################################### # 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 50285 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'O-complex 13C-HSCQ' _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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 13 '3D HNCACB' . . . 50285 1 14 '3D CBCA(CO)NH' . . . 50285 1 15 '3D HCCH-TOCSY' . . . 50285 1 16 '2D 1H-13C HSQC aliphatic' . . . 50285 1 17 '2D 1H-15N HSQC' . . . 50285 1 18 '3D CCH-TOCSY' . . . 50285 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 . . 50285 1 3 $software_3 . . 50285 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 2 2 LEU HD11 H 1 0.2231245 . . . . . . . . 114 LEU HD1 . 50285 1 2 . 1 . 1 2 2 LEU HD12 H 1 0.2231245 . . . . . . . . 114 LEU HD1 . 50285 1 3 . 1 . 1 2 2 LEU HD13 H 1 0.2231245 . . . . . . . . 114 LEU HD1 . 50285 1 4 . 1 . 1 2 2 LEU HD21 H 1 0.6935781 . . . . . . . . 114 LEU HD2 . 50285 1 5 . 1 . 1 2 2 LEU HD22 H 1 0.6935781 . . . . . . . . 114 LEU HD2 . 50285 1 6 . 1 . 1 2 2 LEU HD23 H 1 0.6935781 . . . . . . . . 114 LEU HD2 . 50285 1 7 . 1 . 1 2 2 LEU CD1 C 13 23.7039000 . . . . . . . . 114 LEU CD1 . 50285 1 8 . 1 . 1 2 2 LEU CD2 C 13 21.9783400 . . . . . . . . 114 LEU CD2 . 50285 1 9 . 1 . 1 3 3 ILE HG21 H 1 0.9430940 . . . . . . . . 115 ILE HG2 . 50285 1 10 . 1 . 1 3 3 ILE HG22 H 1 0.9430940 . . . . . . . . 115 ILE HG2 . 50285 1 11 . 1 . 1 3 3 ILE HG23 H 1 0.9430940 . . . . . . . . 115 ILE HG2 . 50285 1 12 . 1 . 1 3 3 ILE HD11 H 1 0.9116358 . . . . . . . . 115 ILE HD1 . 50285 1 13 . 1 . 1 3 3 ILE HD12 H 1 0.9116358 . . . . . . . . 115 ILE HD1 . 50285 1 14 . 1 . 1 3 3 ILE HD13 H 1 0.9116358 . . . . . . . . 115 ILE HD1 . 50285 1 15 . 1 . 1 3 3 ILE CG2 C 13 17.2943100 . . . . . . . . 115 ILE CG2 . 50285 1 16 . 1 . 1 3 3 ILE CD1 C 13 12.2973900 . . . . . . . . 115 ILE CD1 . 50285 1 17 . 1 . 1 4 4 VAL HG11 H 1 1.0871650 . . . . . . . . 116 VAL HG1 . 50285 1 18 . 1 . 1 4 4 VAL HG12 H 1 1.0871650 . . . . . . . . 116 VAL HG1 . 50285 1 19 . 1 . 1 4 4 VAL HG13 H 1 1.0871650 . . . . . . . . 116 VAL HG1 . 50285 1 20 . 1 . 1 4 4 VAL HG21 H 1 1.1553890 . . . . . . . . 116 VAL HG2 . 50285 1 21 . 1 . 1 4 4 VAL HG22 H 1 1.1553890 . . . . . . . . 116 VAL HG2 . 50285 1 22 . 1 . 1 4 4 VAL HG23 H 1 1.1553890 . . . . . . . . 116 VAL HG2 . 50285 1 23 . 1 . 1 4 4 VAL CG1 C 13 21.6012100 . . . . . . . . 116 VAL CG1 . 50285 1 24 . 1 . 1 4 4 VAL CG2 C 13 21.4167600 . . . . . . . . 116 VAL CG2 . 50285 1 25 . 1 . 1 8 8 LEU HD11 H 1 0.8278803 . . . . . . . . 120 LEU HD1 . 50285 1 26 . 1 . 1 8 8 LEU HD12 H 1 0.8278803 . . . . . . . . 120 LEU HD1 . 50285 1 27 . 1 . 1 8 8 LEU HD13 H 1 0.8278803 . . . . . . . . 120 LEU HD1 . 50285 1 28 . 1 . 1 8 8 LEU HD21 H 1 1.1847170 . . . . . . . . 120 LEU HD2 . 50285 1 29 . 1 . 1 8 8 LEU HD22 H 1 1.1847170 . . . . . . . . 120 LEU HD2 . 50285 1 30 . 1 . 1 8 8 LEU HD23 H 1 1.1847170 . . . . . . . . 120 LEU HD2 . 50285 1 31 . 1 . 1 8 8 LEU CD1 C 13 26.4220200 . . . . . . . . 120 LEU CD1 . 50285 1 32 . 1 . 1 8 8 LEU CD2 C 13 24.0717100 . . . . . . . . 120 LEU CD2 . 50285 1 33 . 1 . 1 10 10 LEU HD11 H 1 0.5032817 . . . . . . . . 122 LEU HD1 . 50285 1 34 . 1 . 1 10 10 LEU HD12 H 1 0.5032817 . . . . . . . . 122 LEU HD1 . 50285 1 35 . 1 . 1 10 10 LEU HD13 H 1 0.5032817 . . . . . . . . 122 LEU HD1 . 50285 1 36 . 1 . 1 10 10 LEU HD21 H 1 0.6992467 . . . . . . . . 122 LEU HD2 . 50285 1 37 . 1 . 1 10 10 LEU HD22 H 1 0.6992467 . . . . . . . . 122 LEU HD2 . 50285 1 38 . 1 . 1 10 10 LEU HD23 H 1 0.6992467 . . . . . . . . 122 LEU HD2 . 50285 1 39 . 1 . 1 10 10 LEU CD1 C 13 23.1671200 . . . . . . . . 122 LEU CD1 . 50285 1 40 . 1 . 1 10 10 LEU CD2 C 13 26.1181900 . . . . . . . . 122 LEU CD2 . 50285 1 41 . 1 . 1 14 14 VAL HG11 H 1 0.9785934 . . . . . . . . 126 VAL HG1 . 50285 1 42 . 1 . 1 14 14 VAL HG12 H 1 0.9785934 . . . . . . . . 126 VAL HG1 . 50285 1 43 . 1 . 1 14 14 VAL HG13 H 1 0.9785934 . . . . . . . . 126 VAL HG1 . 50285 1 44 . 1 . 1 14 14 VAL HG21 H 1 0.9919996 . . . . . . . . 126 VAL HG2 . 50285 1 45 . 1 . 1 14 14 VAL HG22 H 1 0.9919996 . . . . . . . . 126 VAL HG2 . 50285 1 46 . 1 . 1 14 14 VAL HG23 H 1 0.9919996 . . . . . . . . 126 VAL HG2 . 50285 1 47 . 1 . 1 14 14 VAL CG1 C 13 22.1327300 . . . . . . . . 126 VAL CG1 . 50285 1 48 . 1 . 1 14 14 VAL CG2 C 13 23.5176600 . . . . . . . . 126 VAL CG2 . 50285 1 49 . 1 . 1 15 15 VAL HG11 H 1 0.7900494 . . . . . . . . 127 VAL HG1 . 50285 1 50 . 1 . 1 15 15 VAL HG12 H 1 0.7900494 . . . . . . . . 127 VAL HG1 . 50285 1 51 . 1 . 1 15 15 VAL HG13 H 1 0.7900494 . . . . . . . . 127 VAL HG1 . 50285 1 52 . 1 . 1 15 15 VAL HG21 H 1 0.8744995 . . . . . . . . 127 VAL HG2 . 50285 1 53 . 1 . 1 15 15 VAL HG22 H 1 0.8744995 . . . . . . . . 127 VAL HG2 . 50285 1 54 . 1 . 1 15 15 VAL HG23 H 1 0.8744995 . . . . . . . . 127 VAL HG2 . 50285 1 55 . 1 . 1 15 15 VAL CG1 C 13 19.4811900 . . . . . . . . 127 VAL CG1 . 50285 1 56 . 1 . 1 15 15 VAL CG2 C 13 21.0769800 . . . . . . . . 127 VAL CG2 . 50285 1 57 . 1 . 1 18 18 MET HE1 H 1 1.7381330 . . . . . . . . 130 MET HE . 50285 1 58 . 1 . 1 18 18 MET HE2 H 1 1.7381330 . . . . . . . . 130 MET HE . 50285 1 59 . 1 . 1 18 18 MET HE3 H 1 1.7381330 . . . . . . . . 130 MET HE . 50285 1 60 . 1 . 1 18 18 MET CE C 13 17.3452900 . . . . . . . . 130 MET CE . 50285 1 61 . 1 . 1 19 19 LEU HD11 H 1 0.7838397 . . . . . . . . 131 LEU HD1 . 50285 1 62 . 1 . 1 19 19 LEU HD12 H 1 0.7838397 . . . . . . . . 131 LEU HD1 . 50285 1 63 . 1 . 1 19 19 LEU HD13 H 1 0.7838397 . . . . . . . . 131 LEU HD1 . 50285 1 64 . 1 . 1 19 19 LEU HD21 H 1 0.8139032 . . . . . . . . 131 LEU HD2 . 50285 1 65 . 1 . 1 19 19 LEU HD22 H 1 0.8139032 . . . . . . . . 131 LEU HD2 . 50285 1 66 . 1 . 1 19 19 LEU HD23 H 1 0.8139032 . . . . . . . . 131 LEU HD2 . 50285 1 67 . 1 . 1 19 19 LEU CD1 C 13 25.9064400 . . . . . . . . 131 LEU CD1 . 50285 1 68 . 1 . 1 19 19 LEU CD2 C 13 23.7463300 . . . . . . . . 131 LEU CD2 . 50285 1 69 . 1 . 1 20 20 ILE HG21 H 1 0.8864484 . . . . . . . . 132 ILE HG2 . 50285 1 70 . 1 . 1 20 20 ILE HG22 H 1 0.8864484 . . . . . . . . 132 ILE HG2 . 50285 1 71 . 1 . 1 20 20 ILE HG23 H 1 0.8864484 . . . . . . . . 132 ILE HG2 . 50285 1 72 . 1 . 1 20 20 ILE HD11 H 1 1.1592630 . . . . . . . . 132 ILE HD1 . 50285 1 73 . 1 . 1 20 20 ILE HD12 H 1 1.1592630 . . . . . . . . 132 ILE HD1 . 50285 1 74 . 1 . 1 20 20 ILE HD13 H 1 1.1592630 . . . . . . . . 132 ILE HD1 . 50285 1 75 . 1 . 1 20 20 ILE CG2 C 13 17.7179600 . . . . . . . . 132 ILE CG2 . 50285 1 76 . 1 . 1 20 20 ILE CD1 C 13 15.1721400 . . . . . . . . 132 ILE CD1 . 50285 1 77 . 1 . 1 21 21 THR HG21 H 1 1.0713500 . . . . . . . . 133 THR HG2 . 50285 1 78 . 1 . 1 21 21 THR HG22 H 1 1.0713500 . . . . . . . . 133 THR HG2 . 50285 1 79 . 1 . 1 21 21 THR HG23 H 1 1.0713500 . . . . . . . . 133 THR HG2 . 50285 1 80 . 1 . 1 21 21 THR CG2 C 13 21.0613200 . . . . . . . . 133 THR CG2 . 50285 1 81 . 1 . 1 22 22 ILE HG21 H 1 0.9722828 . . . . . . . . 134 ILE HG2 . 50285 1 82 . 1 . 1 22 22 ILE HG22 H 1 0.9722828 . . . . . . . . 134 ILE HG2 . 50285 1 83 . 1 . 1 22 22 ILE HG23 H 1 0.9722828 . . . . . . . . 134 ILE HG2 . 50285 1 84 . 1 . 1 22 22 ILE HD11 H 1 0.7801273 . . . . . . . . 134 ILE HD1 . 50285 1 85 . 1 . 1 22 22 ILE HD12 H 1 0.7801273 . . . . . . . . 134 ILE HD1 . 50285 1 86 . 1 . 1 22 22 ILE HD13 H 1 0.7801273 . . . . . . . . 134 ILE HD1 . 50285 1 87 . 1 . 1 22 22 ILE CG2 C 13 18.4553100 . . . . . . . . 134 ILE CG2 . 50285 1 88 . 1 . 1 22 22 ILE CD1 C 13 14.4409300 . . . . . . . . 134 ILE CD1 . 50285 1 89 . 1 . 1 23 23 LEU HD11 H 1 0.7905027 . . . . . . . . 135 LEU HD1 . 50285 1 90 . 1 . 1 23 23 LEU HD12 H 1 0.7905027 . . . . . . . . 135 LEU HD1 . 50285 1 91 . 1 . 1 23 23 LEU HD13 H 1 0.7905027 . . . . . . . . 135 LEU HD1 . 50285 1 92 . 1 . 1 23 23 LEU HD21 H 1 0.8646510 . . . . . . . . 135 LEU HD2 . 50285 1 93 . 1 . 1 23 23 LEU HD22 H 1 0.8646510 . . . . . . . . 135 LEU HD2 . 50285 1 94 . 1 . 1 23 23 LEU HD23 H 1 0.8646510 . . . . . . . . 135 LEU HD2 . 50285 1 95 . 1 . 1 23 23 LEU CD1 C 13 24.7633200 . . . . . . . . 135 LEU CD1 . 50285 1 96 . 1 . 1 23 23 LEU CD2 C 13 23.7811200 . . . . . . . . 135 LEU CD2 . 50285 1 97 . 1 . 1 25 25 THR HG21 H 1 0.9502797 . . . . . . . . 137 THR HG2 . 50285 1 98 . 1 . 1 25 25 THR HG22 H 1 0.9502797 . . . . . . . . 137 THR HG2 . 50285 1 99 . 1 . 1 25 25 THR HG23 H 1 0.9502797 . . . . . . . . 137 THR HG2 . 50285 1 100 . 1 . 1 25 25 THR CG2 C 13 21.3046500 . . . . . . . . 137 THR CG2 . 50285 1 101 . 1 . 1 26 26 VAL HG11 H 1 1.0228420 . . . . . . . . 138 VAL HG1 . 50285 1 102 . 1 . 1 26 26 VAL HG12 H 1 1.0228420 . . . . . . . . 138 VAL HG1 . 50285 1 103 . 1 . 1 26 26 VAL HG13 H 1 1.0228420 . . . . . . . . 138 VAL HG1 . 50285 1 104 . 1 . 1 26 26 VAL HG21 H 1 1.2626930 . . . . . . . . 138 VAL HG2 . 50285 1 105 . 1 . 1 26 26 VAL HG22 H 1 1.2626930 . . . . . . . . 138 VAL HG2 . 50285 1 106 . 1 . 1 26 26 VAL HG23 H 1 1.2626930 . . . . . . . . 138 VAL HG2 . 50285 1 107 . 1 . 1 26 26 VAL CG1 C 13 23.8351900 . . . . . . . . 138 VAL CG1 . 50285 1 108 . 1 . 1 26 26 VAL CG2 C 13 24.2449700 . . . . . . . . 138 VAL CG2 . 50285 1 109 . 1 . 1 30 30 ALA HB1 H 1 0.5517293 . . . . . . . . 142 ALA HB . 50285 1 110 . 1 . 1 30 30 ALA HB2 H 1 0.5517293 . . . . . . . . 142 ALA HB . 50285 1 111 . 1 . 1 30 30 ALA HB3 H 1 0.5517293 . . . . . . . . 142 ALA HB . 50285 1 112 . 1 . 1 30 30 ALA CB C 13 19.9557300 . . . . . . . . 142 ALA CB . 50285 1 113 . 1 . 1 33 33 ILE HG21 H 1 0.5293417 . . . . . . . . 145 ILE HG2 . 50285 1 114 . 1 . 1 33 33 ILE HG22 H 1 0.5293417 . . . . . . . . 145 ILE HG2 . 50285 1 115 . 1 . 1 33 33 ILE HG23 H 1 0.5293417 . . . . . . . . 145 ILE HG2 . 50285 1 116 . 1 . 1 33 33 ILE HD11 H 1 -0.0821400 . . . . . . . . 145 ILE HD1 . 50285 1 117 . 1 . 1 33 33 ILE HD12 H 1 -0.0821400 . . . . . . . . 145 ILE HD1 . 50285 1 118 . 1 . 1 33 33 ILE HD13 H 1 -0.0821400 . . . . . . . . 145 ILE HD1 . 50285 1 119 . 1 . 1 33 33 ILE CG2 C 13 15.0720300 . . . . . . . . 145 ILE CG2 . 50285 1 120 . 1 . 1 33 33 ILE CD1 C 13 13.1866600 . . . . . . . . 145 ILE CD1 . 50285 1 121 . 1 . 1 34 34 ALA HB1 H 1 0.8127186 . . . . . . . . 146 ALA HB . 50285 1 122 . 1 . 1 34 34 ALA HB2 H 1 0.8127186 . . . . . . . . 146 ALA HB . 50285 1 123 . 1 . 1 34 34 ALA HB3 H 1 0.8127186 . . . . . . . . 146 ALA HB . 50285 1 124 . 1 . 1 34 34 ALA CB C 13 21.2352600 . . . . . . . . 146 ALA CB . 50285 1 125 . 1 . 1 35 35 LEU HD11 H 1 0.6250488 . . . . . . . . 147 LEU HD1 . 50285 1 126 . 1 . 1 35 35 LEU HD12 H 1 0.6250488 . . . . . . . . 147 LEU HD1 . 50285 1 127 . 1 . 1 35 35 LEU HD13 H 1 0.6250488 . . . . . . . . 147 LEU HD1 . 50285 1 128 . 1 . 1 35 35 LEU HD21 H 1 0.7029242 . . . . . . . . 147 LEU HD2 . 50285 1 129 . 1 . 1 35 35 LEU HD22 H 1 0.7029242 . . . . . . . . 147 LEU HD2 . 50285 1 130 . 1 . 1 35 35 LEU HD23 H 1 0.7029242 . . . . . . . . 147 LEU HD2 . 50285 1 131 . 1 . 1 35 35 LEU CD1 C 13 23.7139100 . . . . . . . . 147 LEU CD1 . 50285 1 132 . 1 . 1 35 35 LEU CD2 C 13 25.0050500 . . . . . . . . 147 LEU CD2 . 50285 1 133 . 1 . 1 43 43 VAL HG11 H 1 0.7114655 . . . . . . . . 155 VAL HG1 . 50285 1 134 . 1 . 1 43 43 VAL HG12 H 1 0.7114655 . . . . . . . . 155 VAL HG1 . 50285 1 135 . 1 . 1 43 43 VAL HG13 H 1 0.7114655 . . . . . . . . 155 VAL HG1 . 50285 1 136 . 1 . 1 43 43 VAL HG21 H 1 1.1172560 . . . . . . . . 155 VAL HG2 . 50285 1 137 . 1 . 1 43 43 VAL HG22 H 1 1.1172560 . . . . . . . . 155 VAL HG2 . 50285 1 138 . 1 . 1 43 43 VAL HG23 H 1 1.1172560 . . . . . . . . 155 VAL HG2 . 50285 1 139 . 1 . 1 43 43 VAL CG1 C 13 19.8064000 . . . . . . . . 155 VAL CG1 . 50285 1 140 . 1 . 1 43 43 VAL CG2 C 13 22.3695000 . . . . . . . . 155 VAL CG2 . 50285 1 141 . 1 . 1 44 44 ALA HB1 H 1 1.5151520 . . . . . . . . 156 ALA HB . 50285 1 142 . 1 . 1 44 44 ALA HB2 H 1 1.5151520 . . . . . . . . 156 ALA HB . 50285 1 143 . 1 . 1 44 44 ALA HB3 H 1 1.5151520 . . . . . . . . 156 ALA HB . 50285 1 144 . 1 . 1 44 44 ALA CB C 13 19.1281100 . . . . . . . . 156 ALA CB . 50285 1 145 . 1 . 1 58 58 VAL HG11 H 1 0.6994007 . . . . . . . . 170 VAL HG1 . 50285 1 146 . 1 . 1 58 58 VAL HG12 H 1 0.6994007 . . . . . . . . 170 VAL HG1 . 50285 1 147 . 1 . 1 58 58 VAL HG13 H 1 0.6994007 . . . . . . . . 170 VAL HG1 . 50285 1 148 . 1 . 1 58 58 VAL HG21 H 1 0.8414937 . . . . . . . . 170 VAL HG2 . 50285 1 149 . 1 . 1 58 58 VAL HG22 H 1 0.8414937 . . . . . . . . 170 VAL HG2 . 50285 1 150 . 1 . 1 58 58 VAL HG23 H 1 0.8414937 . . . . . . . . 170 VAL HG2 . 50285 1 151 . 1 . 1 58 58 VAL CG1 C 13 18.9765000 . . . . . . . . 170 VAL CG1 . 50285 1 152 . 1 . 1 58 58 VAL CG2 C 13 20.7896600 . . . . . . . . 170 VAL CG2 . 50285 1 153 . 1 . 1 59 59 ILE HG21 H 1 0.1123356 . . . . . . . . 171 ILE HG2 . 50285 1 154 . 1 . 1 59 59 ILE HG22 H 1 0.1123356 . . . . . . . . 171 ILE HG2 . 50285 1 155 . 1 . 1 59 59 ILE HG23 H 1 0.1123356 . . . . . . . . 171 ILE HG2 . 50285 1 156 . 1 . 1 59 59 ILE HD11 H 1 0.7908660 . . . . . . . . 171 ILE HD1 . 50285 1 157 . 1 . 1 59 59 ILE HD12 H 1 0.7908660 . . . . . . . . 171 ILE HD1 . 50285 1 158 . 1 . 1 59 59 ILE HD13 H 1 0.7908660 . . . . . . . . 171 ILE HD1 . 50285 1 159 . 1 . 1 59 59 ILE CG2 C 13 17.4449100 . . . . . . . . 171 ILE CG2 . 50285 1 160 . 1 . 1 59 59 ILE CD1 C 13 14.6258400 . . . . . . . . 171 ILE CD1 . 50285 1 161 . 1 . 1 60 60 VAL HG11 H 1 0.7069342 . . . . . . . . 172 VAL HG1 . 50285 1 162 . 1 . 1 60 60 VAL HG12 H 1 0.7069342 . . . . . . . . 172 VAL HG1 . 50285 1 163 . 1 . 1 60 60 VAL HG13 H 1 0.7069342 . . . . . . . . 172 VAL HG1 . 50285 1 164 . 1 . 1 60 60 VAL HG21 H 1 0.8000593 . . . . . . . . 172 VAL HG2 . 50285 1 165 . 1 . 1 60 60 VAL HG22 H 1 0.8000593 . . . . . . . . 172 VAL HG2 . 50285 1 166 . 1 . 1 60 60 VAL HG23 H 1 0.8000593 . . . . . . . . 172 VAL HG2 . 50285 1 167 . 1 . 1 60 60 VAL CG1 C 13 21.0179200 . . . . . . . . 172 VAL CG1 . 50285 1 168 . 1 . 1 60 60 VAL CG2 C 13 21.4654700 . . . . . . . . 172 VAL CG2 . 50285 1 169 . 1 . 1 63 63 THR HG21 H 1 1.4404170 . . . . . . . . 175 THR HG2 . 50285 1 170 . 1 . 1 63 63 THR HG22 H 1 1.4404170 . . . . . . . . 175 THR HG2 . 50285 1 171 . 1 . 1 63 63 THR HG23 H 1 1.4404170 . . . . . . . . 175 THR HG2 . 50285 1 172 . 1 . 1 63 63 THR CG2 C 13 21.1706500 . . . . . . . . 175 THR CG2 . 50285 1 173 . 1 . 1 65 65 LEU HD11 H 1 0.6852450 . . . . . . . . 177 LEU HD1 . 50285 1 174 . 1 . 1 65 65 LEU HD12 H 1 0.6852450 . . . . . . . . 177 LEU HD1 . 50285 1 175 . 1 . 1 65 65 LEU HD13 H 1 0.6852450 . . . . . . . . 177 LEU HD1 . 50285 1 176 . 1 . 1 65 65 LEU HD21 H 1 0.7794568 . . . . . . . . 177 LEU HD2 . 50285 1 177 . 1 . 1 65 65 LEU HD22 H 1 0.7794568 . . . . . . . . 177 LEU HD2 . 50285 1 178 . 1 . 1 65 65 LEU HD23 H 1 0.7794568 . . . . . . . . 177 LEU HD2 . 50285 1 179 . 1 . 1 65 65 LEU CD1 C 13 22.8450300 . . . . . . . . 177 LEU CD1 . 50285 1 180 . 1 . 1 65 65 LEU CD2 C 13 24.6736300 . . . . . . . . 177 LEU CD2 . 50285 1 181 . 1 . 1 77 77 VAL HG11 H 1 0.7941428 . . . . . . . . 189 VAL HG1 . 50285 1 182 . 1 . 1 77 77 VAL HG12 H 1 0.7941428 . . . . . . . . 189 VAL HG1 . 50285 1 183 . 1 . 1 77 77 VAL HG13 H 1 0.7941428 . . . . . . . . 189 VAL HG1 . 50285 1 184 . 1 . 1 77 77 VAL HG21 H 1 0.9896327 . . . . . . . . 189 VAL HG2 . 50285 1 185 . 1 . 1 77 77 VAL HG22 H 1 0.9896327 . . . . . . . . 189 VAL HG2 . 50285 1 186 . 1 . 1 77 77 VAL HG23 H 1 0.9896327 . . . . . . . . 189 VAL HG2 . 50285 1 187 . 1 . 1 77 77 VAL CG1 C 13 20.8325300 . . . . . . . . 189 VAL CG1 . 50285 1 188 . 1 . 1 77 77 VAL CG2 C 13 21.1116600 . . . . . . . . 189 VAL CG2 . 50285 1 189 . 1 . 1 88 88 ILE HG21 H 1 0.6098434 . . . . . . . . 200 ILE HG2 . 50285 1 190 . 1 . 1 88 88 ILE HG22 H 1 0.6098434 . . . . . . . . 200 ILE HG2 . 50285 1 191 . 1 . 1 88 88 ILE HG23 H 1 0.6098434 . . . . . . . . 200 ILE HG2 . 50285 1 192 . 1 . 1 88 88 ILE HD11 H 1 0.6886846 . . . . . . . . 200 ILE HD1 . 50285 1 193 . 1 . 1 88 88 ILE HD12 H 1 0.6886846 . . . . . . . . 200 ILE HD1 . 50285 1 194 . 1 . 1 88 88 ILE HD13 H 1 0.6886846 . . . . . . . . 200 ILE HD1 . 50285 1 195 . 1 . 1 88 88 ILE CG2 C 13 17.0546900 . . . . . . . . 200 ILE CG2 . 50285 1 196 . 1 . 1 88 88 ILE CD1 C 13 13.8928900 . . . . . . . . 200 ILE CD1 . 50285 1 197 . 1 . 1 90 90 VAL HG11 H 1 0.8013581 . . . . . . . . 202 VAL HG1 . 50285 1 198 . 1 . 1 90 90 VAL HG12 H 1 0.8013581 . . . . . . . . 202 VAL HG1 . 50285 1 199 . 1 . 1 90 90 VAL HG13 H 1 0.8013581 . . . . . . . . 202 VAL HG1 . 50285 1 200 . 1 . 1 90 90 VAL HG21 H 1 1.0368590 . . . . . . . . 202 VAL HG2 . 50285 1 201 . 1 . 1 90 90 VAL HG22 H 1 1.0368590 . . . . . . . . 202 VAL HG2 . 50285 1 202 . 1 . 1 90 90 VAL HG23 H 1 1.0368590 . . . . . . . . 202 VAL HG2 . 50285 1 203 . 1 . 1 90 90 VAL CG1 C 13 19.5959000 . . . . . . . . 202 VAL CG1 . 50285 1 204 . 1 . 1 90 90 VAL CG2 C 13 21.6498700 . . . . . . . . 202 VAL CG2 . 50285 1 205 . 1 . 1 91 91 LEU HD11 H 1 0.8393434 . . . . . . . . 203 LEU HD1 . 50285 1 206 . 1 . 1 91 91 LEU HD12 H 1 0.8393434 . . . . . . . . 203 LEU HD1 . 50285 1 207 . 1 . 1 91 91 LEU HD13 H 1 0.8393434 . . . . . . . . 203 LEU HD1 . 50285 1 208 . 1 . 1 91 91 LEU HD21 H 1 0.8526150 . . . . . . . . 203 LEU HD2 . 50285 1 209 . 1 . 1 91 91 LEU HD22 H 1 0.8526150 . . . . . . . . 203 LEU HD2 . 50285 1 210 . 1 . 1 91 91 LEU HD23 H 1 0.8526150 . . . . . . . . 203 LEU HD2 . 50285 1 211 . 1 . 1 91 91 LEU CD1 C 13 22.9041000 . . . . . . . . 203 LEU CD1 . 50285 1 212 . 1 . 1 91 91 LEU CD2 C 13 25.9644400 . . . . . . . . 203 LEU CD2 . 50285 1 213 . 1 . 1 92 92 VAL HG11 H 1 0.3803483 . . . . . . . . 204 VAL HG1 . 50285 1 214 . 1 . 1 92 92 VAL HG12 H 1 0.3803483 . . . . . . . . 204 VAL HG1 . 50285 1 215 . 1 . 1 92 92 VAL HG13 H 1 0.3803483 . . . . . . . . 204 VAL HG1 . 50285 1 216 . 1 . 1 92 92 VAL HG21 H 1 1.0138100 . . . . . . . . 204 VAL HG2 . 50285 1 217 . 1 . 1 92 92 VAL HG22 H 1 1.0138100 . . . . . . . . 204 VAL HG2 . 50285 1 218 . 1 . 1 92 92 VAL HG23 H 1 1.0138100 . . . . . . . . 204 VAL HG2 . 50285 1 219 . 1 . 1 92 92 VAL CG1 C 13 20.9605400 . . . . . . . . 204 VAL CG1 . 50285 1 220 . 1 . 1 92 92 VAL CG2 C 13 20.0725600 . . . . . . . . 204 VAL CG2 . 50285 1 221 . 1 . 1 99 99 VAL HG11 H 1 0.4151455 . . . . . . . . 211 VAL HG1 . 50285 1 222 . 1 . 1 99 99 VAL HG12 H 1 0.4151455 . . . . . . . . 211 VAL HG1 . 50285 1 223 . 1 . 1 99 99 VAL HG13 H 1 0.4151455 . . . . . . . . 211 VAL HG1 . 50285 1 224 . 1 . 1 99 99 VAL HG21 H 1 0.7682055 . . . . . . . . 211 VAL HG2 . 50285 1 225 . 1 . 1 99 99 VAL HG22 H 1 0.7682055 . . . . . . . . 211 VAL HG2 . 50285 1 226 . 1 . 1 99 99 VAL HG23 H 1 0.7682055 . . . . . . . . 211 VAL HG2 . 50285 1 227 . 1 . 1 99 99 VAL CG1 C 13 20.7479000 . . . . . . . . 211 VAL CG1 . 50285 1 228 . 1 . 1 99 99 VAL CG2 C 13 21.0269300 . . . . . . . . 211 VAL CG2 . 50285 1 229 . 1 . 1 100 100 ALA HB1 H 1 1.2572970 . . . . . . . . 212 ALA HB . 50285 1 230 . 1 . 1 100 100 ALA HB2 H 1 1.2572970 . . . . . . . . 212 ALA HB . 50285 1 231 . 1 . 1 100 100 ALA HB3 H 1 1.2572970 . . . . . . . . 212 ALA HB . 50285 1 232 . 1 . 1 100 100 ALA CB C 13 21.8322500 . . . . . . . . 212 ALA CB . 50285 1 233 . 1 . 1 101 101 VAL HG11 H 1 0.2789258 . . . . . . . . 213 VAL HG1 . 50285 1 234 . 1 . 1 101 101 VAL HG12 H 1 0.2789258 . . . . . . . . 213 VAL HG1 . 50285 1 235 . 1 . 1 101 101 VAL HG13 H 1 0.2789258 . . . . . . . . 213 VAL HG1 . 50285 1 236 . 1 . 1 101 101 VAL HG21 H 1 0.6985097 . . . . . . . . 213 VAL HG2 . 50285 1 237 . 1 . 1 101 101 VAL HG22 H 1 0.6985097 . . . . . . . . 213 VAL HG2 . 50285 1 238 . 1 . 1 101 101 VAL HG23 H 1 0.6985097 . . . . . . . . 213 VAL HG2 . 50285 1 239 . 1 . 1 101 101 VAL CG1 C 13 20.1704400 . . . . . . . . 213 VAL CG1 . 50285 1 240 . 1 . 1 101 101 VAL CG2 C 13 22.9646700 . . . . . . . . 213 VAL CG2 . 50285 1 241 . 1 . 1 104 104 ALA HB1 H 1 1.3373140 . . . . . . . . 216 ALA HB . 50285 1 242 . 1 . 1 104 104 ALA HB2 H 1 1.3373140 . . . . . . . . 216 ALA HB . 50285 1 243 . 1 . 1 104 104 ALA HB3 H 1 1.3373140 . . . . . . . . 216 ALA HB . 50285 1 244 . 1 . 1 104 104 ALA CB C 13 20.6667600 . . . . . . . . 216 ALA CB . 50285 1 245 . 1 . 1 106 106 LEU HD11 H 1 0.8108156 . . . . . . . . 218 LEU HD1 . 50285 1 246 . 1 . 1 106 106 LEU HD12 H 1 0.8108156 . . . . . . . . 218 LEU HD1 . 50285 1 247 . 1 . 1 106 106 LEU HD13 H 1 0.8108156 . . . . . . . . 218 LEU HD1 . 50285 1 248 . 1 . 1 106 106 LEU HD21 H 1 0.8299190 . . . . . . . . 218 LEU HD2 . 50285 1 249 . 1 . 1 106 106 LEU HD22 H 1 0.8299190 . . . . . . . . 218 LEU HD2 . 50285 1 250 . 1 . 1 106 106 LEU HD23 H 1 0.8299190 . . . . . . . . 218 LEU HD2 . 50285 1 251 . 1 . 1 106 106 LEU CD1 C 13 21.9165200 . . . . . . . . 218 LEU CD1 . 50285 1 252 . 1 . 1 106 106 LEU CD2 C 13 26.1460600 . . . . . . . . 218 LEU CD2 . 50285 1 253 . 1 . 1 107 107 LEU HD11 H 1 0.9282412 . . . . . . . . 219 LEU HD1 . 50285 1 254 . 1 . 1 107 107 LEU HD12 H 1 0.9282412 . . . . . . . . 219 LEU HD1 . 50285 1 255 . 1 . 1 107 107 LEU HD13 H 1 0.9282412 . . . . . . . . 219 LEU HD1 . 50285 1 256 . 1 . 1 107 107 LEU HD21 H 1 0.9588753 . . . . . . . . 219 LEU HD2 . 50285 1 257 . 1 . 1 107 107 LEU HD22 H 1 0.9588753 . . . . . . . . 219 LEU HD2 . 50285 1 258 . 1 . 1 107 107 LEU HD23 H 1 0.9588753 . . . . . . . . 219 LEU HD2 . 50285 1 259 . 1 . 1 107 107 LEU CD1 C 13 24.3386000 . . . . . . . . 219 LEU CD1 . 50285 1 260 . 1 . 1 107 107 LEU CD2 C 13 8.2117010 . . . . . . . . 219 LEU CD2 . 50285 1 261 . 1 . 1 113 113 VAL HG11 H 1 0.8073124 . . . . . . . . 225 VAL HG1 . 50285 1 262 . 1 . 1 113 113 VAL HG12 H 1 0.8073124 . . . . . . . . 225 VAL HG1 . 50285 1 263 . 1 . 1 113 113 VAL HG13 H 1 0.8073124 . . . . . . . . 225 VAL HG1 . 50285 1 264 . 1 . 1 113 113 VAL HG21 H 1 0.9884689 . . . . . . . . 225 VAL HG2 . 50285 1 265 . 1 . 1 113 113 VAL HG22 H 1 0.9884689 . . . . . . . . 225 VAL HG2 . 50285 1 266 . 1 . 1 113 113 VAL HG23 H 1 0.9884689 . . . . . . . . 225 VAL HG2 . 50285 1 267 . 1 . 1 113 113 VAL CG1 C 13 20.4480700 . . . . . . . . 225 VAL CG1 . 50285 1 268 . 1 . 1 113 113 VAL CG2 C 13 21.4882600 . . . . . . . . 225 VAL CG2 . 50285 1 269 . 1 . 1 116 116 LEU HD11 H 1 -0.2940715 . . . . . . . . 228 LEU HD1 . 50285 1 270 . 1 . 1 116 116 LEU HD12 H 1 -0.2940715 . . . . . . . . 228 LEU HD1 . 50285 1 271 . 1 . 1 116 116 LEU HD13 H 1 -0.2940715 . . . . . . . . 228 LEU HD1 . 50285 1 272 . 1 . 1 116 116 LEU HD21 H 1 0.2843607 . . . . . . . . 228 LEU HD2 . 50285 1 273 . 1 . 1 116 116 LEU HD22 H 1 0.2843607 . . . . . . . . 228 LEU HD2 . 50285 1 274 . 1 . 1 116 116 LEU HD23 H 1 0.2843607 . . . . . . . . 228 LEU HD2 . 50285 1 275 . 1 . 1 116 116 LEU CD1 C 13 19.6002900 . . . . . . . . 228 LEU CD1 . 50285 1 276 . 1 . 1 116 116 LEU CD2 C 13 23.8750700 . . . . . . . . 228 LEU CD2 . 50285 1 277 . 1 . 1 119 119 ILE HG21 H 1 1.0749460 . . . . . . . . 231 ILE HG2 . 50285 1 278 . 1 . 1 119 119 ILE HG22 H 1 1.0749460 . . . . . . . . 231 ILE HG2 . 50285 1 279 . 1 . 1 119 119 ILE HG23 H 1 1.0749460 . . . . . . . . 231 ILE HG2 . 50285 1 280 . 1 . 1 119 119 ILE HD11 H 1 0.8909222 . . . . . . . . 231 ILE HD1 . 50285 1 281 . 1 . 1 119 119 ILE HD12 H 1 0.8909222 . . . . . . . . 231 ILE HD1 . 50285 1 282 . 1 . 1 119 119 ILE HD13 H 1 0.8909222 . . . . . . . . 231 ILE HD1 . 50285 1 283 . 1 . 1 119 119 ILE CG2 C 13 18.8326600 . . . . . . . . 231 ILE CG2 . 50285 1 284 . 1 . 1 119 119 ILE CD1 C 13 14.6811000 . . . . . . . . 231 ILE CD1 . 50285 1 285 . 1 . 1 122 122 LEU HD11 H 1 -0.3874504 . . . . . . . . 234 LEU HD1 . 50285 1 286 . 1 . 1 122 122 LEU HD12 H 1 -0.3874504 . . . . . . . . 234 LEU HD1 . 50285 1 287 . 1 . 1 122 122 LEU HD13 H 1 -0.3874504 . . . . . . . . 234 LEU HD1 . 50285 1 288 . 1 . 1 122 122 LEU HD21 H 1 0.5374208 . . . . . . . . 234 LEU HD2 . 50285 1 289 . 1 . 1 122 122 LEU HD22 H 1 0.5374208 . . . . . . . . 234 LEU HD2 . 50285 1 290 . 1 . 1 122 122 LEU HD23 H 1 0.5374208 . . . . . . . . 234 LEU HD2 . 50285 1 291 . 1 . 1 122 122 LEU CD1 C 13 21.6181200 . . . . . . . . 234 LEU CD1 . 50285 1 292 . 1 . 1 122 122 LEU CD2 C 13 26.3126400 . . . . . . . . 234 LEU CD2 . 50285 1 293 . 1 . 1 124 124 ILE HG21 H 1 0.8764908 . . . . . . . . 236 ILE HG2 . 50285 1 294 . 1 . 1 124 124 ILE HG22 H 1 0.8764908 . . . . . . . . 236 ILE HG2 . 50285 1 295 . 1 . 1 124 124 ILE HG23 H 1 0.8764908 . . . . . . . . 236 ILE HG2 . 50285 1 296 . 1 . 1 124 124 ILE HD11 H 1 0.8765507 . . . . . . . . 236 ILE HD1 . 50285 1 297 . 1 . 1 124 124 ILE HD12 H 1 0.8765507 . . . . . . . . 236 ILE HD1 . 50285 1 298 . 1 . 1 124 124 ILE HD13 H 1 0.8765507 . . . . . . . . 236 ILE HD1 . 50285 1 299 . 1 . 1 124 124 ILE CG2 C 13 18.2538900 . . . . . . . . 236 ILE CG2 . 50285 1 300 . 1 . 1 124 124 ILE CD1 C 13 15.5686700 . . . . . . . . 236 ILE CD1 . 50285 1 301 . 1 . 1 128 128 ILE HG21 H 1 0.7840077 . . . . . . . . 240 ILE HG2 . 50285 1 302 . 1 . 1 128 128 ILE HG22 H 1 0.7840077 . . . . . . . . 240 ILE HG2 . 50285 1 303 . 1 . 1 128 128 ILE HG23 H 1 0.7840077 . . . . . . . . 240 ILE HG2 . 50285 1 304 . 1 . 1 128 128 ILE HD11 H 1 0.6629615 . . . . . . . . 240 ILE HD1 . 50285 1 305 . 1 . 1 128 128 ILE HD12 H 1 0.6629615 . . . . . . . . 240 ILE HD1 . 50285 1 306 . 1 . 1 128 128 ILE HD13 H 1 0.6629615 . . . . . . . . 240 ILE HD1 . 50285 1 307 . 1 . 1 128 128 ILE CG2 C 13 19.2898900 . . . . . . . . 240 ILE CG2 . 50285 1 308 . 1 . 1 128 128 ILE CD1 C 13 13.8130100 . . . . . . . . 240 ILE CD1 . 50285 1 309 . 1 . 1 130 130 LEU HD11 H 1 0.4858569 . . . . . . . . 242 LEU HD1 . 50285 1 310 . 1 . 1 130 130 LEU HD12 H 1 0.4858569 . . . . . . . . 242 LEU HD1 . 50285 1 311 . 1 . 1 130 130 LEU HD13 H 1 0.4858569 . . . . . . . . 242 LEU HD1 . 50285 1 312 . 1 . 1 130 130 LEU HD21 H 1 0.8440461 . . . . . . . . 242 LEU HD2 . 50285 1 313 . 1 . 1 130 130 LEU HD22 H 1 0.8440461 . . . . . . . . 242 LEU HD2 . 50285 1 314 . 1 . 1 130 130 LEU HD23 H 1 0.8440461 . . . . . . . . 242 LEU HD2 . 50285 1 315 . 1 . 1 130 130 LEU CD1 C 13 27.0922400 . . . . . . . . 242 LEU CD1 . 50285 1 316 . 1 . 1 130 130 LEU CD2 C 13 26.4316700 . . . . . . . . 242 LEU CD2 . 50285 1 317 . 1 . 1 131 131 THR HG21 H 1 1.0727900 . . . . . . . . 243 THR HG2 . 50285 1 318 . 1 . 1 131 131 THR HG22 H 1 1.0727900 . . . . . . . . 243 THR HG2 . 50285 1 319 . 1 . 1 131 131 THR HG23 H 1 1.0727900 . . . . . . . . 243 THR HG2 . 50285 1 320 . 1 . 1 131 131 THR CG2 C 13 21.7612700 . . . . . . . . 243 THR CG2 . 50285 1 321 . 1 . 1 133 133 ALA HB1 H 1 1.1967620 . . . . . . . . 245 ALA HB . 50285 1 322 . 1 . 1 133 133 ALA HB2 H 1 1.1967620 . . . . . . . . 245 ALA HB . 50285 1 323 . 1 . 1 133 133 ALA HB3 H 1 1.1967620 . . . . . . . . 245 ALA HB . 50285 1 324 . 1 . 1 133 133 ALA CB C 13 21.3002700 . . . . . . . . 245 ALA CB . 50285 1 325 . 1 . 1 136 136 THR HG21 H 1 1.1279000 . . . . . . . . 248 THR HG2 . 50285 1 326 . 1 . 1 136 136 THR HG22 H 1 1.1279000 . . . . . . . . 248 THR HG2 . 50285 1 327 . 1 . 1 136 136 THR HG23 H 1 1.1279000 . . . . . . . . 248 THR HG2 . 50285 1 328 . 1 . 1 136 136 THR CG2 C 13 19.1225400 . . . . . . . . 248 THR CG2 . 50285 1 329 . 1 . 1 137 137 MET HE1 H 1 2.0472620 . . . . . . . . 249 MET HE . 50285 1 330 . 1 . 1 137 137 MET HE2 H 1 2.0472620 . . . . . . . . 249 MET HE . 50285 1 331 . 1 . 1 137 137 MET HE3 H 1 2.0472620 . . . . . . . . 249 MET HE . 50285 1 332 . 1 . 1 137 137 MET CE C 13 15.9324800 . . . . . . . . 249 MET CE . 50285 1 333 . 1 . 1 138 138 ILE HG21 H 1 0.8715772 . . . . . . . . 250 ILE HG2 . 50285 1 334 . 1 . 1 138 138 ILE HG22 H 1 0.8715772 . . . . . . . . 250 ILE HG2 . 50285 1 335 . 1 . 1 138 138 ILE HG23 H 1 0.8715772 . . . . . . . . 250 ILE HG2 . 50285 1 336 . 1 . 1 138 138 ILE HD11 H 1 0.8373467 . . . . . . . . 250 ILE HD1 . 50285 1 337 . 1 . 1 138 138 ILE HD12 H 1 0.8373467 . . . . . . . . 250 ILE HD1 . 50285 1 338 . 1 . 1 138 138 ILE HD13 H 1 0.8373467 . . . . . . . . 250 ILE HD1 . 50285 1 339 . 1 . 1 138 138 ILE CG2 C 13 19.1350700 . . . . . . . . 250 ILE CG2 . 50285 1 340 . 1 . 1 138 138 ILE CD1 C 13 14.5048000 . . . . . . . . 250 ILE CD1 . 50285 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 50285 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'O-complex 15N-HSCQ' _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-15N HSQC' . . . 50285 2 13 '3D HNCACB' . . . 50285 2 14 '3D CBCA(CO)NH' . . . 50285 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 . . 50285 2 3 $software_3 . . 50285 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 2 2 LEU H H 1 8.278654 . . . . . . . . 114 LEU H . 50285 2 2 . 1 . 1 2 2 LEU N N 15 123.7722 . . . . . . . . 114 LEU N . 50285 2 3 . 1 . 1 3 3 ILE H H 1 8.218474 . . . . . . . . 115 ILE H . 50285 2 4 . 1 . 1 3 3 ILE N N 15 123.0042 . . . . . . . . 115 ILE N . 50285 2 5 . 1 . 1 4 4 VAL H H 1 7.869304 . . . . . . . . 116 VAL H . 50285 2 6 . 1 . 1 4 4 VAL N N 15 122.3657 . . . . . . . . 116 VAL N . 50285 2 7 . 1 . 1 6 6 TYR H H 1 9.111213 . . . . . . . . 118 TYR H . 50285 2 8 . 1 . 1 6 6 TYR N N 15 125.9212 . . . . . . . . 118 TYR N . 50285 2 9 . 1 . 1 7 7 ASN H H 1 7.715049 . . . . . . . . 119 ASN H . 50285 2 10 . 1 . 1 7 7 ASN N N 15 126.0822 . . . . . . . . 119 ASN N . 50285 2 11 . 1 . 1 8 8 LEU H H 1 9.334633 . . . . . . . . 120 LEU H . 50285 2 12 . 1 . 1 8 8 LEU N N 15 128.0536 . . . . . . . . 120 LEU N . 50285 2 13 . 1 . 1 10 10 LEU H H 1 7.779228 . . . . . . . . 122 LEU H . 50285 2 14 . 1 . 1 10 10 LEU N N 15 122.3648 . . . . . . . . 122 LEU N . 50285 2 15 . 1 . 1 12 12 GLY H H 1 8.780710 . . . . . . . . 124 GLY H . 50285 2 16 . 1 . 1 12 12 GLY N N 15 112.7570 . . . . . . . . 124 GLY N . 50285 2 17 . 1 . 1 13 13 GLY H H 1 8.202392 . . . . . . . . 125 GLY H . 50285 2 18 . 1 . 1 13 13 GLY N N 15 108.8809 . . . . . . . . 125 GLY N . 50285 2 19 . 1 . 1 14 14 VAL H H 1 7.101917 . . . . . . . . 126 VAL H . 50285 2 20 . 1 . 1 14 14 VAL N N 15 113.5650 . . . . . . . . 126 VAL N . 50285 2 21 . 1 . 1 15 15 VAL H H 1 6.478028 . . . . . . . . 127 VAL H . 50285 2 22 . 1 . 1 15 15 VAL N N 15 116.8230 . . . . . . . . 127 VAL N . 50285 2 23 . 1 . 1 17 17 ARG H H 1 8.680144 . . . . . . . . 129 ARG H . 50285 2 24 . 1 . 1 17 17 ARG N N 15 112.5478 . . . . . . . . 129 ARG N . 50285 2 25 . 1 . 1 18 18 MET H H 1 7.817552 . . . . . . . . 130 MET H . 50285 2 26 . 1 . 1 18 18 MET N N 15 119.2149 . . . . . . . . 130 MET N . 50285 2 27 . 1 . 1 19 19 LEU H H 1 9.136359 . . . . . . . . 131 LEU H . 50285 2 28 . 1 . 1 19 19 LEU N N 15 128.4980 . . . . . . . . 131 LEU N . 50285 2 29 . 1 . 1 20 20 ILE H H 1 9.864741 . . . . . . . . 132 ILE H . 50285 2 30 . 1 . 1 20 20 ILE N N 15 132.3232 . . . . . . . . 132 ILE N . 50285 2 31 . 1 . 1 21 21 THR H H 1 9.064687 . . . . . . . . 133 THR H . 50285 2 32 . 1 . 1 21 21 THR N N 15 123.6483 . . . . . . . . 133 THR N . 50285 2 33 . 1 . 1 22 22 ILE H H 1 9.610842 . . . . . . . . 134 ILE H . 50285 2 34 . 1 . 1 22 22 ILE N N 15 130.0325 . . . . . . . . 134 ILE N . 50285 2 35 . 1 . 1 23 23 LEU H H 1 8.754560 . . . . . . . . 135 LEU H . 50285 2 36 . 1 . 1 23 23 LEU N N 15 126.9588 . . . . . . . . 135 LEU N . 50285 2 37 . 1 . 1 24 24 GLY H H 1 6.905605 . . . . . . . . 136 GLY H . 50285 2 38 . 1 . 1 24 24 GLY N N 15 108.4422 . . . . . . . . 136 GLY N . 50285 2 39 . 1 . 1 25 25 THR H H 1 8.892241 . . . . . . . . 137 THR H . 50285 2 40 . 1 . 1 25 25 THR N N 15 115.8498 . . . . . . . . 137 THR N . 50285 2 41 . 1 . 1 26 26 VAL H H 1 8.327285 . . . . . . . . 138 VAL H . 50285 2 42 . 1 . 1 26 26 VAL N N 15 128.1606 . . . . . . . . 138 VAL N . 50285 2 43 . 1 . 1 27 27 LYS H H 1 8.140523 . . . . . . . . 139 LYS H . 50285 2 44 . 1 . 1 27 27 LYS N N 15 128.5464 . . . . . . . . 139 LYS N . 50285 2 45 . 1 . 1 29 29 ASN H H 1 8.372257 . . . . . . . . 141 ASN H . 50285 2 46 . 1 . 1 29 29 ASN N N 15 115.7061 . . . . . . . . 141 ASN N . 50285 2 47 . 1 . 1 30 30 ALA H H 1 6.837688 . . . . . . . . 142 ALA H . 50285 2 48 . 1 . 1 30 30 ALA N N 15 119.4129 . . . . . . . . 142 ALA N . 50285 2 49 . 1 . 1 31 31 ASN H H 1 9.558527 . . . . . . . . 143 ASN H . 50285 2 50 . 1 . 1 31 31 ASN N N 15 116.7304 . . . . . . . . 143 ASN N . 50285 2 51 . 1 . 1 32 32 ARG H H 1 8.652484 . . . . . . . . 144 ARG H . 50285 2 52 . 1 . 1 32 32 ARG N N 15 116.2491 . . . . . . . . 144 ARG N . 50285 2 53 . 1 . 1 33 33 ILE H H 1 8.134447 . . . . . . . . 145 ILE H . 50285 2 54 . 1 . 1 33 33 ILE N N 15 119.3641 . . . . . . . . 145 ILE N . 50285 2 55 . 1 . 1 34 34 ALA H H 1 8.803440 . . . . . . . . 146 ALA H . 50285 2 56 . 1 . 1 34 34 ALA N N 15 127.3790 . . . . . . . . 146 ALA N . 50285 2 57 . 1 . 1 35 35 LEU H H 1 8.278092 . . . . . . . . 147 LEU H . 50285 2 58 . 1 . 1 35 35 LEU N N 15 121.2508 . . . . . . . . 147 LEU N . 50285 2 59 . 1 . 1 36 36 ASP H H 1 8.950480 . . . . . . . . 148 ASP H . 50285 2 60 . 1 . 1 36 36 ASP N N 15 120.6631 . . . . . . . . 148 ASP N . 50285 2 61 . 1 . 1 37 37 PHE H H 1 9.275081 . . . . . . . . 149 PHE H . 50285 2 62 . 1 . 1 37 37 PHE N N 15 125.3407 . . . . . . . . 149 PHE N . 50285 2 63 . 1 . 1 38 38 GLN H H 1 9.088898 . . . . . . . . 150 GLN H . 50285 2 64 . 1 . 1 38 38 GLN N N 15 127.2774 . . . . . . . . 150 GLN N . 50285 2 65 . 1 . 1 39 39 ARG H H 1 8.084488 . . . . . . . . 151 ARG H . 50285 2 66 . 1 . 1 39 39 ARG N N 15 125.4364 . . . . . . . . 151 ARG N . 50285 2 67 . 1 . 1 42 42 ASP H H 1 8.406291 . . . . . . . . 154 ASP H . 50285 2 68 . 1 . 1 42 42 ASP N N 15 119.9135 . . . . . . . . 154 ASP N . 50285 2 69 . 1 . 1 43 43 VAL H H 1 9.193382 . . . . . . . . 155 VAL H . 50285 2 70 . 1 . 1 43 43 VAL N N 15 120.9234 . . . . . . . . 155 VAL N . 50285 2 71 . 1 . 1 44 44 ALA H H 1 8.875598 . . . . . . . . 156 ALA H . 50285 2 72 . 1 . 1 44 44 ALA N N 15 127.9375 . . . . . . . . 156 ALA N . 50285 2 73 . 1 . 1 45 45 PHE H H 1 7.573636 . . . . . . . . 157 PHE H . 50285 2 74 . 1 . 1 45 45 PHE N N 15 118.7842 . . . . . . . . 157 PHE N . 50285 2 75 . 1 . 1 46 46 HIS H H 1 9.267780 . . . . . . . . 158 HIS H . 50285 2 76 . 1 . 1 46 46 HIS N N 15 133.3810 . . . . . . . . 158 HIS N . 50285 2 77 . 1 . 1 47 47 PHE H H 1 8.368846 . . . . . . . . 159 PHE H . 50285 2 78 . 1 . 1 47 47 PHE N N 15 127.1236 . . . . . . . . 159 PHE N . 50285 2 79 . 1 . 1 48 48 ASN H H 1 8.374623 . . . . . . . . 160 ASN H . 50285 2 80 . 1 . 1 48 48 ASN N N 15 122.8168 . . . . . . . . 160 ASN N . 50285 2 81 . 1 . 1 50 50 ARG H H 1 9.275398 . . . . . . . . 162 ARG H . 50285 2 82 . 1 . 1 50 50 ARG N N 15 126.0540 . . . . . . . . 162 ARG N . 50285 2 83 . 1 . 1 51 51 PHE H H 1 8.189478 . . . . . . . . 163 PHE H . 50285 2 84 . 1 . 1 51 51 PHE N N 15 118.6316 . . . . . . . . 163 PHE N . 50285 2 85 . 1 . 1 52 52 ASN H H 1 8.687674 . . . . . . . . 164 ASN H . 50285 2 86 . 1 . 1 52 52 ASN N N 15 117.5791 . . . . . . . . 164 ASN N . 50285 2 87 . 1 . 1 53 53 GLU H H 1 8.927950 . . . . . . . . 165 GLU H . 50285 2 88 . 1 . 1 53 53 GLU N N 15 125.5617 . . . . . . . . 165 GLU N . 50285 2 89 . 1 . 1 55 55 ASN H H 1 8.000641 . . . . . . . . 167 ASN H . 50285 2 90 . 1 . 1 55 55 ASN N N 15 108.0458 . . . . . . . . 167 ASN N . 50285 2 91 . 1 . 1 56 56 ARG H H 1 7.357717 . . . . . . . . 168 ARG H . 50285 2 92 . 1 . 1 56 56 ARG N N 15 117.2597 . . . . . . . . 168 ARG N . 50285 2 93 . 1 . 1 57 57 ARG H H 1 7.857959 . . . . . . . . 169 ARG H . 50285 2 94 . 1 . 1 57 57 ARG N N 15 118.8638 . . . . . . . . 169 ARG N . 50285 2 95 . 1 . 1 58 58 VAL H H 1 8.545282 . . . . . . . . 170 VAL H . 50285 2 96 . 1 . 1 58 58 VAL N N 15 121.7941 . . . . . . . . 170 VAL N . 50285 2 97 . 1 . 1 59 59 ILE H H 1 8.740715 . . . . . . . . 171 ILE H . 50285 2 98 . 1 . 1 59 59 ILE N N 15 124.8037 . . . . . . . . 171 ILE N . 50285 2 99 . 1 . 1 60 60 VAL H H 1 7.316244 . . . . . . . . 172 VAL H . 50285 2 100 . 1 . 1 60 60 VAL N N 15 127.8661 . . . . . . . . 172 VAL N . 50285 2 101 . 1 . 1 61 61 CYS H H 1 8.883210 . . . . . . . . 173 CYS H . 50285 2 102 . 1 . 1 61 61 CYS N N 15 123.9038 . . . . . . . . 173 CYS N . 50285 2 103 . 1 . 1 62 62 ASN H H 1 8.958046 . . . . . . . . 174 ASN H . 50285 2 104 . 1 . 1 62 62 ASN N N 15 119.2581 . . . . . . . . 174 ASN N . 50285 2 105 . 1 . 1 63 63 THR H H 1 9.997203 . . . . . . . . 175 THR H . 50285 2 106 . 1 . 1 63 63 THR N N 15 118.6170 . . . . . . . . 175 THR N . 50285 2 107 . 1 . 1 64 64 LYS H H 1 9.069432 . . . . . . . . 176 LYS H . 50285 2 108 . 1 . 1 64 64 LYS N N 15 130.6854 . . . . . . . . 176 LYS N . 50285 2 109 . 1 . 1 65 65 LEU H H 1 7.881344 . . . . . . . . 177 LEU H . 50285 2 110 . 1 . 1 65 65 LEU N N 15 126.1381 . . . . . . . . 177 LEU N . 50285 2 111 . 1 . 1 66 66 ASP H H 1 8.944370 . . . . . . . . 178 ASP H . 50285 2 112 . 1 . 1 66 66 ASP N N 15 125.9137 . . . . . . . . 178 ASP N . 50285 2 113 . 1 . 1 67 67 ASN H H 1 9.157188 . . . . . . . . 179 ASN H . 50285 2 114 . 1 . 1 67 67 ASN N N 15 108.4581 . . . . . . . . 179 ASN N . 50285 2 115 . 1 . 1 68 68 ASN H H 1 7.759317 . . . . . . . . 180 ASN H . 50285 2 116 . 1 . 1 68 68 ASN N N 15 117.7470 . . . . . . . . 180 ASN N . 50285 2 117 . 1 . 1 69 69 TRP H H 1 8.938152 . . . . . . . . 181 TRP H . 50285 2 118 . 1 . 1 69 69 TRP N N 15 126.8572 . . . . . . . . 181 TRP N . 50285 2 119 . 1 . 1 70 70 GLY H H 1 8.192896 . . . . . . . . 182 GLY H . 50285 2 120 . 1 . 1 70 70 GLY N N 15 110.3783 . . . . . . . . 182 GLY N . 50285 2 121 . 1 . 1 71 71 ARG H H 1 8.672206 . . . . . . . . 183 ARG H . 50285 2 122 . 1 . 1 71 71 ARG N N 15 124.8467 . . . . . . . . 183 ARG N . 50285 2 123 . 1 . 1 72 72 GLU H H 1 8.844540 . . . . . . . . 184 GLU H . 50285 2 124 . 1 . 1 72 72 GLU N N 15 125.2019 . . . . . . . . 184 GLU N . 50285 2 125 . 1 . 1 73 73 GLU H H 1 9.106633 . . . . . . . . 185 GLU H . 50285 2 126 . 1 . 1 73 73 GLU N N 15 122.1316 . . . . . . . . 185 GLU N . 50285 2 127 . 1 . 1 74 74 ARG H H 1 8.898241 . . . . . . . . 186 ARG H . 50285 2 128 . 1 . 1 74 74 ARG N N 15 124.8027 . . . . . . . . 186 ARG N . 50285 2 129 . 1 . 1 75 75 GLN H H 1 8.776537 . . . . . . . . 187 GLN H . 50285 2 130 . 1 . 1 75 75 GLN N N 15 121.6959 . . . . . . . . 187 GLN N . 50285 2 131 . 1 . 1 77 77 VAL H H 1 7.840614 . . . . . . . . 189 VAL H . 50285 2 132 . 1 . 1 77 77 VAL N N 15 125.5583 . . . . . . . . 189 VAL N . 50285 2 133 . 1 . 1 78 78 PHE H H 1 8.316448 . . . . . . . . 190 PHE H . 50285 2 134 . 1 . 1 78 78 PHE N N 15 125.5466 . . . . . . . . 190 PHE N . 50285 2 135 . 1 . 1 80 80 PHE H H 1 5.759206 . . . . . . . . 192 PHE H . 50285 2 136 . 1 . 1 80 80 PHE N N 15 113.8160 . . . . . . . . 192 PHE N . 50285 2 137 . 1 . 1 81 81 GLU H H 1 9.191556 . . . . . . . . 193 GLU H . 50285 2 138 . 1 . 1 81 81 GLU N N 15 119.9006 . . . . . . . . 193 GLU N . 50285 2 139 . 1 . 1 82 82 SER H H 1 9.027076 . . . . . . . . 194 SER H . 50285 2 140 . 1 . 1 82 82 SER N N 15 120.5266 . . . . . . . . 194 SER N . 50285 2 141 . 1 . 1 83 83 GLY H H 1 7.048655 . . . . . . . . 195 GLY H . 50285 2 142 . 1 . 1 83 83 GLY N N 15 112.5729 . . . . . . . . 195 GLY N . 50285 2 143 . 1 . 1 84 84 LYS H H 1 7.731459 . . . . . . . . 196 LYS H . 50285 2 144 . 1 . 1 84 84 LYS N N 15 118.0984 . . . . . . . . 196 LYS N . 50285 2 145 . 1 . 1 86 86 PHE H H 1 8.696844 . . . . . . . . 198 PHE H . 50285 2 146 . 1 . 1 86 86 PHE N N 15 116.2910 . . . . . . . . 198 PHE N . 50285 2 147 . 1 . 1 87 87 LYS H H 1 8.076766 . . . . . . . . 199 LYS H . 50285 2 148 . 1 . 1 87 87 LYS N N 15 121.6205 . . . . . . . . 199 LYS N . 50285 2 149 . 1 . 1 88 88 ILE H H 1 9.767255 . . . . . . . . 200 ILE H . 50285 2 150 . 1 . 1 88 88 ILE N N 15 127.3449 . . . . . . . . 200 ILE N . 50285 2 151 . 1 . 1 89 89 GLN H H 1 9.263934 . . . . . . . . 201 GLN H . 50285 2 152 . 1 . 1 89 89 GLN N N 15 125.1562 . . . . . . . . 201 GLN N . 50285 2 153 . 1 . 1 90 90 VAL H H 1 9.528576 . . . . . . . . 202 VAL H . 50285 2 154 . 1 . 1 90 90 VAL N N 15 124.0380 . . . . . . . . 202 VAL N . 50285 2 155 . 1 . 1 91 91 LEU H H 1 9.406748 . . . . . . . . 203 LEU H . 50285 2 156 . 1 . 1 91 91 LEU N N 15 130.4967 . . . . . . . . 203 LEU N . 50285 2 157 . 1 . 1 92 92 VAL H H 1 8.966794 . . . . . . . . 204 VAL H . 50285 2 158 . 1 . 1 92 92 VAL N N 15 127.4180 . . . . . . . . 204 VAL N . 50285 2 159 . 1 . 1 93 93 GLU H H 1 8.297192 . . . . . . . . 205 GLU H . 50285 2 160 . 1 . 1 93 93 GLU N N 15 128.2208 . . . . . . . . 205 GLU N . 50285 2 161 . 1 . 1 95 95 ASP H H 1 7.946173 . . . . . . . . 207 ASP H . 50285 2 162 . 1 . 1 95 95 ASP N N 15 107.1136 . . . . . . . . 207 ASP N . 50285 2 163 . 1 . 1 96 96 HIS H H 1 6.439445 . . . . . . . . 208 HIS H . 50285 2 164 . 1 . 1 96 96 HIS N N 15 116.1475 . . . . . . . . 208 HIS N . 50285 2 165 . 1 . 1 97 97 PHE H H 1 8.491124 . . . . . . . . 209 PHE H . 50285 2 166 . 1 . 1 97 97 PHE N N 15 114.6112 . . . . . . . . 209 PHE N . 50285 2 167 . 1 . 1 98 98 LYS H H 1 9.659566 . . . . . . . . 210 LYS H . 50285 2 168 . 1 . 1 98 98 LYS N N 15 123.5823 . . . . . . . . 210 LYS N . 50285 2 169 . 1 . 1 99 99 VAL H H 1 9.062325 . . . . . . . . 211 VAL H . 50285 2 170 . 1 . 1 99 99 VAL N N 15 123.4692 . . . . . . . . 211 VAL N . 50285 2 171 . 1 . 1 100 100 ALA H H 1 9.230667 . . . . . . . . 212 ALA H . 50285 2 172 . 1 . 1 100 100 ALA N N 15 130.4351 . . . . . . . . 212 ALA N . 50285 2 173 . 1 . 1 101 101 VAL H H 1 8.438092 . . . . . . . . 213 VAL H . 50285 2 174 . 1 . 1 101 101 VAL N N 15 121.0371 . . . . . . . . 213 VAL N . 50285 2 175 . 1 . 1 102 102 ASN H H 1 9.849651 . . . . . . . . 214 ASN H . 50285 2 176 . 1 . 1 102 102 ASN N N 15 127.4197 . . . . . . . . 214 ASN N . 50285 2 177 . 1 . 1 103 103 ASP H H 1 8.927258 . . . . . . . . 215 ASP H . 50285 2 178 . 1 . 1 103 103 ASP N N 15 107.7675 . . . . . . . . 215 ASP N . 50285 2 179 . 1 . 1 104 104 ALA H H 1 7.628856 . . . . . . . . 216 ALA H . 50285 2 180 . 1 . 1 104 104 ALA N N 15 121.6451 . . . . . . . . 216 ALA N . 50285 2 181 . 1 . 1 106 106 LEU H H 1 8.865728 . . . . . . . . 218 LEU H . 50285 2 182 . 1 . 1 106 106 LEU N N 15 127.9652 . . . . . . . . 218 LEU N . 50285 2 183 . 1 . 1 107 107 LEU H H 1 7.520379 . . . . . . . . 219 LEU H . 50285 2 184 . 1 . 1 107 107 LEU N N 15 110.0820 . . . . . . . . 219 LEU N . 50285 2 185 . 1 . 1 108 108 GLN H H 1 8.724302 . . . . . . . . 220 GLN H . 50285 2 186 . 1 . 1 108 108 GLN N N 15 119.0682 . . . . . . . . 220 GLN N . 50285 2 187 . 1 . 1 109 109 TYR H H 1 8.891707 . . . . . . . . 221 TYR H . 50285 2 188 . 1 . 1 109 109 TYR N N 15 125.5780 . . . . . . . . 221 TYR N . 50285 2 189 . 1 . 1 110 110 ASN H H 1 9.278383 . . . . . . . . 222 ASN H . 50285 2 190 . 1 . 1 110 110 ASN N N 15 129.7948 . . . . . . . . 222 ASN N . 50285 2 191 . 1 . 1 111 111 HIS H H 1 7.113727 . . . . . . . . 223 HIS H . 50285 2 192 . 1 . 1 111 111 HIS N N 15 117.2100 . . . . . . . . 223 HIS N . 50285 2 193 . 1 . 1 112 112 ARG H H 1 9.434951 . . . . . . . . 224 ARG H . 50285 2 194 . 1 . 1 112 112 ARG N N 15 125.3584 . . . . . . . . 224 ARG N . 50285 2 195 . 1 . 1 113 113 VAL H H 1 8.312952 . . . . . . . . 225 VAL H . 50285 2 196 . 1 . 1 113 113 VAL N N 15 120.5239 . . . . . . . . 225 VAL N . 50285 2 197 . 1 . 1 115 115 LYS H H 1 7.048115 . . . . . . . . 227 LYS H . 50285 2 198 . 1 . 1 115 115 LYS N N 15 120.6500 . . . . . . . . 227 LYS N . 50285 2 199 . 1 . 1 116 116 LEU H H 1 7.596653 . . . . . . . . 228 LEU H . 50285 2 200 . 1 . 1 116 116 LEU N N 15 122.8834 . . . . . . . . 228 LEU N . 50285 2 201 . 1 . 1 117 117 ASN H H 1 8.344985 . . . . . . . . 229 ASN H . 50285 2 202 . 1 . 1 117 117 ASN N N 15 112.8493 . . . . . . . . 229 ASN N . 50285 2 203 . 1 . 1 118 118 GLU H H 1 7.356451 . . . . . . . . 230 GLU H . 50285 2 204 . 1 . 1 118 118 GLU N N 15 116.3870 . . . . . . . . 230 GLU N . 50285 2 205 . 1 . 1 119 119 ILE H H 1 7.652458 . . . . . . . . 231 ILE H . 50285 2 206 . 1 . 1 119 119 ILE N N 15 122.1800 . . . . . . . . 231 ILE N . 50285 2 207 . 1 . 1 120 120 SER H H 1 7.653547 . . . . . . . . 232 SER H . 50285 2 208 . 1 . 1 120 120 SER N N 15 116.1573 . . . . . . . . 232 SER N . 50285 2 209 . 1 . 1 121 121 LYS H H 1 7.821197 . . . . . . . . 233 LYS H . 50285 2 210 . 1 . 1 121 121 LYS N N 15 120.8652 . . . . . . . . 233 LYS N . 50285 2 211 . 1 . 1 122 122 LEU H H 1 8.551607 . . . . . . . . 234 LEU H . 50285 2 212 . 1 . 1 122 122 LEU N N 15 124.5001 . . . . . . . . 234 LEU N . 50285 2 213 . 1 . 1 123 123 GLY H H 1 9.279103 . . . . . . . . 235 GLY H . 50285 2 214 . 1 . 1 123 123 GLY N N 15 114.4232 . . . . . . . . 235 GLY N . 50285 2 215 . 1 . 1 124 124 ILE H H 1 9.194486 . . . . . . . . 236 ILE H . 50285 2 216 . 1 . 1 124 124 ILE N N 15 126.7284 . . . . . . . . 236 ILE N . 50285 2 217 . 1 . 1 125 125 SER H H 1 9.185355 . . . . . . . . 237 SER H . 50285 2 218 . 1 . 1 125 125 SER N N 15 119.8992 . . . . . . . . 237 SER N . 50285 2 219 . 1 . 1 126 126 GLY H H 1 9.037090 . . . . . . . . 238 GLY H . 50285 2 220 . 1 . 1 126 126 GLY N N 15 106.4415 . . . . . . . . 238 GLY N . 50285 2 221 . 1 . 1 127 127 ASP H H 1 8.549674 . . . . . . . . 239 ASP H . 50285 2 222 . 1 . 1 127 127 ASP N N 15 121.9530 . . . . . . . . 239 ASP N . 50285 2 223 . 1 . 1 128 128 ILE H H 1 7.933033 . . . . . . . . 240 ILE H . 50285 2 224 . 1 . 1 128 128 ILE N N 15 112.3671 . . . . . . . . 240 ILE N . 50285 2 225 . 1 . 1 129 129 ASP H H 1 8.857289 . . . . . . . . 241 ASP H . 50285 2 226 . 1 . 1 129 129 ASP N N 15 121.1024 . . . . . . . . 241 ASP N . 50285 2 227 . 1 . 1 130 130 LEU H H 1 9.246537 . . . . . . . . 242 LEU H . 50285 2 228 . 1 . 1 130 130 LEU N N 15 126.3464 . . . . . . . . 242 LEU N . 50285 2 229 . 1 . 1 131 131 THR H H 1 8.983822 . . . . . . . . 243 THR H . 50285 2 230 . 1 . 1 131 131 THR N N 15 121.4161 . . . . . . . . 243 THR N . 50285 2 231 . 1 . 1 132 132 SER H H 1 7.734739 . . . . . . . . 244 SER H . 50285 2 232 . 1 . 1 132 132 SER N N 15 111.9759 . . . . . . . . 244 SER N . 50285 2 233 . 1 . 1 133 133 ALA H H 1 8.267023 . . . . . . . . 245 ALA H . 50285 2 234 . 1 . 1 133 133 ALA N N 15 125.8590 . . . . . . . . 245 ALA N . 50285 2 235 . 1 . 1 134 134 SER H H 1 8.532378 . . . . . . . . 246 SER H . 50285 2 236 . 1 . 1 134 134 SER N N 15 115.2161 . . . . . . . . 246 SER N . 50285 2 237 . 1 . 1 135 135 TYR H H 1 8.324766 . . . . . . . . 247 TYR H . 50285 2 238 . 1 . 1 135 135 TYR N N 15 115.1980 . . . . . . . . 247 TYR N . 50285 2 239 . 1 . 1 136 136 THR H H 1 8.843580 . . . . . . . . 248 THR H . 50285 2 240 . 1 . 1 136 136 THR N N 15 115.1348 . . . . . . . . 248 THR N . 50285 2 241 . 1 . 1 137 137 MET H H 1 8.080506 . . . . . . . . 249 MET H . 50285 2 242 . 1 . 1 137 137 MET N N 15 120.7755 . . . . . . . . 249 MET N . 50285 2 243 . 1 . 1 138 138 ILE H H 1 8.569327 . . . . . . . . 250 ILE H . 50285 2 244 . 1 . 1 138 138 ILE N N 15 125.1859 . . . . . . . . 250 ILE N . 50285 2 stop_ save_