################################### # 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 50284 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'P-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 1 '2D 1H-15N HSQC' . . . 50284 1 12 '2D 1H-13C HSQC aliphatic' . . . 50284 1 13 '3D HNCACB' . . . 50284 1 14 '3D CBCA(CO)NH' . . . 50284 1 15 '3D HCCH-TOCSY' . . . 50284 1 24 '3D CCH-TOCSY' . . . 50284 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 . . 50284 1 3 $software_3 . . 50284 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 0.2233909 . . . . . . . . 114 LEU HD1 . 50284 1 2 . 1 . 1 2 2 LEU HD12 H 1 0.2233909 . . . . . . . . 114 LEU HD1 . 50284 1 3 . 1 . 1 2 2 LEU HD13 H 1 0.2233909 . . . . . . . . 114 LEU HD1 . 50284 1 4 . 1 . 1 2 2 LEU HD21 H 1 0.6920571 . . . . . . . . 114 LEU HD2 . 50284 1 5 . 1 . 1 2 2 LEU HD22 H 1 0.6920571 . . . . . . . . 114 LEU HD2 . 50284 1 6 . 1 . 1 2 2 LEU HD23 H 1 0.6920571 . . . . . . . . 114 LEU HD2 . 50284 1 7 . 1 . 1 2 2 LEU CD1 C 13 23.6937900 . . . . . . . . 114 LEU CD1 . 50284 1 8 . 1 . 1 2 2 LEU CD2 C 13 21.9760400 . . . . . . . . 114 LEU CD2 . 50284 1 9 . 1 . 1 3 3 ILE HG21 H 1 0.9441638 . . . . . . . . 115 ILE HG2 . 50284 1 10 . 1 . 1 3 3 ILE HG22 H 1 0.9441638 . . . . . . . . 115 ILE HG2 . 50284 1 11 . 1 . 1 3 3 ILE HG23 H 1 0.9441638 . . . . . . . . 115 ILE HG2 . 50284 1 12 . 1 . 1 3 3 ILE HD11 H 1 0.9132430 . . . . . . . . 115 ILE HD1 . 50284 1 13 . 1 . 1 3 3 ILE HD12 H 1 0.9132430 . . . . . . . . 115 ILE HD1 . 50284 1 14 . 1 . 1 3 3 ILE HD13 H 1 0.9132430 . . . . . . . . 115 ILE HD1 . 50284 1 15 . 1 . 1 3 3 ILE CG2 C 13 17.2972300 . . . . . . . . 115 ILE CG2 . 50284 1 16 . 1 . 1 3 3 ILE CD1 C 13 12.2945400 . . . . . . . . 115 ILE CD1 . 50284 1 17 . 1 . 1 4 4 VAL HG11 H 1 1.0813250 . . . . . . . . 116 VAL HG1 . 50284 1 18 . 1 . 1 4 4 VAL HG12 H 1 1.0813250 . . . . . . . . 116 VAL HG1 . 50284 1 19 . 1 . 1 4 4 VAL HG13 H 1 1.0813250 . . . . . . . . 116 VAL HG1 . 50284 1 20 . 1 . 1 4 4 VAL HG21 H 1 1.1752730 . . . . . . . . 116 VAL HG2 . 50284 1 21 . 1 . 1 4 4 VAL HG22 H 1 1.1752730 . . . . . . . . 116 VAL HG2 . 50284 1 22 . 1 . 1 4 4 VAL HG23 H 1 1.1752730 . . . . . . . . 116 VAL HG2 . 50284 1 23 . 1 . 1 4 4 VAL CG1 C 13 21.8817500 . . . . . . . . 116 VAL CG1 . 50284 1 24 . 1 . 1 4 4 VAL CG2 C 13 21.2931400 . . . . . . . . 116 VAL CG2 . 50284 1 25 . 1 . 1 8 8 LEU HD11 H 1 0.8271370 . . . . . . . . 120 LEU HD1 . 50284 1 26 . 1 . 1 8 8 LEU HD12 H 1 0.8271370 . . . . . . . . 120 LEU HD1 . 50284 1 27 . 1 . 1 8 8 LEU HD13 H 1 0.8271370 . . . . . . . . 120 LEU HD1 . 50284 1 28 . 1 . 1 8 8 LEU HD21 H 1 1.1849010 . . . . . . . . 120 LEU HD2 . 50284 1 29 . 1 . 1 8 8 LEU HD22 H 1 1.1849010 . . . . . . . . 120 LEU HD2 . 50284 1 30 . 1 . 1 8 8 LEU HD23 H 1 1.1849010 . . . . . . . . 120 LEU HD2 . 50284 1 31 . 1 . 1 8 8 LEU CD1 C 13 26.4345500 . . . . . . . . 120 LEU CD1 . 50284 1 32 . 1 . 1 8 8 LEU CD2 C 13 24.0657900 . . . . . . . . 120 LEU CD2 . 50284 1 33 . 1 . 1 10 10 LEU HD11 H 1 0.5047494 . . . . . . . . 122 LEU HD1 . 50284 1 34 . 1 . 1 10 10 LEU HD12 H 1 0.5047494 . . . . . . . . 122 LEU HD1 . 50284 1 35 . 1 . 1 10 10 LEU HD13 H 1 0.5047494 . . . . . . . . 122 LEU HD1 . 50284 1 36 . 1 . 1 10 10 LEU HD21 H 1 0.6997718 . . . . . . . . 122 LEU HD2 . 50284 1 37 . 1 . 1 10 10 LEU HD22 H 1 0.6997718 . . . . . . . . 122 LEU HD2 . 50284 1 38 . 1 . 1 10 10 LEU HD23 H 1 0.6997718 . . . . . . . . 122 LEU HD2 . 50284 1 39 . 1 . 1 10 10 LEU CD1 C 13 23.1720200 . . . . . . . . 122 LEU CD1 . 50284 1 40 . 1 . 1 10 10 LEU CD2 C 13 26.1198200 . . . . . . . . 122 LEU CD2 . 50284 1 41 . 1 . 1 14 14 VAL HG11 H 1 0.9778151 . . . . . . . . 126 VAL HG1 . 50284 1 42 . 1 . 1 14 14 VAL HG12 H 1 0.9778151 . . . . . . . . 126 VAL HG1 . 50284 1 43 . 1 . 1 14 14 VAL HG13 H 1 0.9778151 . . . . . . . . 126 VAL HG1 . 50284 1 44 . 1 . 1 14 14 VAL HG21 H 1 0.9921709 . . . . . . . . 126 VAL HG2 . 50284 1 45 . 1 . 1 14 14 VAL HG22 H 1 0.9921709 . . . . . . . . 126 VAL HG2 . 50284 1 46 . 1 . 1 14 14 VAL HG23 H 1 0.9921709 . . . . . . . . 126 VAL HG2 . 50284 1 47 . 1 . 1 14 14 VAL CG1 C 13 22.1239800 . . . . . . . . 126 VAL CG1 . 50284 1 48 . 1 . 1 14 14 VAL CG2 C 13 23.5108300 . . . . . . . . 126 VAL CG2 . 50284 1 49 . 1 . 1 15 15 VAL HG11 H 1 0.7894360 . . . . . . . . 127 VAL HG1 . 50284 1 50 . 1 . 1 15 15 VAL HG12 H 1 0.7894360 . . . . . . . . 127 VAL HG1 . 50284 1 51 . 1 . 1 15 15 VAL HG13 H 1 0.7894360 . . . . . . . . 127 VAL HG1 . 50284 1 52 . 1 . 1 15 15 VAL HG21 H 1 0.8747921 . . . . . . . . 127 VAL HG2 . 50284 1 53 . 1 . 1 15 15 VAL HG22 H 1 0.8747921 . . . . . . . . 127 VAL HG2 . 50284 1 54 . 1 . 1 15 15 VAL HG23 H 1 0.8747921 . . . . . . . . 127 VAL HG2 . 50284 1 55 . 1 . 1 15 15 VAL CG1 C 13 19.4763800 . . . . . . . . 127 VAL CG1 . 50284 1 56 . 1 . 1 15 15 VAL CG2 C 13 21.0742800 . . . . . . . . 127 VAL CG2 . 50284 1 57 . 1 . 1 18 18 MET HE1 H 1 1.7363390 . . . . . . . . 130 MET HE . 50284 1 58 . 1 . 1 18 18 MET HE2 H 1 1.7363390 . . . . . . . . 130 MET HE . 50284 1 59 . 1 . 1 18 18 MET HE3 H 1 1.7363390 . . . . . . . . 130 MET HE . 50284 1 60 . 1 . 1 18 18 MET CE C 13 17.3386700 . . . . . . . . 130 MET CE . 50284 1 61 . 1 . 1 19 19 LEU HD11 H 1 0.7835548 . . . . . . . . 131 LEU HD1 . 50284 1 62 . 1 . 1 19 19 LEU HD12 H 1 0.7835548 . . . . . . . . 131 LEU HD1 . 50284 1 63 . 1 . 1 19 19 LEU HD13 H 1 0.7835548 . . . . . . . . 131 LEU HD1 . 50284 1 64 . 1 . 1 19 19 LEU HD21 H 1 0.8127212 . . . . . . . . 131 LEU HD2 . 50284 1 65 . 1 . 1 19 19 LEU HD22 H 1 0.8127212 . . . . . . . . 131 LEU HD2 . 50284 1 66 . 1 . 1 19 19 LEU HD23 H 1 0.8127212 . . . . . . . . 131 LEU HD2 . 50284 1 67 . 1 . 1 19 19 LEU CD1 C 13 25.9145400 . . . . . . . . 131 LEU CD1 . 50284 1 68 . 1 . 1 19 19 LEU CD2 C 13 23.7334500 . . . . . . . . 131 LEU CD2 . 50284 1 69 . 1 . 1 20 20 ILE HG21 H 1 0.8843624 . . . . . . . . 132 ILE HG2 . 50284 1 70 . 1 . 1 20 20 ILE HG22 H 1 0.8843624 . . . . . . . . 132 ILE HG2 . 50284 1 71 . 1 . 1 20 20 ILE HG23 H 1 0.8843624 . . . . . . . . 132 ILE HG2 . 50284 1 72 . 1 . 1 20 20 ILE HD11 H 1 1.1581990 . . . . . . . . 132 ILE HD1 . 50284 1 73 . 1 . 1 20 20 ILE HD12 H 1 1.1581990 . . . . . . . . 132 ILE HD1 . 50284 1 74 . 1 . 1 20 20 ILE HD13 H 1 1.1581990 . . . . . . . . 132 ILE HD1 . 50284 1 75 . 1 . 1 20 20 ILE CG2 C 13 17.6930000 . . . . . . . . 132 ILE CG2 . 50284 1 76 . 1 . 1 20 20 ILE CD1 C 13 15.1596100 . . . . . . . . 132 ILE CD1 . 50284 1 77 . 1 . 1 21 21 THR HG21 H 1 1.0713370 . . . . . . . . 133 THR HG2 . 50284 1 78 . 1 . 1 21 21 THR HG22 H 1 1.0713370 . . . . . . . . 133 THR HG2 . 50284 1 79 . 1 . 1 21 21 THR HG23 H 1 1.0713370 . . . . . . . . 133 THR HG2 . 50284 1 80 . 1 . 1 21 21 THR CG2 C 13 21.0628700 . . . . . . . . 133 THR CG2 . 50284 1 81 . 1 . 1 22 22 ILE HG21 H 1 0.9751888 . . . . . . . . 134 ILE HG2 . 50284 1 82 . 1 . 1 22 22 ILE HG22 H 1 0.9751888 . . . . . . . . 134 ILE HG2 . 50284 1 83 . 1 . 1 22 22 ILE HG23 H 1 0.9751888 . . . . . . . . 134 ILE HG2 . 50284 1 84 . 1 . 1 22 22 ILE HD11 H 1 0.7770864 . . . . . . . . 134 ILE HD1 . 50284 1 85 . 1 . 1 22 22 ILE HD12 H 1 0.7770864 . . . . . . . . 134 ILE HD1 . 50284 1 86 . 1 . 1 22 22 ILE HD13 H 1 0.7770864 . . . . . . . . 134 ILE HD1 . 50284 1 87 . 1 . 1 22 22 ILE CG2 C 13 18.4847300 . . . . . . . . 134 ILE CG2 . 50284 1 88 . 1 . 1 22 22 ILE CD1 C 13 14.3960800 . . . . . . . . 134 ILE CD1 . 50284 1 89 . 1 . 1 23 23 LEU HD11 H 1 0.7898547 . . . . . . . . 135 LEU HD1 . 50284 1 90 . 1 . 1 23 23 LEU HD12 H 1 0.7898547 . . . . . . . . 135 LEU HD1 . 50284 1 91 . 1 . 1 23 23 LEU HD13 H 1 0.7898547 . . . . . . . . 135 LEU HD1 . 50284 1 92 . 1 . 1 23 23 LEU HD21 H 1 0.8637573 . . . . . . . . 135 LEU HD2 . 50284 1 93 . 1 . 1 23 23 LEU HD22 H 1 0.8637573 . . . . . . . . 135 LEU HD2 . 50284 1 94 . 1 . 1 23 23 LEU HD23 H 1 0.8637573 . . . . . . . . 135 LEU HD2 . 50284 1 95 . 1 . 1 23 23 LEU CD1 C 13 24.7678400 . . . . . . . . 135 LEU CD1 . 50284 1 96 . 1 . 1 23 23 LEU CD2 C 13 23.7855500 . . . . . . . . 135 LEU CD2 . 50284 1 97 . 1 . 1 25 25 THR HG21 H 1 0.9569541 . . . . . . . . 137 THR HG2 . 50284 1 98 . 1 . 1 25 25 THR HG22 H 1 0.9569541 . . . . . . . . 137 THR HG2 . 50284 1 99 . 1 . 1 25 25 THR HG23 H 1 0.9569541 . . . . . . . . 137 THR HG2 . 50284 1 100 . 1 . 1 25 25 THR CG2 C 13 21.3084100 . . . . . . . . 137 THR CG2 . 50284 1 101 . 1 . 1 26 26 VAL HG11 H 1 1.0570170 . . . . . . . . 138 VAL HG1 . 50284 1 102 . 1 . 1 26 26 VAL HG12 H 1 1.0570170 . . . . . . . . 138 VAL HG1 . 50284 1 103 . 1 . 1 26 26 VAL HG13 H 1 1.0570170 . . . . . . . . 138 VAL HG1 . 50284 1 104 . 1 . 1 26 26 VAL HG21 H 1 1.2570190 . . . . . . . . 138 VAL HG2 . 50284 1 105 . 1 . 1 26 26 VAL HG22 H 1 1.2570190 . . . . . . . . 138 VAL HG2 . 50284 1 106 . 1 . 1 26 26 VAL HG23 H 1 1.2570190 . . . . . . . . 138 VAL HG2 . 50284 1 107 . 1 . 1 26 26 VAL CG1 C 13 23.9143200 . . . . . . . . 138 VAL CG1 . 50284 1 108 . 1 . 1 26 26 VAL CG2 C 13 24.2372200 . . . . . . . . 138 VAL CG2 . 50284 1 109 . 1 . 1 30 30 ALA HB1 H 1 0.5530279 . . . . . . . . 142 ALA HB . 50284 1 110 . 1 . 1 30 30 ALA HB2 H 1 0.5530279 . . . . . . . . 142 ALA HB . 50284 1 111 . 1 . 1 30 30 ALA HB3 H 1 0.5530279 . . . . . . . . 142 ALA HB . 50284 1 112 . 1 . 1 30 30 ALA CB C 13 19.8973100 . . . . . . . . 142 ALA CB . 50284 1 113 . 1 . 1 33 33 ILE HG21 H 1 0.5478448 . . . . . . . . 145 ILE HG2 . 50284 1 114 . 1 . 1 33 33 ILE HG22 H 1 0.5478448 . . . . . . . . 145 ILE HG2 . 50284 1 115 . 1 . 1 33 33 ILE HG23 H 1 0.5478448 . . . . . . . . 145 ILE HG2 . 50284 1 116 . 1 . 1 33 33 ILE HD11 H 1 -0.0442266 . . . . . . . . 145 ILE HD1 . 50284 1 117 . 1 . 1 33 33 ILE HD12 H 1 -0.0442266 . . . . . . . . 145 ILE HD1 . 50284 1 118 . 1 . 1 33 33 ILE HD13 H 1 -0.0442266 . . . . . . . . 145 ILE HD1 . 50284 1 119 . 1 . 1 33 33 ILE CG2 C 13 14.9835000 . . . . . . . . 145 ILE CG2 . 50284 1 120 . 1 . 1 33 33 ILE CD1 C 13 13.2344300 . . . . . . . . 145 ILE CD1 . 50284 1 121 . 1 . 1 34 34 ALA HB1 H 1 0.5307367 . . . . . . . . 146 ALA HB . 50284 1 122 . 1 . 1 34 34 ALA HB2 H 1 0.5307367 . . . . . . . . 146 ALA HB . 50284 1 123 . 1 . 1 34 34 ALA HB3 H 1 0.5307367 . . . . . . . . 146 ALA HB . 50284 1 124 . 1 . 1 34 34 ALA CB C 13 21.4164200 . . . . . . . . 146 ALA CB . 50284 1 125 . 1 . 1 35 35 LEU HD11 H 1 0.6067462 . . . . . . . . 147 LEU HD1 . 50284 1 126 . 1 . 1 35 35 LEU HD12 H 1 0.6067462 . . . . . . . . 147 LEU HD1 . 50284 1 127 . 1 . 1 35 35 LEU HD13 H 1 0.6067462 . . . . . . . . 147 LEU HD1 . 50284 1 128 . 1 . 1 35 35 LEU HD21 H 1 0.6862704 . . . . . . . . 147 LEU HD2 . 50284 1 129 . 1 . 1 35 35 LEU HD22 H 1 0.6862704 . . . . . . . . 147 LEU HD2 . 50284 1 130 . 1 . 1 35 35 LEU HD23 H 1 0.6862704 . . . . . . . . 147 LEU HD2 . 50284 1 131 . 1 . 1 35 35 LEU CD1 C 13 23.6521200 . . . . . . . . 147 LEU CD1 . 50284 1 132 . 1 . 1 35 35 LEU CD2 C 13 25.0051600 . . . . . . . . 147 LEU CD2 . 50284 1 133 . 1 . 1 43 43 VAL HG11 H 1 0.7190432 . . . . . . . . 155 VAL HG1 . 50284 1 134 . 1 . 1 43 43 VAL HG12 H 1 0.7190432 . . . . . . . . 155 VAL HG1 . 50284 1 135 . 1 . 1 43 43 VAL HG13 H 1 0.7190432 . . . . . . . . 155 VAL HG1 . 50284 1 136 . 1 . 1 43 43 VAL HG21 H 1 1.1012570 . . . . . . . . 155 VAL HG2 . 50284 1 137 . 1 . 1 43 43 VAL HG22 H 1 1.1012570 . . . . . . . . 155 VAL HG2 . 50284 1 138 . 1 . 1 43 43 VAL HG23 H 1 1.1012570 . . . . . . . . 155 VAL HG2 . 50284 1 139 . 1 . 1 43 43 VAL CG1 C 13 19.8323900 . . . . . . . . 155 VAL CG1 . 50284 1 140 . 1 . 1 43 43 VAL CG2 C 13 22.3982400 . . . . . . . . 155 VAL CG2 . 50284 1 141 . 1 . 1 44 44 ALA HB1 H 1 1.5149540 . . . . . . . . 156 ALA HB . 50284 1 142 . 1 . 1 44 44 ALA HB2 H 1 1.5149540 . . . . . . . . 156 ALA HB . 50284 1 143 . 1 . 1 44 44 ALA HB3 H 1 1.5149540 . . . . . . . . 156 ALA HB . 50284 1 144 . 1 . 1 44 44 ALA CB C 13 19.1251900 . . . . . . . . 156 ALA CB . 50284 1 145 . 1 . 1 58 58 VAL HG11 H 1 0.7067266 . . . . . . . . 170 VAL HG1 . 50284 1 146 . 1 . 1 58 58 VAL HG12 H 1 0.7067266 . . . . . . . . 170 VAL HG1 . 50284 1 147 . 1 . 1 58 58 VAL HG13 H 1 0.7067266 . . . . . . . . 170 VAL HG1 . 50284 1 148 . 1 . 1 58 58 VAL HG21 H 1 0.8463544 . . . . . . . . 170 VAL HG2 . 50284 1 149 . 1 . 1 58 58 VAL HG22 H 1 0.8463544 . . . . . . . . 170 VAL HG2 . 50284 1 150 . 1 . 1 58 58 VAL HG23 H 1 0.8463544 . . . . . . . . 170 VAL HG2 . 50284 1 151 . 1 . 1 58 58 VAL CG1 C 13 18.9619100 . . . . . . . . 170 VAL CG1 . 50284 1 152 . 1 . 1 58 58 VAL CG2 C 13 20.8036500 . . . . . . . . 170 VAL CG2 . 50284 1 153 . 1 . 1 59 59 ILE HG21 H 1 0.0831962 . . . . . . . . 171 ILE HG2 . 50284 1 154 . 1 . 1 59 59 ILE HG22 H 1 0.0831962 . . . . . . . . 171 ILE HG2 . 50284 1 155 . 1 . 1 59 59 ILE HG23 H 1 0.0831962 . . . . . . . . 171 ILE HG2 . 50284 1 156 . 1 . 1 59 59 ILE HD11 H 1 0.7750227 . . . . . . . . 171 ILE HD1 . 50284 1 157 . 1 . 1 59 59 ILE HD12 H 1 0.7750227 . . . . . . . . 171 ILE HD1 . 50284 1 158 . 1 . 1 59 59 ILE HD13 H 1 0.7750227 . . . . . . . . 171 ILE HD1 . 50284 1 159 . 1 . 1 59 59 ILE CG2 C 13 17.3881000 . . . . . . . . 171 ILE CG2 . 50284 1 160 . 1 . 1 59 59 ILE CD1 C 13 14.7060100 . . . . . . . . 171 ILE CD1 . 50284 1 161 . 1 . 1 60 60 VAL HG11 H 1 0.7063641 . . . . . . . . 172 VAL HG1 . 50284 1 162 . 1 . 1 60 60 VAL HG12 H 1 0.7063641 . . . . . . . . 172 VAL HG1 . 50284 1 163 . 1 . 1 60 60 VAL HG13 H 1 0.7063641 . . . . . . . . 172 VAL HG1 . 50284 1 164 . 1 . 1 60 60 VAL HG21 H 1 0.7995847 . . . . . . . . 172 VAL HG2 . 50284 1 165 . 1 . 1 60 60 VAL HG22 H 1 0.7995847 . . . . . . . . 172 VAL HG2 . 50284 1 166 . 1 . 1 60 60 VAL HG23 H 1 0.7995847 . . . . . . . . 172 VAL HG2 . 50284 1 167 . 1 . 1 60 60 VAL CG1 C 13 20.9307300 . . . . . . . . 172 VAL CG1 . 50284 1 168 . 1 . 1 60 60 VAL CG2 C 13 21.4620800 . . . . . . . . 172 VAL CG2 . 50284 1 169 . 1 . 1 63 63 THR HG21 H 1 1.4399990 . . . . . . . . 175 THR HG2 . 50284 1 170 . 1 . 1 63 63 THR HG22 H 1 1.4399990 . . . . . . . . 175 THR HG2 . 50284 1 171 . 1 . 1 63 63 THR HG23 H 1 1.4399990 . . . . . . . . 175 THR HG2 . 50284 1 172 . 1 . 1 63 63 THR CG2 C 13 21.1498500 . . . . . . . . 175 THR CG2 . 50284 1 173 . 1 . 1 65 65 LEU HD11 H 1 0.6851638 . . . . . . . . 177 LEU HD1 . 50284 1 174 . 1 . 1 65 65 LEU HD12 H 1 0.6851638 . . . . . . . . 177 LEU HD1 . 50284 1 175 . 1 . 1 65 65 LEU HD13 H 1 0.6851638 . . . . . . . . 177 LEU HD1 . 50284 1 176 . 1 . 1 65 65 LEU HD21 H 1 0.7787449 . . . . . . . . 177 LEU HD2 . 50284 1 177 . 1 . 1 65 65 LEU HD22 H 1 0.7787449 . . . . . . . . 177 LEU HD2 . 50284 1 178 . 1 . 1 65 65 LEU HD23 H 1 0.7787449 . . . . . . . . 177 LEU HD2 . 50284 1 179 . 1 . 1 65 65 LEU CD1 C 13 22.8343500 . . . . . . . . 177 LEU CD1 . 50284 1 180 . 1 . 1 65 65 LEU CD2 C 13 24.6744000 . . . . . . . . 177 LEU CD2 . 50284 1 181 . 1 . 1 77 77 VAL HG11 H 1 0.7884376 . . . . . . . . 189 VAL HG1 . 50284 1 182 . 1 . 1 77 77 VAL HG12 H 1 0.7884376 . . . . . . . . 189 VAL HG1 . 50284 1 183 . 1 . 1 77 77 VAL HG13 H 1 0.7884376 . . . . . . . . 189 VAL HG1 . 50284 1 184 . 1 . 1 77 77 VAL HG21 H 1 0.9884352 . . . . . . . . 189 VAL HG2 . 50284 1 185 . 1 . 1 77 77 VAL HG22 H 1 0.9884352 . . . . . . . . 189 VAL HG2 . 50284 1 186 . 1 . 1 77 77 VAL HG23 H 1 0.9884352 . . . . . . . . 189 VAL HG2 . 50284 1 187 . 1 . 1 77 77 VAL CG1 C 13 20.8408400 . . . . . . . . 189 VAL CG1 . 50284 1 188 . 1 . 1 77 77 VAL CG2 C 13 21.1107000 . . . . . . . . 189 VAL CG2 . 50284 1 189 . 1 . 1 88 88 ILE HG21 H 1 0.6086874 . . . . . . . . 200 ILE HG2 . 50284 1 190 . 1 . 1 88 88 ILE HG22 H 1 0.6086874 . . . . . . . . 200 ILE HG2 . 50284 1 191 . 1 . 1 88 88 ILE HG23 H 1 0.6086874 . . . . . . . . 200 ILE HG2 . 50284 1 192 . 1 . 1 88 88 ILE HD11 H 1 0.6896991 . . . . . . . . 200 ILE HD1 . 50284 1 193 . 1 . 1 88 88 ILE HD12 H 1 0.6896991 . . . . . . . . 200 ILE HD1 . 50284 1 194 . 1 . 1 88 88 ILE HD13 H 1 0.6896991 . . . . . . . . 200 ILE HD1 . 50284 1 195 . 1 . 1 88 88 ILE CG2 C 13 17.0356300 . . . . . . . . 200 ILE CG2 . 50284 1 196 . 1 . 1 88 88 ILE CD1 C 13 13.8515800 . . . . . . . . 200 ILE CD1 . 50284 1 197 . 1 . 1 90 90 VAL HG11 H 1 0.7997027 . . . . . . . . 202 VAL HG1 . 50284 1 198 . 1 . 1 90 90 VAL HG12 H 1 0.7997027 . . . . . . . . 202 VAL HG1 . 50284 1 199 . 1 . 1 90 90 VAL HG13 H 1 0.7997027 . . . . . . . . 202 VAL HG1 . 50284 1 200 . 1 . 1 90 90 VAL HG21 H 1 1.0345520 . . . . . . . . 202 VAL HG2 . 50284 1 201 . 1 . 1 90 90 VAL HG22 H 1 1.0345520 . . . . . . . . 202 VAL HG2 . 50284 1 202 . 1 . 1 90 90 VAL HG23 H 1 1.0345520 . . . . . . . . 202 VAL HG2 . 50284 1 203 . 1 . 1 90 90 VAL CG1 C 13 19.6010400 . . . . . . . . 202 VAL CG1 . 50284 1 204 . 1 . 1 90 90 VAL CG2 C 13 21.6255600 . . . . . . . . 202 VAL CG2 . 50284 1 205 . 1 . 1 91 91 LEU HD11 H 1 0.8415453 . . . . . . . . 203 LEU HD1 . 50284 1 206 . 1 . 1 91 91 LEU HD12 H 1 0.8415453 . . . . . . . . 203 LEU HD1 . 50284 1 207 . 1 . 1 91 91 LEU HD13 H 1 0.8415453 . . . . . . . . 203 LEU HD1 . 50284 1 208 . 1 . 1 91 91 LEU HD21 H 1 0.8579964 . . . . . . . . 203 LEU HD2 . 50284 1 209 . 1 . 1 91 91 LEU HD22 H 1 0.8579964 . . . . . . . . 203 LEU HD2 . 50284 1 210 . 1 . 1 91 91 LEU HD23 H 1 0.8579964 . . . . . . . . 203 LEU HD2 . 50284 1 211 . 1 . 1 91 91 LEU CD1 C 13 22.9000000 . . . . . . . . 203 LEU CD1 . 50284 1 212 . 1 . 1 91 91 LEU CD2 C 13 25.9951100 . . . . . . . . 203 LEU CD2 . 50284 1 213 . 1 . 1 92 92 VAL HG11 H 1 0.3815074 . . . . . . . . 204 VAL HG1 . 50284 1 214 . 1 . 1 92 92 VAL HG12 H 1 0.3815074 . . . . . . . . 204 VAL HG1 . 50284 1 215 . 1 . 1 92 92 VAL HG13 H 1 0.3815074 . . . . . . . . 204 VAL HG1 . 50284 1 216 . 1 . 1 92 92 VAL HG21 H 1 1.0124100 . . . . . . . . 204 VAL HG2 . 50284 1 217 . 1 . 1 92 92 VAL HG22 H 1 1.0124100 . . . . . . . . 204 VAL HG2 . 50284 1 218 . 1 . 1 92 92 VAL HG23 H 1 1.0124100 . . . . . . . . 204 VAL HG2 . 50284 1 219 . 1 . 1 92 92 VAL CG1 C 13 20.9626800 . . . . . . . . 204 VAL CG1 . 50284 1 220 . 1 . 1 92 92 VAL CG2 C 13 20.0659000 . . . . . . . . 204 VAL CG2 . 50284 1 221 . 1 . 1 99 99 VAL HG11 H 1 0.4263661 . . . . . . . . 211 VAL HG1 . 50284 1 222 . 1 . 1 99 99 VAL HG12 H 1 0.4263661 . . . . . . . . 211 VAL HG1 . 50284 1 223 . 1 . 1 99 99 VAL HG13 H 1 0.4263661 . . . . . . . . 211 VAL HG1 . 50284 1 224 . 1 . 1 99 99 VAL HG21 H 1 0.7759149 . . . . . . . . 211 VAL HG2 . 50284 1 225 . 1 . 1 99 99 VAL HG22 H 1 0.7759149 . . . . . . . . 211 VAL HG2 . 50284 1 226 . 1 . 1 99 99 VAL HG23 H 1 0.7759149 . . . . . . . . 211 VAL HG2 . 50284 1 227 . 1 . 1 99 99 VAL CG1 C 13 20.7414300 . . . . . . . . 211 VAL CG1 . 50284 1 228 . 1 . 1 99 99 VAL CG2 C 13 21.0371500 . . . . . . . . 211 VAL CG2 . 50284 1 229 . 1 . 1 100 100 ALA HB1 H 1 1.2626850 . . . . . . . . 212 ALA HB . 50284 1 230 . 1 . 1 100 100 ALA HB2 H 1 1.2626850 . . . . . . . . 212 ALA HB . 50284 1 231 . 1 . 1 100 100 ALA HB3 H 1 1.2626850 . . . . . . . . 212 ALA HB . 50284 1 232 . 1 . 1 100 100 ALA CB C 13 21.8307400 . . . . . . . . 212 ALA CB . 50284 1 233 . 1 . 1 101 101 VAL HG11 H 1 0.2851770 . . . . . . . . 213 VAL HG1 . 50284 1 234 . 1 . 1 101 101 VAL HG12 H 1 0.2851770 . . . . . . . . 213 VAL HG1 . 50284 1 235 . 1 . 1 101 101 VAL HG13 H 1 0.2851770 . . . . . . . . 213 VAL HG1 . 50284 1 236 . 1 . 1 101 101 VAL HG21 H 1 0.6972991 . . . . . . . . 213 VAL HG2 . 50284 1 237 . 1 . 1 101 101 VAL HG22 H 1 0.6972991 . . . . . . . . 213 VAL HG2 . 50284 1 238 . 1 . 1 101 101 VAL HG23 H 1 0.6972991 . . . . . . . . 213 VAL HG2 . 50284 1 239 . 1 . 1 101 101 VAL CG1 C 13 20.1808500 . . . . . . . . 213 VAL CG1 . 50284 1 240 . 1 . 1 101 101 VAL CG2 C 13 22.9503300 . . . . . . . . 213 VAL CG2 . 50284 1 241 . 1 . 1 104 104 ALA HB1 H 1 1.3376640 . . . . . . . . 216 ALA HB . 50284 1 242 . 1 . 1 104 104 ALA HB2 H 1 1.3376640 . . . . . . . . 216 ALA HB . 50284 1 243 . 1 . 1 104 104 ALA HB3 H 1 1.3376640 . . . . . . . . 216 ALA HB . 50284 1 244 . 1 . 1 104 104 ALA CB C 13 20.6572300 . . . . . . . . 216 ALA CB . 50284 1 245 . 1 . 1 106 106 LEU HD11 H 1 0.8101370 . . . . . . . . 218 LEU HD1 . 50284 1 246 . 1 . 1 106 106 LEU HD12 H 1 0.8101370 . . . . . . . . 218 LEU HD1 . 50284 1 247 . 1 . 1 106 106 LEU HD13 H 1 0.8101370 . . . . . . . . 218 LEU HD1 . 50284 1 248 . 1 . 1 106 106 LEU HD21 H 1 0.8269951 . . . . . . . . 218 LEU HD2 . 50284 1 249 . 1 . 1 106 106 LEU HD22 H 1 0.8269951 . . . . . . . . 218 LEU HD2 . 50284 1 250 . 1 . 1 106 106 LEU HD23 H 1 0.8269951 . . . . . . . . 218 LEU HD2 . 50284 1 251 . 1 . 1 106 106 LEU CD1 C 13 21.8957900 . . . . . . . . 218 LEU CD1 . 50284 1 252 . 1 . 1 106 106 LEU CD2 C 13 26.1373500 . . . . . . . . 218 LEU CD2 . 50284 1 253 . 1 . 1 107 107 LEU HD11 H 1 0.9320894 . . . . . . . . 219 LEU HD1 . 50284 1 254 . 1 . 1 107 107 LEU HD12 H 1 0.9320894 . . . . . . . . 219 LEU HD1 . 50284 1 255 . 1 . 1 107 107 LEU HD13 H 1 0.9320894 . . . . . . . . 219 LEU HD1 . 50284 1 256 . 1 . 1 107 107 LEU HD21 H 1 0.9581139 . . . . . . . . 219 LEU HD2 . 50284 1 257 . 1 . 1 107 107 LEU HD22 H 1 0.9581139 . . . . . . . . 219 LEU HD2 . 50284 1 258 . 1 . 1 107 107 LEU HD23 H 1 0.9581139 . . . . . . . . 219 LEU HD2 . 50284 1 259 . 1 . 1 107 107 LEU CD1 C 13 24.3591700 . . . . . . . . 219 LEU CD1 . 50284 1 260 . 1 . 1 107 107 LEU CD2 C 13 8.1765930 . . . . . . . . 219 LEU CD2 . 50284 1 261 . 1 . 1 113 113 VAL HG11 H 1 0.8073706 . . . . . . . . 225 VAL HG1 . 50284 1 262 . 1 . 1 113 113 VAL HG12 H 1 0.8073706 . . . . . . . . 225 VAL HG1 . 50284 1 263 . 1 . 1 113 113 VAL HG13 H 1 0.8073706 . . . . . . . . 225 VAL HG1 . 50284 1 264 . 1 . 1 113 113 VAL HG21 H 1 0.9866185 . . . . . . . . 225 VAL HG2 . 50284 1 265 . 1 . 1 113 113 VAL HG22 H 1 0.9866185 . . . . . . . . 225 VAL HG2 . 50284 1 266 . 1 . 1 113 113 VAL HG23 H 1 0.9866185 . . . . . . . . 225 VAL HG2 . 50284 1 267 . 1 . 1 113 113 VAL CG1 C 13 20.4526600 . . . . . . . . 225 VAL CG1 . 50284 1 268 . 1 . 1 113 113 VAL CG2 C 13 21.4713300 . . . . . . . . 225 VAL CG2 . 50284 1 269 . 1 . 1 116 116 LEU HD11 H 1 -0.2943037 . . . . . . . . 228 LEU HD1 . 50284 1 270 . 1 . 1 116 116 LEU HD12 H 1 -0.2943037 . . . . . . . . 228 LEU HD1 . 50284 1 271 . 1 . 1 116 116 LEU HD13 H 1 -0.2943037 . . . . . . . . 228 LEU HD1 . 50284 1 272 . 1 . 1 116 116 LEU HD21 H 1 0.2835348 . . . . . . . . 228 LEU HD2 . 50284 1 273 . 1 . 1 116 116 LEU HD22 H 1 0.2835348 . . . . . . . . 228 LEU HD2 . 50284 1 274 . 1 . 1 116 116 LEU HD23 H 1 0.2835348 . . . . . . . . 228 LEU HD2 . 50284 1 275 . 1 . 1 116 116 LEU CD1 C 13 19.5877300 . . . . . . . . 228 LEU CD1 . 50284 1 276 . 1 . 1 116 116 LEU CD2 C 13 23.8701800 . . . . . . . . 228 LEU CD2 . 50284 1 277 . 1 . 1 119 119 ILE HG21 H 1 1.0765180 . . . . . . . . 231 ILE HG2 . 50284 1 278 . 1 . 1 119 119 ILE HG22 H 1 1.0765180 . . . . . . . . 231 ILE HG2 . 50284 1 279 . 1 . 1 119 119 ILE HG23 H 1 1.0765180 . . . . . . . . 231 ILE HG2 . 50284 1 280 . 1 . 1 119 119 ILE HD11 H 1 0.8759871 . . . . . . . . 231 ILE HD1 . 50284 1 281 . 1 . 1 119 119 ILE HD12 H 1 0.8759871 . . . . . . . . 231 ILE HD1 . 50284 1 282 . 1 . 1 119 119 ILE HD13 H 1 0.8759871 . . . . . . . . 231 ILE HD1 . 50284 1 283 . 1 . 1 119 119 ILE CG2 C 13 18.8387400 . . . . . . . . 231 ILE CG2 . 50284 1 284 . 1 . 1 119 119 ILE CD1 C 13 14.6668700 . . . . . . . . 231 ILE CD1 . 50284 1 285 . 1 . 1 122 122 LEU HD11 H 1 -0.3843426 . . . . . . . . 234 LEU HD1 . 50284 1 286 . 1 . 1 122 122 LEU HD12 H 1 -0.3843426 . . . . . . . . 234 LEU HD1 . 50284 1 287 . 1 . 1 122 122 LEU HD13 H 1 -0.3843426 . . . . . . . . 234 LEU HD1 . 50284 1 288 . 1 . 1 122 122 LEU HD21 H 1 0.5358739 . . . . . . . . 234 LEU HD2 . 50284 1 289 . 1 . 1 122 122 LEU HD22 H 1 0.5358739 . . . . . . . . 234 LEU HD2 . 50284 1 290 . 1 . 1 122 122 LEU HD23 H 1 0.5358739 . . . . . . . . 234 LEU HD2 . 50284 1 291 . 1 . 1 122 122 LEU CD1 C 13 21.6446200 . . . . . . . . 234 LEU CD1 . 50284 1 292 . 1 . 1 122 122 LEU CD2 C 13 26.3127700 . . . . . . . . 234 LEU CD2 . 50284 1 293 . 1 . 1 124 124 ILE HG21 H 1 0.8705270 . . . . . . . . 236 ILE HG2 . 50284 1 294 . 1 . 1 124 124 ILE HG22 H 1 0.8705270 . . . . . . . . 236 ILE HG2 . 50284 1 295 . 1 . 1 124 124 ILE HG23 H 1 0.8705270 . . . . . . . . 236 ILE HG2 . 50284 1 296 . 1 . 1 124 124 ILE HD11 H 1 0.8754726 . . . . . . . . 236 ILE HD1 . 50284 1 297 . 1 . 1 124 124 ILE HD12 H 1 0.8754726 . . . . . . . . 236 ILE HD1 . 50284 1 298 . 1 . 1 124 124 ILE HD13 H 1 0.8754726 . . . . . . . . 236 ILE HD1 . 50284 1 299 . 1 . 1 124 124 ILE CG2 C 13 18.2108800 . . . . . . . . 236 ILE CG2 . 50284 1 300 . 1 . 1 124 124 ILE CD1 C 13 15.5518100 . . . . . . . . 236 ILE CD1 . 50284 1 301 . 1 . 1 128 128 ILE HG21 H 1 0.7750466 . . . . . . . . 240 ILE HG2 . 50284 1 302 . 1 . 1 128 128 ILE HG22 H 1 0.7750466 . . . . . . . . 240 ILE HG2 . 50284 1 303 . 1 . 1 128 128 ILE HG23 H 1 0.7750466 . . . . . . . . 240 ILE HG2 . 50284 1 304 . 1 . 1 128 128 ILE HD11 H 1 0.6565255 . . . . . . . . 240 ILE HD1 . 50284 1 305 . 1 . 1 128 128 ILE HD12 H 1 0.6565255 . . . . . . . . 240 ILE HD1 . 50284 1 306 . 1 . 1 128 128 ILE HD13 H 1 0.6565255 . . . . . . . . 240 ILE HD1 . 50284 1 307 . 1 . 1 128 128 ILE CG2 C 13 19.3146700 . . . . . . . . 240 ILE CG2 . 50284 1 308 . 1 . 1 128 128 ILE CD1 C 13 13.7731800 . . . . . . . . 240 ILE CD1 . 50284 1 309 . 1 . 1 130 130 LEU HD11 H 1 0.4990223 . . . . . . . . 242 LEU HD1 . 50284 1 310 . 1 . 1 130 130 LEU HD12 H 1 0.4990223 . . . . . . . . 242 LEU HD1 . 50284 1 311 . 1 . 1 130 130 LEU HD13 H 1 0.4990223 . . . . . . . . 242 LEU HD1 . 50284 1 312 . 1 . 1 130 130 LEU HD21 H 1 0.8465013 . . . . . . . . 242 LEU HD2 . 50284 1 313 . 1 . 1 130 130 LEU HD22 H 1 0.8465013 . . . . . . . . 242 LEU HD2 . 50284 1 314 . 1 . 1 130 130 LEU HD23 H 1 0.8465013 . . . . . . . . 242 LEU HD2 . 50284 1 315 . 1 . 1 130 130 LEU CD1 C 13 27.0515100 . . . . . . . . 242 LEU CD1 . 50284 1 316 . 1 . 1 130 130 LEU CD2 C 13 26.4978000 . . . . . . . . 242 LEU CD2 . 50284 1 317 . 1 . 1 131 131 THR HG21 H 1 1.0755760 . . . . . . . . 243 THR HG2 . 50284 1 318 . 1 . 1 131 131 THR HG22 H 1 1.0755760 . . . . . . . . 243 THR HG2 . 50284 1 319 . 1 . 1 131 131 THR HG23 H 1 1.0755760 . . . . . . . . 243 THR HG2 . 50284 1 320 . 1 . 1 131 131 THR CG2 C 13 21.7483100 . . . . . . . . 243 THR CG2 . 50284 1 321 . 1 . 1 133 133 ALA HB1 H 1 1.1877540 . . . . . . . . 245 ALA HB . 50284 1 322 . 1 . 1 133 133 ALA HB2 H 1 1.1877540 . . . . . . . . 245 ALA HB . 50284 1 323 . 1 . 1 133 133 ALA HB3 H 1 1.1877540 . . . . . . . . 245 ALA HB . 50284 1 324 . 1 . 1 133 133 ALA CB C 13 21.3166100 . . . . . . . . 245 ALA CB . 50284 1 325 . 1 . 1 136 136 THR HG21 H 1 1.1283130 . . . . . . . . 248 THR HG2 . 50284 1 326 . 1 . 1 136 136 THR HG22 H 1 1.1283130 . . . . . . . . 248 THR HG2 . 50284 1 327 . 1 . 1 136 136 THR HG23 H 1 1.1283130 . . . . . . . . 248 THR HG2 . 50284 1 328 . 1 . 1 136 136 THR CG2 C 13 19.1234500 . . . . . . . . 248 THR CG2 . 50284 1 329 . 1 . 1 137 137 MET HE1 H 1 2.0475670 . . . . . . . . 249 MET HE . 50284 1 330 . 1 . 1 137 137 MET HE2 H 1 2.0475670 . . . . . . . . 249 MET HE . 50284 1 331 . 1 . 1 137 137 MET HE3 H 1 2.0475670 . . . . . . . . 249 MET HE . 50284 1 332 . 1 . 1 137 137 MET CE C 13 15.9344600 . . . . . . . . 249 MET CE . 50284 1 333 . 1 . 1 138 138 ILE HG21 H 1 0.8717911 . . . . . . . . 250 ILE HG2 . 50284 1 334 . 1 . 1 138 138 ILE HG22 H 1 0.8717911 . . . . . . . . 250 ILE HG2 . 50284 1 335 . 1 . 1 138 138 ILE HG23 H 1 0.8717911 . . . . . . . . 250 ILE HG2 . 50284 1 336 . 1 . 1 138 138 ILE HD11 H 1 0.8378210 . . . . . . . . 250 ILE HD1 . 50284 1 337 . 1 . 1 138 138 ILE HD12 H 1 0.8378210 . . . . . . . . 250 ILE HD1 . 50284 1 338 . 1 . 1 138 138 ILE HD13 H 1 0.8378210 . . . . . . . . 250 ILE HD1 . 50284 1 339 . 1 . 1 138 138 ILE CG2 C 13 19.1347800 . . . . . . . . 250 ILE CG2 . 50284 1 340 . 1 . 1 138 138 ILE CD1 C 13 14.5071200 . . . . . . . . 250 ILE CD1 . 50284 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 50284 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'P-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' . . . 50284 2 13 '3D HNCACB' . . . 50284 2 14 '3D CBCA(CO)NH' . . . 50284 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 . . 50284 2 3 $software_3 . . 50284 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 8.307562 . . . . . . . . 114 LEU H . 50284 2 2 . 1 . 1 2 2 LEU N N 15 123.7746 . . . . . . . . 114 LEU N . 50284 2 3 . 1 . 1 3 3 ILE H H 1 8.228554 . . . . . . . . 115 ILE H . 50284 2 4 . 1 . 1 3 3 ILE N N 15 123.0520 . . . . . . . . 115 ILE N . 50284 2 5 . 1 . 1 4 4 VAL H H 1 7.876591 . . . . . . . . 116 VAL H . 50284 2 6 . 1 . 1 4 4 VAL N N 15 122.6716 . . . . . . . . 116 VAL N . 50284 2 7 . 1 . 1 6 6 TYR H H 1 9.120239 . . . . . . . . 118 TYR H . 50284 2 8 . 1 . 1 6 6 TYR N N 15 125.8980 . . . . . . . . 118 TYR N . 50284 2 9 . 1 . 1 7 7 ASN H H 1 7.699856 . . . . . . . . 119 ASN H . 50284 2 10 . 1 . 1 7 7 ASN N N 15 126.0312 . . . . . . . . 119 ASN N . 50284 2 11 . 1 . 1 8 8 LEU H H 1 9.344487 . . . . . . . . 120 LEU H . 50284 2 12 . 1 . 1 8 8 LEU N N 15 128.0489 . . . . . . . . 120 LEU N . 50284 2 13 . 1 . 1 10 10 LEU H H 1 7.782965 . . . . . . . . 122 LEU H . 50284 2 14 . 1 . 1 10 10 LEU N N 15 122.3782 . . . . . . . . 122 LEU N . 50284 2 15 . 1 . 1 12 12 GLY H H 1 8.782723 . . . . . . . . 124 GLY H . 50284 2 16 . 1 . 1 12 12 GLY N N 15 112.7792 . . . . . . . . 124 GLY N . 50284 2 17 . 1 . 1 13 13 GLY H H 1 8.203973 . . . . . . . . 125 GLY H . 50284 2 18 . 1 . 1 13 13 GLY N N 15 108.8851 . . . . . . . . 125 GLY N . 50284 2 19 . 1 . 1 14 14 VAL H H 1 7.100236 . . . . . . . . 126 VAL H . 50284 2 20 . 1 . 1 14 14 VAL N N 15 113.5414 . . . . . . . . 126 VAL N . 50284 2 21 . 1 . 1 15 15 VAL H H 1 6.476530 . . . . . . . . 127 VAL H . 50284 2 22 . 1 . 1 15 15 VAL N N 15 116.8101 . . . . . . . . 127 VAL N . 50284 2 23 . 1 . 1 17 17 ARG H H 1 8.682987 . . . . . . . . 129 ARG H . 50284 2 24 . 1 . 1 17 17 ARG N N 15 112.5521 . . . . . . . . 129 ARG N . 50284 2 25 . 1 . 1 18 18 MET H H 1 7.818416 . . . . . . . . 130 MET H . 50284 2 26 . 1 . 1 18 18 MET N N 15 119.2175 . . . . . . . . 130 MET N . 50284 2 27 . 1 . 1 19 19 LEU H H 1 9.136769 . . . . . . . . 131 LEU H . 50284 2 28 . 1 . 1 19 19 LEU N N 15 128.4996 . . . . . . . . 131 LEU N . 50284 2 29 . 1 . 1 20 20 ILE H H 1 9.861630 . . . . . . . . 132 ILE H . 50284 2 30 . 1 . 1 20 20 ILE N N 15 132.3371 . . . . . . . . 132 ILE N . 50284 2 31 . 1 . 1 21 21 THR H H 1 9.062058 . . . . . . . . 133 THR H . 50284 2 32 . 1 . 1 21 21 THR N N 15 123.6197 . . . . . . . . 133 THR N . 50284 2 33 . 1 . 1 22 22 ILE H H 1 9.610220 . . . . . . . . 134 ILE H . 50284 2 34 . 1 . 1 22 22 ILE N N 15 130.0856 . . . . . . . . 134 ILE N . 50284 2 35 . 1 . 1 23 23 LEU H H 1 8.747069 . . . . . . . . 135 LEU H . 50284 2 36 . 1 . 1 23 23 LEU N N 15 126.9181 . . . . . . . . 135 LEU N . 50284 2 37 . 1 . 1 24 24 GLY H H 1 6.897615 . . . . . . . . 136 GLY H . 50284 2 38 . 1 . 1 24 24 GLY N N 15 108.3792 . . . . . . . . 136 GLY N . 50284 2 39 . 1 . 1 25 25 THR H H 1 8.906946 . . . . . . . . 137 THR H . 50284 2 40 . 1 . 1 25 25 THR N N 15 116.0157 . . . . . . . . 137 THR N . 50284 2 41 . 1 . 1 26 26 VAL H H 1 8.366960 . . . . . . . . 138 VAL H . 50284 2 42 . 1 . 1 26 26 VAL N N 15 128.3015 . . . . . . . . 138 VAL N . 50284 2 43 . 1 . 1 27 27 LYS H H 1 8.187949 . . . . . . . . 139 LYS H . 50284 2 44 . 1 . 1 27 27 LYS N N 15 128.5889 . . . . . . . . 139 LYS N . 50284 2 45 . 1 . 1 29 29 ASN H H 1 8.393960 . . . . . . . . 141 ASN H . 50284 2 46 . 1 . 1 29 29 ASN N N 15 115.7820 . . . . . . . . 141 ASN N . 50284 2 47 . 1 . 1 30 30 ALA H H 1 6.863322 . . . . . . . . 142 ALA H . 50284 2 48 . 1 . 1 30 30 ALA N N 15 119.4950 . . . . . . . . 142 ALA N . 50284 2 49 . 1 . 1 31 31 ASN H H 1 9.639693 . . . . . . . . 143 ASN H . 50284 2 50 . 1 . 1 31 31 ASN N N 15 116.4301 . . . . . . . . 143 ASN N . 50284 2 51 . 1 . 1 32 32 ARG H H 1 8.719977 . . . . . . . . 144 ARG H . 50284 2 52 . 1 . 1 32 32 ARG N N 15 117.3284 . . . . . . . . 144 ARG N . 50284 2 53 . 1 . 1 33 33 ILE H H 1 8.077967 . . . . . . . . 145 ILE H . 50284 2 54 . 1 . 1 33 33 ILE N N 15 119.4186 . . . . . . . . 145 ILE N . 50284 2 55 . 1 . 1 34 34 ALA H H 1 8.813067 . . . . . . . . 146 ALA H . 50284 2 56 . 1 . 1 34 34 ALA N N 15 126.8484 . . . . . . . . 146 ALA N . 50284 2 57 . 1 . 1 35 35 LEU H H 1 8.239541 . . . . . . . . 147 LEU H . 50284 2 58 . 1 . 1 35 35 LEU N N 15 120.4893 . . . . . . . . 147 LEU N . 50284 2 59 . 1 . 1 36 36 ASP H H 1 8.933248 . . . . . . . . 148 ASP H . 50284 2 60 . 1 . 1 36 36 ASP N N 15 120.6150 . . . . . . . . 148 ASP N . 50284 2 61 . 1 . 1 37 37 PHE H H 1 9.265524 . . . . . . . . 149 PHE H . 50284 2 62 . 1 . 1 37 37 PHE N N 15 125.1641 . . . . . . . . 149 PHE N . 50284 2 63 . 1 . 1 38 38 GLN H H 1 9.083369 . . . . . . . . 150 GLN H . 50284 2 64 . 1 . 1 38 38 GLN N N 15 127.2618 . . . . . . . . 150 GLN N . 50284 2 65 . 1 . 1 39 39 ARG H H 1 8.086584 . . . . . . . . 151 ARG H . 50284 2 66 . 1 . 1 39 39 ARG N N 15 125.4202 . . . . . . . . 151 ARG N . 50284 2 67 . 1 . 1 42 42 ASP H H 1 8.407485 . . . . . . . . 154 ASP H . 50284 2 68 . 1 . 1 42 42 ASP N N 15 119.8954 . . . . . . . . 154 ASP N . 50284 2 69 . 1 . 1 43 43 VAL H H 1 9.186804 . . . . . . . . 155 VAL H . 50284 2 70 . 1 . 1 43 43 VAL N N 15 120.9292 . . . . . . . . 155 VAL N . 50284 2 71 . 1 . 1 44 44 ALA H H 1 8.864773 . . . . . . . . 156 ALA H . 50284 2 72 . 1 . 1 44 44 ALA N N 15 127.9467 . . . . . . . . 156 ALA N . 50284 2 73 . 1 . 1 45 45 PHE H H 1 7.571927 . . . . . . . . 157 PHE H . 50284 2 74 . 1 . 1 45 45 PHE N N 15 118.8417 . . . . . . . . 157 PHE N . 50284 2 75 . 1 . 1 46 46 HIS H H 1 9.235535 . . . . . . . . 158 HIS H . 50284 2 76 . 1 . 1 46 46 HIS N N 15 133.2991 . . . . . . . . 158 HIS N . 50284 2 77 . 1 . 1 47 47 PHE H H 1 8.348385 . . . . . . . . 159 PHE H . 50284 2 78 . 1 . 1 47 47 PHE N N 15 127.2146 . . . . . . . . 159 PHE N . 50284 2 79 . 1 . 1 48 48 ASN H H 1 8.356014 . . . . . . . . 160 ASN H . 50284 2 80 . 1 . 1 48 48 ASN N N 15 122.6612 . . . . . . . . 160 ASN N . 50284 2 81 . 1 . 1 50 50 ARG H H 1 9.277765 . . . . . . . . 162 ARG H . 50284 2 82 . 1 . 1 50 50 ARG N N 15 126.1223 . . . . . . . . 162 ARG N . 50284 2 83 . 1 . 1 51 51 PHE H H 1 8.127681 . . . . . . . . 163 PHE H . 50284 2 84 . 1 . 1 51 51 PHE N N 15 118.7766 . . . . . . . . 163 PHE N . 50284 2 85 . 1 . 1 52 52 ASN H H 1 8.642433 . . . . . . . . 164 ASN H . 50284 2 86 . 1 . 1 52 52 ASN N N 15 117.3395 . . . . . . . . 164 ASN N . 50284 2 87 . 1 . 1 53 53 GLU H H 1 8.964149 . . . . . . . . 165 GLU H . 50284 2 88 . 1 . 1 53 53 GLU N N 15 125.7926 . . . . . . . . 165 GLU N . 50284 2 89 . 1 . 1 55 55 ASN H H 1 8.024040 . . . . . . . . 167 ASN H . 50284 2 90 . 1 . 1 55 55 ASN N N 15 108.0740 . . . . . . . . 167 ASN N . 50284 2 91 . 1 . 1 56 56 ARG H H 1 7.365090 . . . . . . . . 168 ARG H . 50284 2 92 . 1 . 1 56 56 ARG N N 15 117.2812 . . . . . . . . 168 ARG N . 50284 2 93 . 1 . 1 57 57 ARG H H 1 7.869831 . . . . . . . . 169 ARG H . 50284 2 94 . 1 . 1 57 57 ARG N N 15 118.9006 . . . . . . . . 169 ARG N . 50284 2 95 . 1 . 1 58 58 VAL H H 1 8.560123 . . . . . . . . 170 VAL H . 50284 2 96 . 1 . 1 58 58 VAL N N 15 121.7718 . . . . . . . . 170 VAL N . 50284 2 97 . 1 . 1 59 59 ILE H H 1 8.722225 . . . . . . . . 171 ILE H . 50284 2 98 . 1 . 1 59 59 ILE N N 15 124.8606 . . . . . . . . 171 ILE N . 50284 2 99 . 1 . 1 60 60 VAL H H 1 7.398144 . . . . . . . . 172 VAL H . 50284 2 100 . 1 . 1 60 60 VAL N N 15 127.9525 . . . . . . . . 172 VAL N . 50284 2 101 . 1 . 1 61 61 CYS H H 1 8.856404 . . . . . . . . 173 CYS H . 50284 2 102 . 1 . 1 61 61 CYS N N 15 123.8683 . . . . . . . . 173 CYS N . 50284 2 103 . 1 . 1 62 62 ASN H H 1 8.933842 . . . . . . . . 174 ASN H . 50284 2 104 . 1 . 1 62 62 ASN N N 15 119.1642 . . . . . . . . 174 ASN N . 50284 2 105 . 1 . 1 63 63 THR H H 1 10.05828 . . . . . . . . 175 THR H . 50284 2 106 . 1 . 1 63 63 THR N N 15 118.7159 . . . . . . . . 175 THR N . 50284 2 107 . 1 . 1 64 64 LYS H H 1 9.056894 . . . . . . . . 176 LYS H . 50284 2 108 . 1 . 1 64 64 LYS N N 15 130.7233 . . . . . . . . 176 LYS N . 50284 2 109 . 1 . 1 65 65 LEU H H 1 7.889021 . . . . . . . . 177 LEU H . 50284 2 110 . 1 . 1 65 65 LEU N N 15 126.1227 . . . . . . . . 177 LEU N . 50284 2 111 . 1 . 1 66 66 ASP H H 1 8.949312 . . . . . . . . 178 ASP H . 50284 2 112 . 1 . 1 66 66 ASP N N 15 125.9571 . . . . . . . . 178 ASP N . 50284 2 113 . 1 . 1 67 67 ASN H H 1 9.156248 . . . . . . . . 179 ASN H . 50284 2 114 . 1 . 1 67 67 ASN N N 15 108.4311 . . . . . . . . 179 ASN N . 50284 2 115 . 1 . 1 68 68 ASN H H 1 7.757282 . . . . . . . . 180 ASN H . 50284 2 116 . 1 . 1 68 68 ASN N N 15 117.7391 . . . . . . . . 180 ASN N . 50284 2 117 . 1 . 1 69 69 TRP H H 1 8.933081 . . . . . . . . 181 TRP H . 50284 2 118 . 1 . 1 69 69 TRP N N 15 126.7781 . . . . . . . . 181 TRP N . 50284 2 119 . 1 . 1 70 70 GLY H H 1 8.152203 . . . . . . . . 182 GLY H . 50284 2 120 . 1 . 1 70 70 GLY N N 15 110.3041 . . . . . . . . 182 GLY N . 50284 2 121 . 1 . 1 71 71 ARG H H 1 8.680947 . . . . . . . . 183 ARG H . 50284 2 122 . 1 . 1 71 71 ARG N N 15 125.2284 . . . . . . . . 183 ARG N . 50284 2 123 . 1 . 1 72 72 GLU H H 1 8.850592 . . . . . . . . 184 GLU H . 50284 2 124 . 1 . 1 72 72 GLU N N 15 125.1451 . . . . . . . . 184 GLU N . 50284 2 125 . 1 . 1 73 73 GLU H H 1 9.093716 . . . . . . . . 185 GLU H . 50284 2 126 . 1 . 1 73 73 GLU N N 15 122.0750 . . . . . . . . 185 GLU N . 50284 2 127 . 1 . 1 74 74 ARG H H 1 8.902717 . . . . . . . . 186 ARG H . 50284 2 128 . 1 . 1 74 74 ARG N N 15 124.7239 . . . . . . . . 186 ARG N . 50284 2 129 . 1 . 1 75 75 GLN H H 1 8.802191 . . . . . . . . 187 GLN H . 50284 2 130 . 1 . 1 75 75 GLN N N 15 121.8398 . . . . . . . . 187 GLN N . 50284 2 131 . 1 . 1 77 77 VAL H H 1 7.871091 . . . . . . . . 189 VAL H . 50284 2 132 . 1 . 1 77 77 VAL N N 15 125.6095 . . . . . . . . 189 VAL N . 50284 2 133 . 1 . 1 78 78 PHE H H 1 8.319757 . . . . . . . . 190 PHE H . 50284 2 134 . 1 . 1 78 78 PHE N N 15 125.6549 . . . . . . . . 190 PHE N . 50284 2 135 . 1 . 1 80 80 PHE H H 1 5.744863 . . . . . . . . 192 PHE H . 50284 2 136 . 1 . 1 80 80 PHE N N 15 113.8549 . . . . . . . . 192 PHE N . 50284 2 137 . 1 . 1 81 81 GLU H H 1 9.167797 . . . . . . . . 193 GLU H . 50284 2 138 . 1 . 1 81 81 GLU N N 15 120.0284 . . . . . . . . 193 GLU N . 50284 2 139 . 1 . 1 82 82 SER H H 1 9.025975 . . . . . . . . 194 SER H . 50284 2 140 . 1 . 1 82 82 SER N N 15 120.4957 . . . . . . . . 194 SER N . 50284 2 141 . 1 . 1 83 83 GLY H H 1 7.059672 . . . . . . . . 195 GLY H . 50284 2 142 . 1 . 1 83 83 GLY N N 15 112.6507 . . . . . . . . 195 GLY N . 50284 2 143 . 1 . 1 84 84 LYS H H 1 7.747820 . . . . . . . . 196 LYS H . 50284 2 144 . 1 . 1 84 84 LYS N N 15 118.1379 . . . . . . . . 196 LYS N . 50284 2 145 . 1 . 1 86 86 PHE H H 1 8.706011 . . . . . . . . 198 PHE H . 50284 2 146 . 1 . 1 86 86 PHE N N 15 116.3593 . . . . . . . . 198 PHE N . 50284 2 147 . 1 . 1 87 87 LYS H H 1 8.066938 . . . . . . . . 199 LYS H . 50284 2 148 . 1 . 1 87 87 LYS N N 15 121.6401 . . . . . . . . 199 LYS N . 50284 2 149 . 1 . 1 88 88 ILE H H 1 9.770574 . . . . . . . . 200 ILE H . 50284 2 150 . 1 . 1 88 88 ILE N N 15 127.3541 . . . . . . . . 200 ILE N . 50284 2 151 . 1 . 1 89 89 GLN H H 1 9.255402 . . . . . . . . 201 GLN H . 50284 2 152 . 1 . 1 89 89 GLN N N 15 125.2100 . . . . . . . . 201 GLN N . 50284 2 153 . 1 . 1 90 90 VAL H H 1 9.528304 . . . . . . . . 202 VAL H . 50284 2 154 . 1 . 1 90 90 VAL N N 15 124.0570 . . . . . . . . 202 VAL N . 50284 2 155 . 1 . 1 91 91 LEU H H 1 9.401597 . . . . . . . . 203 LEU H . 50284 2 156 . 1 . 1 91 91 LEU N N 15 130.4873 . . . . . . . . 203 LEU N . 50284 2 157 . 1 . 1 92 92 VAL H H 1 8.973301 . . . . . . . . 204 VAL H . 50284 2 158 . 1 . 1 92 92 VAL N N 15 127.4265 . . . . . . . . 204 VAL N . 50284 2 159 . 1 . 1 93 93 GLU H H 1 8.301845 . . . . . . . . 205 GLU H . 50284 2 160 . 1 . 1 93 93 GLU N N 15 128.2074 . . . . . . . . 205 GLU N . 50284 2 161 . 1 . 1 95 95 ASP H H 1 7.952145 . . . . . . . . 207 ASP H . 50284 2 162 . 1 . 1 95 95 ASP N N 15 107.0978 . . . . . . . . 207 ASP N . 50284 2 163 . 1 . 1 96 96 HIS H H 1 6.439036 . . . . . . . . 208 HIS H . 50284 2 164 . 1 . 1 96 96 HIS N N 15 116.1239 . . . . . . . . 208 HIS N . 50284 2 165 . 1 . 1 97 97 PHE H H 1 8.492320 . . . . . . . . 209 PHE H . 50284 2 166 . 1 . 1 97 97 PHE N N 15 114.6506 . . . . . . . . 209 PHE N . 50284 2 167 . 1 . 1 98 98 LYS H H 1 9.659213 . . . . . . . . 210 LYS H . 50284 2 168 . 1 . 1 98 98 LYS N N 15 123.6279 . . . . . . . . 210 LYS N . 50284 2 169 . 1 . 1 99 99 VAL H H 1 9.063473 . . . . . . . . 211 VAL H . 50284 2 170 . 1 . 1 99 99 VAL N N 15 123.5166 . . . . . . . . 211 VAL N . 50284 2 171 . 1 . 1 100 100 ALA H H 1 9.228656 . . . . . . . . 212 ALA H . 50284 2 172 . 1 . 1 100 100 ALA N N 15 130.4545 . . . . . . . . 212 ALA N . 50284 2 173 . 1 . 1 101 101 VAL H H 1 8.429233 . . . . . . . . 213 VAL H . 50284 2 174 . 1 . 1 101 101 VAL N N 15 121.0034 . . . . . . . . 213 VAL N . 50284 2 175 . 1 . 1 102 102 ASN H H 1 9.857730 . . . . . . . . 214 ASN H . 50284 2 176 . 1 . 1 102 102 ASN N N 15 127.4145 . . . . . . . . 214 ASN N . 50284 2 177 . 1 . 1 103 103 ASP H H 1 8.933260 . . . . . . . . 215 ASP H . 50284 2 178 . 1 . 1 103 103 ASP N N 15 107.7982 . . . . . . . . 215 ASP N . 50284 2 179 . 1 . 1 104 104 ALA H H 1 7.625574 . . . . . . . . 216 ALA H . 50284 2 180 . 1 . 1 104 104 ALA N N 15 121.6334 . . . . . . . . 216 ALA N . 50284 2 181 . 1 . 1 106 106 LEU H H 1 8.876576 . . . . . . . . 218 LEU H . 50284 2 182 . 1 . 1 106 106 LEU N N 15 128.0802 . . . . . . . . 218 LEU N . 50284 2 183 . 1 . 1 107 107 LEU H H 1 7.522030 . . . . . . . . 219 LEU H . 50284 2 184 . 1 . 1 107 107 LEU N N 15 110.0805 . . . . . . . . 219 LEU N . 50284 2 185 . 1 . 1 108 108 GLN H H 1 8.728843 . . . . . . . . 220 GLN H . 50284 2 186 . 1 . 1 108 108 GLN N N 15 119.1418 . . . . . . . . 220 GLN N . 50284 2 187 . 1 . 1 109 109 TYR H H 1 8.891903 . . . . . . . . 221 TYR H . 50284 2 188 . 1 . 1 109 109 TYR N N 15 125.6594 . . . . . . . . 221 TYR N . 50284 2 189 . 1 . 1 110 110 ASN H H 1 9.284094 . . . . . . . . 222 ASN H . 50284 2 190 . 1 . 1 110 110 ASN N N 15 129.8328 . . . . . . . . 222 ASN N . 50284 2 191 . 1 . 1 111 111 HIS H H 1 7.120874 . . . . . . . . 223 HIS H . 50284 2 192 . 1 . 1 111 111 HIS N N 15 117.2094 . . . . . . . . 223 HIS N . 50284 2 193 . 1 . 1 112 112 ARG H H 1 9.427008 . . . . . . . . 224 ARG H . 50284 2 194 . 1 . 1 112 112 ARG N N 15 125.3539 . . . . . . . . 224 ARG N . 50284 2 195 . 1 . 1 113 113 VAL H H 1 8.310804 . . . . . . . . 225 VAL H . 50284 2 196 . 1 . 1 113 113 VAL N N 15 120.5211 . . . . . . . . 225 VAL N . 50284 2 197 . 1 . 1 115 115 LYS H H 1 7.053514 . . . . . . . . 227 LYS H . 50284 2 198 . 1 . 1 115 115 LYS N N 15 120.6623 . . . . . . . . 227 LYS N . 50284 2 199 . 1 . 1 116 116 LEU H H 1 7.596242 . . . . . . . . 228 LEU H . 50284 2 200 . 1 . 1 116 116 LEU N N 15 122.8953 . . . . . . . . 228 LEU N . 50284 2 201 . 1 . 1 117 117 ASN H H 1 8.345516 . . . . . . . . 229 ASN H . 50284 2 202 . 1 . 1 117 117 ASN N N 15 112.8553 . . . . . . . . 229 ASN N . 50284 2 203 . 1 . 1 118 118 GLU H H 1 7.360061 . . . . . . . . 230 GLU H . 50284 2 204 . 1 . 1 118 118 GLU N N 15 116.3919 . . . . . . . . 230 GLU N . 50284 2 205 . 1 . 1 119 119 ILE H H 1 7.649812 . . . . . . . . 231 ILE H . 50284 2 206 . 1 . 1 119 119 ILE N N 15 122.1692 . . . . . . . . 231 ILE N . 50284 2 207 . 1 . 1 120 120 SER H H 1 7.654013 . . . . . . . . 232 SER H . 50284 2 208 . 1 . 1 120 120 SER N N 15 116.1463 . . . . . . . . 232 SER N . 50284 2 209 . 1 . 1 121 121 LYS H H 1 7.819101 . . . . . . . . 233 LYS H . 50284 2 210 . 1 . 1 121 121 LYS N N 15 120.9098 . . . . . . . . 233 LYS N . 50284 2 211 . 1 . 1 122 122 LEU H H 1 8.544538 . . . . . . . . 234 LEU H . 50284 2 212 . 1 . 1 122 122 LEU N N 15 124.5378 . . . . . . . . 234 LEU N . 50284 2 213 . 1 . 1 123 123 GLY H H 1 9.289716 . . . . . . . . 235 GLY H . 50284 2 214 . 1 . 1 123 123 GLY N N 15 114.4119 . . . . . . . . 235 GLY N . 50284 2 215 . 1 . 1 124 124 ILE H H 1 9.187121 . . . . . . . . 236 ILE H . 50284 2 216 . 1 . 1 124 124 ILE N N 15 126.8144 . . . . . . . . 236 ILE N . 50284 2 217 . 1 . 1 125 125 SER H H 1 9.124803 . . . . . . . . 237 SER H . 50284 2 218 . 1 . 1 125 125 SER N N 15 120.0277 . . . . . . . . 237 SER N . 50284 2 219 . 1 . 1 126 126 GLY H H 1 8.918703 . . . . . . . . 238 GLY H . 50284 2 220 . 1 . 1 126 126 GLY N N 15 107.6323 . . . . . . . . 238 GLY N . 50284 2 221 . 1 . 1 127 127 ASP H H 1 8.581624 . . . . . . . . 239 ASP H . 50284 2 222 . 1 . 1 127 127 ASP N N 15 122.4200 . . . . . . . . 239 ASP N . 50284 2 223 . 1 . 1 128 128 ILE H H 1 8.009195 . . . . . . . . 240 ILE H . 50284 2 224 . 1 . 1 128 128 ILE N N 15 112.2192 . . . . . . . . 240 ILE N . 50284 2 225 . 1 . 1 129 129 ASP H H 1 8.881957 . . . . . . . . 241 ASP H . 50284 2 226 . 1 . 1 129 129 ASP N N 15 121.0337 . . . . . . . . 241 ASP N . 50284 2 227 . 1 . 1 130 130 LEU H H 1 9.253250 . . . . . . . . 242 LEU H . 50284 2 228 . 1 . 1 130 130 LEU N N 15 126.3666 . . . . . . . . 242 LEU N . 50284 2 229 . 1 . 1 131 131 THR H H 1 8.994957 . . . . . . . . 243 THR H . 50284 2 230 . 1 . 1 131 131 THR N N 15 121.4434 . . . . . . . . 243 THR N . 50284 2 231 . 1 . 1 132 132 SER H H 1 7.732206 . . . . . . . . 244 SER H . 50284 2 232 . 1 . 1 132 132 SER N N 15 112.0140 . . . . . . . . 244 SER N . 50284 2 233 . 1 . 1 133 133 ALA H H 1 8.262674 . . . . . . . . 245 ALA H . 50284 2 234 . 1 . 1 133 133 ALA N N 15 125.8328 . . . . . . . . 245 ALA N . 50284 2 235 . 1 . 1 134 134 SER H H 1 8.530887 . . . . . . . . 246 SER H . 50284 2 236 . 1 . 1 134 134 SER N N 15 115.2376 . . . . . . . . 246 SER N . 50284 2 237 . 1 . 1 135 135 TYR H H 1 8.320823 . . . . . . . . 247 TYR H . 50284 2 238 . 1 . 1 135 135 TYR N N 15 115.1894 . . . . . . . . 247 TYR N . 50284 2 239 . 1 . 1 136 136 THR H H 1 8.840888 . . . . . . . . 248 THR H . 50284 2 240 . 1 . 1 136 136 THR N N 15 115.1250 . . . . . . . . 248 THR N . 50284 2 241 . 1 . 1 137 137 MET H H 1 8.080803 . . . . . . . . 249 MET H . 50284 2 242 . 1 . 1 137 137 MET N N 15 120.7715 . . . . . . . . 249 MET N . 50284 2 243 . 1 . 1 138 138 ILE H H 1 8.571333 . . . . . . . . 250 ILE H . 50284 2 244 . 1 . 1 138 138 ILE N N 15 125.1950 . . . . . . . . 250 ILE N . 50284 2 stop_ save_