0.9023 0.000 . 1 . . . . . 220 ILE MD . 51751 2 162 . 1 . 1 202 202 ILE HD12 H 1 0.9023 0.000 . 1 . . . . . 220 ILE MD . 51751 2 163 . 1 . 1 202 202 ILE HD13 H 1 0.9023 0.000 . 1 . . . . . 220 ILE MD . 51751 2 164 . 1 . 1 202 202 ILE CD1 C 13 14.55097 0.000 . 1 . . . . . 220 ILE CD1 . 51751 2 165 . 1 . 1 204 204 VAL HG21 H 1 0.7742 0.000 . 1 . . . . . 222 VAL MG2 . 51751 2 166 . 1 . 1 204 204 VAL HG22 H 1 0.7742 0.000 . 1 . . . . . 222 VAL MG2 . 51751 2 167 . 1 . 1 204 204 VAL HG23 H 1 0.7742 0.000 . 1 . . . . . 222 VAL MG2 . 51751 2 168 . 1 . 1 204 204 VAL CG2 C 13 20.5488 0.000 . 1 . . . . . 222 VAL CG2 . 51751 2 169 . 1 . 1 214 214 VAL HG11 H 1 0.78448 0.000 . 1 . . . . . 232 VAL MG1 . 51751 2 170 . 1 . 1 214 214 VAL HG12 H 1 0.78448 0.000 . 1 . . . . . 232 VAL MG1 . 51751 2 171 . 1 . 1 214 214 VAL HG13 H 1 0.78448 0.000 . 1 . . . . . 232 VAL MG1 . 51751 2 172 . 1 . 1 214 214 VAL HG21 H 1 0.66635 0.000 . 1 . . . . . 232 VAL MG2 . 51751 2 173 . 1 . 1 214 214 VAL HG22 H 1 0.66635 0.000 . 1 . . . . . 232 VAL MG2 . 51751 2 174 . 1 . 1 214 214 VAL HG23 H 1 0.66635 0.000 . 1 . . . . . 232 VAL MG2 . 51751 2 175 . 1 . 1 214 214 VAL CG1 C 13 22.25506 0.000 . 1 . . . . . 232 VAL CG1 . 51751 2 176 . 1 . 1 214 214 VAL CG2 C 13 24.4607 0.000 . 1 . . . . . 232 VAL CG2 . 51751 2 177 . 1 . 1 219 219 ILE HD11 H 1 0.15883 0.000 . 1 . . . . . 237 ILE MD . 51751 2 178 . 1 . 1 219 219 ILE HD12 H 1 0.15883 0.000 . 1 . . . . . 237 ILE MD . 51751 2 179 . 1 . 1 219 219 ILE HD13 H 1 0.15883 0.000 . 1 . . . . . 237 ILE MD . 51751 2 180 . 1 . 1 219 219 ILE CD1 C 13 13.71424 0.000 . 1 . . . . . 237 ILE CD1 . 51751 2 181 . 1 . 1 223 223 VAL HG21 H 1 0.94812 0.000 . 1 . . . . . 241 VAL MG2 . 51751 2 182 . 1 . 1 223 223 VAL HG22 H 1 0.94812 0.000 . 1 . . . . . 241 VAL MG2 . 51751 2 183 . 1 . 1 223 223 VAL HG23 H 1 0.94812 0.000 . 1 . . . . . 241 VAL MG2 . 51751 2 184 . 1 . 1 223 223 VAL CG2 C 13 20.78141 0.000 . 1 . . . . . 241 VAL CG2 . 51751 2 185 . 1 . 1 244 244 VAL HG11 H 1 1.28092 0.000 . 1 . . . . . 262 VAL MG1 . 51751 2 186 . 1 . 1 244 244 VAL HG12 H 1 1.28092 0.000 . 1 . . . . . 262 VAL MG1 . 51751 2 187 . 1 . 1 244 244 VAL HG13 H 1 1.28092 0.000 . 1 . . . . . 262 VAL MG1 . 51751 2 188 . 1 . 1 244 244 VAL HG21 H 1 1.36058 0.000 . 1 . . . . . 262 VAL MG2 . 51751 2 189 . 1 . 1 244 244 VAL HG22 H 1 1.36058 0.000 . 1 . . . . . 262 VAL MG2 . 51751 2 190 . 1 . 1 244 244 VAL HG23 H 1 1.36058 0.000 . 1 . . . . . 262 VAL MG2 . 51751 2 191 . 1 . 1 244 244 VAL CG1 C 13 25.00993 0.000 . 1 . . . . . 262 VAL CG1 . 51751 2 192 . 1 . 1 244 244 VAL CG2 C 13 23.09415 0.000 . 1 . . . . . 262 VAL CG2 . 51751 2 193 . 1 . 1 245 245 MET HE1 H 1 2.14966 0.000 . 1 . . . . . 263 MET ME . 51751 2 194 . 1 . 1 245 245 MET HE2 H 1 2.14966 0.000 . 1 . . . . . 263 MET ME . 51751 2 195 . 1 . 1 245 245 MET HE3 H 1 2.14966 0.000 . 1 . . . . . 263 MET ME . 51751 2 196 . 1 . 1 245 245 MET CE C 13 17.40384 0.000 . 1 . . . . . 263 MET CE . 51751 2 197 . 1 . 1 249 249 ILE HD11 H 1 0.92024 0.000 . 1 . . . . . 267 ILE MD . 51751 2 198 . 1 . 1 249 249 ILE HD12 H 1 0.92024 0.000 . 1 . . . . . 267 ILE MD . 51751 2 199 . 1 . 1 249 249 ILE HD13 H 1 0.92024 0.000 . 1 . . . . . 267 ILE MD . 51751 2 200 . 1 . 1 249 249 ILE CD1 C 13 13.51891 0.000 . 1 . . . . . 267 ILE CD1 . 51751 2 201 . 1 . 1 260 260 VAL HG11 H 1 0.11423 0.000 . 1 . . . . . 278 VAL MG1 . 51751 2 202 . 1 . 1 260 260 VAL HG12 H 1 0.11423 0.000 . 1 . . . . . 278 VAL MG1 . 51751 2 203 . 1 . 1 260 260 VAL HG13 H 1 0.11423 0.000 . 1 . . . . . 278 VAL MG1 . 51751 2 204 . 1 . 1 260 260 VAL HG21 H 1 0.71844 0.000 . 1 . . . . . 278 VAL MG2 . 51751 2 205 . 1 . 1 260 260 VAL HG22 H 1 0.71844 0.000 . 1 . . . . . 278 VAL MG2 . 51751 2 206 . 1 . 1 260 260 VAL HG23 H 1 0.71844 0.000 . 1 . . . . . 278 VAL MG2 . 51751 2 207 . 1 . 1 260 260 VAL CG1 C 13 20.38615 0.000 . 1 . . . . . 278 VAL CG1 . 51751 2 208 . 1 . 1 260 260 VAL CG2 C 13 18.59883 0.000 . 1 . . . . . 278 VAL CG2 . 51751 2 209 . 1 . 1 267 267 VAL HG21 H 1 1.10198 0.000 . 1 . . . . . 285 VAL MG2 . 51751 2 210 . 1 . 1 267 267 VAL HG22 H 1 1.10198 0.000 . 1 . . . . . 285 VAL MG2 . 51751 2 211 . 1 . 1 267 267 VAL HG23 H 1 1.10198 0.000 . 1 . . . . . 285 VAL MG2 . 51751 2 212 . 1 . 1 267 267 VAL CG2 C 13 23.9244 0.000 . 1 . . . . . 285 VAL CG2 . 51751 2 213 . 1 . 1 289 289 ILE HD11 H 1 0.56761 0.000 . 1 . . . . . 307 ILE MD . 51751 2 214 . 1 . 1 289 289 ILE HD12 H 1 0.56761 0.000 . 1 . . . . . 307 ILE MD . 51751 2 215 . 1 . 1 289 289 ILE HD13 H 1 0.56761 0.000 . 1 . . . . . 307 ILE MD . 51751 2 216 . 1 . 1 289 289 ILE CD1 C 13 14.62767 0.000 . 1 . . . . . 307 ILE CD1 . 51751 2 217 . 1 . 1 291 291 ILE HD11 H 1 0.17873 0.000 . 1 . . . . . 309 ILE MD . 51751 2 218 . 1 . 1 291 291 ILE HD12 H 1 0.17873 0.000 . 1 . . . . . 309 ILE MD . 51751 2 219 . 1 . 1 291 291 ILE HD13 H 1 0.17873 0.000 . 1 . . . . . 309 ILE MD . 51751 2 220 . 1 . 1 291 291 ILE CD1 C 13 14.04332 0.000 . 1 . . . . . 309 ILE CD1 . 51751 2 221 . 1 . 1 314 314 MET HE1 H 1 2.12646 0.000 . 1 . . . . . 332 MET ME . 51751 2 222 . 1 . 1 314 314 MET HE2 H 1 2.12646 0.000 . 1 . . . . . 332 MET ME . 51751 2 223 . 1 . 1 314 314 MET HE3 H 1 2.12646 0.000 . 1 . . . . . 332 MET ME . 51751 2 224 . 1 . 1 314 314 MET CE C 13 16.67259 0.000 . 1 . . . . . 332 MET CE . 51751 2 225 . 1 . 1 321 321 MET HE1 H 1 1.86376 0.000 . 1 . . . . . 339 MET ME . 51751 2 226 . 1 . 1 321 321 MET HE2 H 1 1.86376 0.000 . 1 . . . . . 339 MET ME . 51751 2 227 . 1 . 1 321 321 MET HE3 H 1 1.86376 0.000 . 1 . . . . . 339 MET ME . 51751 2 228 . 1 . 1 321 321 MET CE C 13 18.85527 0.000 . 1 . . . . . 339 MET CE . 51751 2 229 . 1 . 1 324 324 VAL HG11 H 1 0.69552 0.000 . 1 . . . . . 342 VAL MG1 . 51751 2 230 . 1 . 1 324 324 VAL HG12 H 1 0.69552 0.000 . 1 . . . . . 342 VAL MG1 . 51751 2 231 . 1 . 1 324 324 VAL HG13 H 1 0.69552 0.000 . 1 . . . . . 342 VAL MG1 . 51751 2 232 . 1 . 1 324 324 VAL HG21 H 1 1.46254 0.000 . 1 . . . . . 342 VAL MG2 . 51751 2 233 . 1 . 1 324 324 VAL HG22 H 1 1.46254 0.000 . 1 . . . . . 342 VAL MG2 . 51751 2 234 . 1 . 1 324 324 VAL HG23 H 1 1.46254 0.000 . 1 . . . . . 342 VAL MG2 . 51751 2 235 . 1 . 1 324 324 VAL CG1 C 13 23.32338 0.000 . 1 . . . . . 342 VAL CG1 . 51751 2 236 . 1 . 1 324 324 VAL CG2 C 13 23.1082 0.000 . 1 . . . . . 342 VAL CG2 . 51751 2 237 . 1 . 1 327 327 VAL HG11 H 1 0.89344 0.000 . 1 . . . . . 345 VAL MG1 . 51751 2 238 . 1 . 1 327 327 VAL HG12 H 1 0.89344 0.000 . 1 . . . . . 345 VAL MG1 . 51751 2 239 . 1 . 1 327 327 VAL HG13 H 1 0.89344 0.000 . 1 . . . . . 345 VAL MG1 . 51751 2 240 . 1 . 1 327 327 VAL HG21 H 1 1.04994 0.000 . 1 . . . . . 345 VAL MG2 . 51751 2 241 . 1 . 1 327 327 VAL HG22 H 1 1.04994 0.000 . 1 . . . . . 345 VAL MG2 . 51751 2 242 . 1 . 1 327 327 VAL HG23 H 1 1.04994 0.000 . 1 . . . . . 345 VAL MG2 . 51751 2 243 . 1 . 1 327 327 VAL CG1 C 13 22.67727 0.000 . 1 . . . . . 345 VAL CG1 . 51751 2 244 . 1 . 1 327 327 VAL CG2 C 13 22.46106 0.000 . 1 . . . . . 345 VAL CG2 . 51751 2 245 . 1 . 1 338 338 ILE HD11 H 1 0.69505 0.000 . 1 . . . . . 356 ILE MD . 51751 2 246 . 1 . 1 338 338 ILE HD12 H 1 0.69505 0.000 . 1 . . . . . 356 ILE MD . 51751 2 247 . 1 . 1 338 338 ILE HD13 H 1 0.69505 0.000 . 1 . . . . . 356 ILE MD . 51751 2 248 . 1 . 1 338 338 ILE CD1 C 13 10.92758 0.000 . 1 . . . . . 356 ILE CD1 . 51751 2 249 . 1 . 1 341 341 ILE HD11 H 1 0.09924 0.000 . 1 . . . . . 359 ILE MD . 51751 2 250 . 1 . 1 341 341 ILE HD12 H 1 0.09924 0.000 . 1 . . . . . 359 ILE MD . 51751 2 251 . 1 . 1 341 341 ILE HD13 H 1 0.09924 0.000 . 1 . . . . . 359 ILE MD . 51751 2 252 . 1 . 1 341 341 ILE CD1 C 13 14.68255 0.000 . 1 . . . . . 359 ILE CD1 . 51751 2 253 . 1 . 1 342 342 VAL HG11 H 1 0.6747 0.000 . 1 . . . . . 360 VAL MG1 . 51751 2 254 . 1 . 1 342 342 VAL HG12 H 1 0.6747 0.000 . 1 . . . . . 360 VAL MG1 . 51751 2 255 . 1 . 1 342 342 VAL HG13 H 1 0.6747 0.000 . 1 . . . . . 360 VAL MG1 . 51751 2 256 . 1 . 1 342 342 VAL HG21 H 1 0.2115 0.000 . 1 . . . . . 360 VAL MG2 . 51751 2 257 . 1 . 1 342 342 VAL HG22 H 1 0.2115 0.000 . 1 . . . . . 360 VAL MG2 . 51751 2 258 . 1 . 1 342 342 VAL HG23 H 1 0.2115 0.000 . 1 . . . . . 360 VAL MG2 . 51751 2 259 . 1 . 1 342 342 VAL CG1 C 13 21.67646 0.000 . 1 . . . . . 360 VAL CG1 . 51751 2 260 . 1 . 1 342 342 VAL CG2 C 13 20.45608 0.000 . 1 . . . . . 360 VAL CG2 . 51751 2 261 . 1 . 1 344 344 VAL HG11 H 1 1.03119 0.000 . 1 . . . . . 362 VAL MG1 . 51751 2 262 . 1 . 1 344 344 VAL HG12 H 1 1.03119 0.000 . 1 . . . . . 362 VAL MG1 . 51751 2 263 . 1 . 1 344 344 VAL HG13 H 1 1.03119 0.000 . 1 . . . . . 362 VAL MG1 . 51751 2 264 . 1 . 1 344 344 VAL CG1 C 13 23.10889 0.000 . 1 . . . . . 362 VAL CG1 . 51751 2 265 . 1 . 1 350 350 ILE HD11 H 1 1.32263 0.000 . 1 . . . . . 368 ILE MD . 51751 2 266 . 1 . 1 350 350 ILE HD12 H 1 1.32263 0.000 . 1 . . . . . 368 ILE MD . 51751 2 267 . 1 . 1 350 350 ILE HD13 H 1 1.32263 0.000 . 1 . . . . . 368 ILE MD . 51751 2 268 . 1 . 1 350 350 ILE CD1 C 13 14.40406 0.000 . 1 . . . . . 368 ILE CD1 . 51751 2 269 . 1 . 1 353 353 ILE HD11 H 1 0.42103 0.000 . 1 . . . . . 371 ILE MD . 51751 2 270 . 1 . 1 353 353 ILE HD12 H 1 0.42103 0.000 . 1 . . . . . 371 ILE MD . 51751 2 271 . 1 . 1 353 353 ILE HD13 H 1 0.42103 0.000 . 1 . . . . . 371 ILE MD . 51751 2 272 . 1 . 1 353 353 ILE CD1 C 13 9.03475 0.000 . 1 . . . . . 371 ILE CD1 . 51751 2 273 . 1 . 1 357 357 VAL HG21 H 1 0.40363 0.000 . 1 . . . . . 375 VAL MG2 . 51751 2 274 . 1 . 1 357 357 VAL HG22 H 1 0.40363 0.000 . 1 . . . . . 375 VAL MG2 . 51751 2 275 . 1 . 1 357 357 VAL HG23 H 1 0.40363 0.000 . 1 . . . . . 375 VAL MG2 . 51751 2 276 . 1 . 1 357 357 VAL CG2 C 13 22.84778 0.000 . 1 . . . . . 375 VAL CG2 . 51751 2 277 . 1 . 1 382 382 VAL HG11 H 1 0.79213 0.000 . 1 . . . . . 400 VAL MG1 . 51751 2 278 . 1 . 1 382 382 VAL HG12 H 1 0.79213 0.000 . 1 . . . . . 400 VAL MG1 . 51751 2 279 . 1 . 1 382 382 VAL HG13 H 1 0.79213 0.000 . 1 . . . . . 400 VAL MG1 . 51751 2 280 . 1 . 1 382 382 VAL HG21 H 1 0.90294 0.000 . 1 . . . . . 400 VAL MG2 . 51751 2 281 . 1 . 1 382 382 VAL HG22 H 1 0.90294 0.000 . 1 . . . . . 400 VAL MG2 . 51751 2 282 . 1 . 1 382 382 VAL HG23 H 1 0.90294 0.000 . 1 . . . . . 400 VAL MG2 . 51751 2 283 . 1 . 1 382 382 VAL CG1 C 13 20.98581 0.000 . 1 . . . . . 400 VAL CG1 . 51751 2 284 . 1 . 1 382 382 VAL CG2 C 13 23.01479 0.000 . 1 . . . . . 400 VAL CG2 . 51751 2 285 . 1 . 1 386 386 VAL HG21 H 1 1.07836 0.000 . 1 . . . . . 404 VAL MG2 . 51751 2 286 . 1 . 1 386 386 VAL HG22 H 1 1.07836 0.000 . 1 . . . . . 404 VAL MG2 . 51751 2 287 . 1 . 1 386 386 VAL HG23 H 1 1.07836 0.000 . 1 . . . . . 404 VAL MG2 . 51751 2 288 . 1 . 1 386 386 VAL CG2 C 13 20.29558 0.000 . 1 . . . . . 404 VAL CG2 . 51751 2 289 . 1 . 1 401 401 VAL HG21 H 1 1.02425 0.000 . 1 . . . . . 419 VAL MG2 . 51751 2 290 . 1 . 1 401 401 VAL HG22 H 1 1.02425 0.000 . 1 . . . . . 419 VAL MG2 . 51751 2 291 . 1 . 1 401 401 VAL HG23 H 1 1.02425 0.000 . 1 . . . . . 419 VAL MG2 . 51751 2 292 . 1 . 1 401 401 VAL CG2 C 13 20.01319 0.000 . 1 . . . . . 419 VAL CG2 . 51751 2 293 . 1 . 1 408 408 ILE HD11 H 1 -0.09339 0.000 . 1 . . . . . 426 ILE MD . 51751 2 294 . 1 . 1 408 408 ILE HD12 H 1 -0.09339 0.000 . 1 . . . . . 426 ILE MD . 51751 2 295 . 1 . 1 408 408 ILE HD13 H 1 -0.09339 0.000 . 1 . . . . . 426 ILE MD . 51751 2 296 . 1 . 1 408 408 ILE CD1 C 13 13.84742 0.000 . 1 . . . . . 426 ILE CD1 . 51751 2 297 . 1 . 1 415 415 MET HE1 H 1 1.89799 0.000 . 1 . . . . . 433 MET ME . 51751 2 298 . 1 . 1 415 415 MET HE2 H 1 1.89799 0.000 . 1 . . . . . 433 MET ME . 51751 2 299 . 1 . 1 415 415 MET HE3 H 1 1.89799 0.000 . 1 . . . . . 433 MET ME . 51751 2 300 . 1 . 1 415 415 MET CE C 13 18.93098 0.000 . 1 . . . . . 433 MET CE . 51751 2 301 . 1 . 1 419 419 ILE HD11 H 1 1.00272 0.000 . 1 . . . . . 437 ILE MD . 51751 2 302 . 1 . 1 419 419 ILE HD12 H 1 1.00272 0.000 . 1 . . . . . 437 ILE MD . 51751 2 303 . 1 . 1 419 419 ILE HD13 H 1 1.00272 0.000 . 1 . . . . . 437 ILE MD . 51751 2 304 . 1 . 1 419 419 ILE CD1 C 13 13.96878 0.000 . 1 . . . . . 437 ILE CD1 . 51751 2 305 . 1 . 1 424 424 VAL HG21 H 1 0.67846 0.000 . 1 . . . . . 442 VAL MG2 . 51751 2 306 . 1 . 1 424 424 VAL HG22 H 1 0.67846 0.000 . 1 . . . . . 442 VAL MG2 . 51751 2 307 . 1 . 1 424 424 VAL HG23 H 1 0.67846 0.000 . 1 . . . . . 442 VAL MG2 . 51751 2 308 . 1 . 1 424 424 VAL CG2 C 13 17.95195 0.000 . 1 . . . . . 442 VAL CG2 . 51751 2 309 . 1 . 1 425 425 VAL HG21 H 1 0.68364 0.000 . 1 . . . . . 443 VAL MG2 . 51751 2 310 . 1 . 1 425 425 VAL HG22 H 1 0.68364 0.000 . 1 . . . . . 443 VAL MG2 . 51751 2 311 . 1 . 1 425 425 VAL HG23 H 1 0.68364 0.000 . 1 . . . . . 443 VAL MG2 . 51751 2 312 . 1 . 1 425 425 VAL CG2 C 13 18.47973 0.000 . 1 . . . . . 443 VAL CG2 . 51751 2 313 . 1 . 1 443 443 VAL HG21 H 1 0.83845 0.000 . 1 . . . . . 461 VAL MG2 . 51751 2 314 . 1 . 1 443 443 VAL HG22 H 1 0.83845 0.000 . 1 . . . . . 461 VAL MG2 . 51751 2 315 . 1 . 1 443 443 VAL HG23 H 1 0.83845 0.000 . 1 . . . . . 461 VAL MG2 . 51751 2 316 . 1 . 1 443 443 VAL CG2 C 13 21.7583 0.000 . 1 . . . . . 461 VAL CG2 . 51751 2 317 . 1 . 1 445 445 ILE HD11 H 1 0.6731 0.000 . 1 . . . . . 463 ILE MD . 51751 2 318 . 1 . 1 445 445 ILE HD12 H 1 0.6731 0.000 . 1 . . . . . 463 ILE MD . 51751 2 319 . 1 . 1 445 445 ILE HD13 H 1 0.6731 0.000 . 1 . . . . . 463 ILE MD . 51751 2 320 . 1 . 1 445 445 ILE CD1 C 13 10.49141 0.000 . 1 . . . . . 463 ILE CD1 . 51751 2 321 . 1 . 1 469 469 ILE HD11 H 1 0.60328 0.000 . 1 . . . . . 487 ILE MD . 51751 2 322 . 1 . 1 469 469 ILE HD12 H 1 0.60328 0.000 . 1 . . . . . 487 ILE MD . 51751 2 323 . 1 . 1 469 469 ILE HD13 H 1 0.60328 0.000 . 1 . . . . . 487 ILE MD . 51751 2 324 . 1 . 1 469 469 ILE CD1 C 13 12.87487 0.000 . 1 . . . . . 487 ILE CD1 . 51751 2 325 . 1 . 1 476 476 VAL HG21 H 1 1.04178 0.000 . 1 . . . . . 494 VAL MG2 . 51751 2 326 . 1 . 1 476 476 VAL HG22 H 1 1.04178 0.000 . 1 . . . . . 494 VAL MG2 . 51751 2 327 . 1 . 1 476 476 VAL HG23 H 1 1.04178 0.000 . 1 . . . . . 494 VAL MG2 . 51751 2 328 . 1 . 1 476 476 VAL CG2 C 13 21.43441 0.000 . 1 . . . . . 494 VAL CG2 . 51751 2 329 . 1 . 1 479 479 ILE HD11 H 1 0.78485 0.000 . 1 . . . . . 497 ILE MD . 51751 2 330 . 1 . 1 479 479 ILE HD12 H 1 0.78485 0.000 . 1 . . . . . 497 ILE MD . 51751 2 331 . 1 . 1 479 479 ILE HD13 H 1 0.78485 0.000 . 1 . . . . . 497 ILE MD . 51751 2 332 . 1 . 1 479 479 ILE CD1 C 13 12.15993 0.000 . 1 . . . . . 497 ILE CD1 . 51751 2 333 . 1 . 1 485 485 ILE HD11 H 1 0.88206 0.000 . 1 . . . . . 503 ILE MD . 51751 2 334 . 1 . 1 485 485 ILE HD12 H 1 0.88206 0.000 . 1 . . . . . 503 ILE MD . 51751 2 335 . 1 . 1 485 485 ILE HD13 H 1 0.88206 0.000 . 1 . . . . . 503 ILE MD . 51751 2 336 . 1 . 1 485 485 ILE CD1 C 13 13.98348 0.000 . 1 . . . . . 503 ILE CD1 . 51751 2 337 . 1 . 1 487 487 VAL HG21 H 1 1.10063 0.000 . 1 . . . . . 505 VAL MG2 . 51751 2 338 . 1 . 1 487 487 VAL HG22 H 1 1.10063 0.000 . 1 . . . . . 505 VAL MG2 . 51751 2 339 . 1 . 1 487 487 VAL HG23 H 1 1.10063 0.000 . 1 . . . . . 505 VAL MG2 . 51751 2 340 . 1 . 1 487 487 VAL CG2 C 13 21.30427 0.000 . 1 . . . . . 505 VAL CG2 . 51751 2 341 . 1 . 1 490 490 ILE HD11 H 1 0.87493 0.000 . 1 . . . . . 508 ILE MD . 51751 2 342 . 1 . 1 490 490 ILE HD12 H 1 0.87493 0.000 . 1 . . . . . 508 ILE MD . 51751 2 343 . 1 . 1 490 490 ILE HD13 H 1 0.87493 0.000 . 1 . . . . . 508 ILE MD . 51751 2 344 . 1 . 1 490 490 ILE CD1 C 13 11.8566 0.000 . 1 . . . . . 508 ILE CD1 . 51751 2 345 . 1 . 1 493 493 VAL HG21 H 1 1.05657 0.000 . 1 . . . . . 511 VAL MG2 . 51751 2 346 . 1 . 1 493 493 VAL HG22 H 1 1.05657 0.000 . 1 . . . . . 511 VAL MG2 . 51751 2 347 . 1 . 1 493 493 VAL HG23 H 1 1.05657 0.000 . 1 . . . . . 511 VAL MG2 . 51751 2 348 . 1 . 1 493 493 VAL CG2 C 13 22.51724 0.000 . 1 . . . . . 511 VAL CG2 . 51751 2 349 . 1 . 1 506 506 ILE HD11 H 1 0.16607 0.000 . 1 . . . . . 524 ILE MD . 51751 2 350 . 1 . 1 506 506 ILE HD12 H 1 0.16607 0.000 . 1 . . . . . 524 ILE MD . 51751 2 351 . 1 . 1 506 506 ILE HD13 H 1 0.16607 0.000 . 1 . . . . . 524 ILE MD . 51751 2 352 . 1 . 1 506 506 ILE CD1 C 13 12.59336 0.000 . 1 . . . . . 524 ILE CD1 . 51751 2 353 . 1 . 1 508 508 ILE HD11 H 1 0.68045 0.000 . 1 . . . . . 526 ILE MD . 51751 2 354 . 1 . 1 508 508 ILE HD12 H 1 0.68045 0.000 . 1 . . . . . 526 ILE MD . 51751 2 355 . 1 . 1 508 508 ILE HD13 H 1 0.68045 0.000 . 1 . . . . . 526 ILE MD . 51751 2 356 . 1 . 1 508 508 ILE CD1 C 13 13.78959 0.000 . 1 . . . . . 526 ILE CD1 . 51751 2 357 . 1 . 1 520 520 ILE HD11 H 1 0.77285 0.000 . 1 . . . . . 538 ILE MD . 51751 2 358 . 1 . 1 520 520 ILE HD12 H 1 0.77285 0.000 . 1 . . . . . 538 ILE MD . 51751 2 359 . 1 . 1 520 520 ILE HD13 H 1 0.77285 0.000 . 1 . . . . . 538 ILE MD . 51751 2 360 . 1 . 1 520 520 ILE CD1 C 13 12.26489 0.000 . 1 . . . . . 538 ILE CD1 . 51751 2 361 . 1 . 1 523 523 MET HE1 H 1 2.2256 0.000 . 1 . . . . . 541 MET ME . 51751 2 362 . 1 . 1 523 523 MET HE2 H 1 2.2256 0.000 . 1 . . . . . 541 MET ME . 51751 2 363 . 1 . 1 523 523 MET HE3 H 1 2.2256 0.000 . 1 . . . . . 541 MET ME . 51751 2 364 . 1 . 1 523 523 MET CE C 13 19.63394 0.000 . 1 . . . . . 541 MET CE . 51751 2 365 . 1 . 1 524 524 VAL HG21 H 1 1.16019 0.000 . 1 . . . . . 542 VAL MG2 . 51751 2 366 . 1 . 1 524 524 VAL HG22 H 1 1.16019 0.000 . 1 . . . . . 542 VAL MG2 . 51751 2 367 . 1 . 1 524 524 VAL HG23 H 1 1.16019 0.000 . 1 . . . . . 542 VAL MG2 . 51751 2 368 . 1 . 1 524 524 VAL CG2 C 13 24.04265 0.000 . 1 . . . . . 542 VAL CG2 . 51751 2 369 . 1 . 1 558 558 ILE HD11 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 2 370 . 1 . 1 558 558 ILE HD12 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 2 371 . 1 . 1 558 558 ILE HD13 H 1 0.79896 0.000 . 1 . . . . . 576 ILE MD . 51751 2 372 . 1 . 1 558 558 ILE CD1 C 13 14.64561 0.000 . 1 . . . . . 576 ILE CD1 . 51751 2 373 . 1 . 1 576 576 MET HE1 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 2 374 . 1 . 1 576 576 MET HE2 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 2 375 . 1 . 1 576 576 MET HE3 H 1 1.997 0.000 . 1 . . . . . 594 MET ME . 51751 2 376 . 1 . 1 576 576 MET CE C 13 17.596 0.000 . 1 . . . . . 594 MET CE . 51751 2 377 . 1 . 1 580 580 VAL HG21 H 1 1.06346 0.000 . 1 . . . . . 598 VAL MG2 . 51751 2 378 . 1 . 1 580 580 VAL HG22 H 1 1.06346 0.000 . 1 . . . . . 598 VAL MG2 . 51751 2 379 . 1 . 1 580 580 VAL HG23 H 1 1.06346 0.000 . 1 . . . . . 598 VAL MG2 . 51751 2 380 . 1 . 1 580 580 VAL CG2 C 13 24.53716 0.000 . 1 . . . . . 598 VAL CG2 . 51751 2 381 . 1 . 1 584 584 ILE HD11 H 1 0.90015 0.000 . 1 . . . . . 602 ILE MD . 51751 2 382 . 1 . 1 584 584 ILE HD12 H 1 0.90015 0.000 . 1 . . . . . 602 ILE MD . 51751 2 383 . 1 . 1 584 584 ILE HD13 H 1 0.90015 0.000 . 1 . . . . . 602 ILE MD . 51751 2 384 . 1 . 1 584 584 ILE CD1 C 13 12.9781 0.000 . 1 . . . . . 602 ILE CD1 . 51751 2 385 . 1 . 1 609 609 VAL HG21 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 2 386 . 1 . 1 609 609 VAL HG22 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 2 387 . 1 . 1 609 609 VAL HG23 H 1 1.14558 0.000 . 1 . . . . . 627 VAL MG2 . 51751 2 388 . 1 . 1 609 609 VAL CG2 C 13 21.13875 0.000 . 1 . . . . . 627 VAL CG2 . 51751 2 389 . 1 . 1 612 612 ILE HD11 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 2 390 . 1 . 1 612 612 ILE HD12 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 2 391 . 1 . 1 612 612 ILE HD13 H 1 0.97327 0.000 . 1 . . . . . 630 ILE MD . 51751 2 392 . 1 . 1 612 612 ILE CD1 C 13 13.52497 0.000 . 1 . . . . . 630 ILE CD1 . 51751 2 393 . 1 . 1 613 613 ILE HD11 H 1 0.85825 0.000 . 1 . . . . . 631 ILE MD . 51751 2 394 . 1 . 1 613 613 ILE HD12 H 1 0.85825 0.000 . 1 . . . . . 631 ILE MD . 51751 2 395 . 1 . 1 613 613 ILE HD13 H 1 0.85825 0.000 . 1 . . . . . 631 ILE MD . 51751 2 396 . 1 . 1 613 613 ILE CD1 C 13 12.32943 0.000 . 1 . . . . . 631 ILE CD1 . 51751 2 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51751 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'BiP methyl assignment' _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' . . . 51751 3 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 . . 51751 3 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 . 1 245 245 MET HE1 H 1 2.18797 0.000 . 1 . . . . . 263 MET ME . 51751 3 2 . 1 . 1 245 245 MET HE2 H 1 2.18797 0.000 . 1 . . . . . 263 MET ME . 51751 3 3 . 1 . 1 245 245 MET HE3 H 1 2.18797 0.000 . 1 . . . . . 263 MET ME . 51751 3 4 . 1 . 1 245 245 MET CE C 13 17.32855 0.000 . 1 . . . . . 263 MET CE . 51751 3 5 . 1 . 1 260 260 VAL HG11 H 1 0.26817 0.000 . 1 . . . . . 278 VAL MG1 . 51751 3 6 . 1 . 1 260 260 VAL HG12 H 1 0.26817 0.000 . 1 . . . . . 278 VAL MG1 . 51751 3 7 . 1 . 1 260 260 VAL HG13 H 1 0.26817 0.000 . 1 . . . . . 278 VAL MG1 . 51751 3 8 . 1 . 1 260 260 VAL HG21 H 1 0.71307 0.000 . 1 . . . . . 278 VAL MG2 . 51751 3 9 . 1 . 1 260 260 VAL HG22 H 1 0.71307 0.000 . 1 . . . . . 278 VAL MG2 . 51751 3 10 . 1 . 1 260 260 VAL HG23 H 1 0.71307 0.000 . 1 . . . . . 278 VAL MG2 . 51751 3 11 . 1 . 1 260 260 VAL CG1 C 13 20.58488 0.000 . 1 . . . . . 278 VAL CG1 . 51751 3 12 . 1 . 1 260 260 VAL CG2 C 13 19.32084 0.000 . 1 . . . . . 278 VAL CG2 . 51751 3 13 . 1 . 1 267 267 VAL HG21 H 1 1.04678 0.000 . 1 . . . . . 285 VAL MG2 . 51751 3 14 . 1 . 1 267 267 VAL HG22 H 1 1.04678 0.000 . 1 . . . . . 285 VAL MG2 . 51751 3 15 . 1 . 1 267 267 VAL HG23 H 1 1.04678 0.000 . 1 . . . . . 285 VAL MG2 . 51751 3 16 . 1 . 1 267 267 VAL CG2 C 13 23.53095 0.000 . 1 . . . . . 285 VAL CG2 . 51751 3 17 . 1 . 1 289 289 ILE HD11 H 1 0.61399 0.000 . 1 . . . . . 307 ILE MD . 51751 3 18 . 1 . 1 289 289 ILE HD12 H 1 0.61399 0.000 . 1 . . . . . 307 ILE MD . 51751 3 19 . 1 . 1 289 289 ILE HD13 H 1 0.61399 0.000 . 1 . . . . . 307 ILE MD . 51751 3 20 . 1 . 1 289 289 ILE CD1 C 13 14.99825 0.000 . 1 . . . . . 307 ILE CD1 . 51751 3 21 . 1 . 1 291 291 ILE HD11 H 1 0.15224 0.000 . 1 . . . . . 309 ILE MD . 51751 3 22 . 1 . 1 291 291 ILE HD12 H 1 0.15224 0.000 . 1 . . . . . 309 ILE MD . 51751 3 23 . 1 . 1 291 291 ILE HD13 H 1 0.15224 0.000 . 1 . . . . . 309 ILE MD . 51751 3 24 . 1 . 1 291 291 ILE CD1 C 13 14.03728 0.000 . 1 . . . . . 309 ILE CD1 . 51751 3 25 . 1 . 1 314 314 MET HE1 H 1 2.13156 0.000 . 1 . . . . . 332 MET ME . 51751 3 26 . 1 . 1 314 314 MET HE2 H 1 2.13156 0.000 . 1 . . . . . 332 MET ME . 51751 3 27 . 1 . 1 314 314 MET HE3 H 1 2.13156 0.000 . 1 . . . . . 332 MET ME . 51751 3 28 . 1 . 1 314 314 MET CE C 13 16.51289 0.000 . 1 . . . . . 332 MET CE . 51751 3 stop_ save_