################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16892 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 16892 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 2 $SPARKY . . 16892 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.03 0.01 . 2 . . . . 60 GLY HA2 . 16892 1 2 . 1 1 1 1 GLY HA3 H 1 4.00 0.01 . 2 . . . . 60 GLY HA3 . 16892 1 3 . 1 1 2 2 ARG H H 1 8.81 0.01 . 1 . . . . 61 ARG H . 16892 1 4 . 1 1 2 2 ARG HA H 1 4.25 0.01 . 1 . . . . 61 ARG HA . 16892 1 5 . 1 1 2 2 ARG HB2 H 1 1.91 0.01 . 1 . . . . 61 ARG HB2 . 16892 1 6 . 1 1 2 2 ARG HB3 H 1 1.91 0.01 . 1 . . . . 61 ARG HB3 . 16892 1 7 . 1 1 2 2 ARG HD2 H 1 3.24 0.01 . 1 . . . . 61 ARG HD2 . 16892 1 8 . 1 1 2 2 ARG HD3 H 1 3.24 0.01 . 1 . . . . 61 ARG HD3 . 16892 1 9 . 1 1 2 2 ARG HE H 1 7.14 0.01 . 1 . . . . 61 ARG HE . 16892 1 10 . 1 1 2 2 ARG HG2 H 1 1.75 0.01 . 1 . . . . 61 ARG HG2 . 16892 1 11 . 1 1 2 2 ARG HG3 H 1 1.75 0.01 . 1 . . . . 61 ARG HG3 . 16892 1 12 . 1 1 3 3 ASP H H 1 8.54 0.01 . 1 . . . . 62 ASP H . 16892 1 13 . 1 1 3 3 ASP HA H 1 4.49 0.01 . 1 . . . . 62 ASP HA . 16892 1 14 . 1 1 3 3 ASP HB2 H 1 2.86 0.01 . 1 . . . . 62 ASP HB2 . 16892 1 15 . 1 1 3 3 ASP HB3 H 1 2.86 0.01 . 1 . . . . 62 ASP HB3 . 16892 1 16 . 1 1 4 4 ALA H H 1 7.94 0.01 . 1 . . . . 63 ALA H . 16892 1 17 . 1 1 4 4 ALA HA H 1 4.14 0.01 . 1 . . . . 63 ALA HA . 16892 1 18 . 1 1 4 4 ALA HB1 H 1 1.54 0.01 . 1 . . . . 63 ALA MB . 16892 1 19 . 1 1 4 4 ALA HB2 H 1 1.54 0.01 . 1 . . . . 63 ALA MB . 16892 1 20 . 1 1 4 4 ALA HB3 H 1 1.54 0.01 . 1 . . . . 63 ALA MB . 16892 1 21 . 1 1 5 5 VAL H H 1 7.52 0.01 . 1 . . . . 64 VAL H . 16892 1 22 . 1 1 5 5 VAL HA H 1 3.78 0.01 . 1 . . . . 64 VAL HA . 16892 1 23 . 1 1 5 5 VAL HB H 1 2.24 0.01 . 1 . . . . 64 VAL HB . 16892 1 24 . 1 1 5 5 VAL HG11 H 1 1.09 0.01 . 2 . . . . 64 VAL MG1 . 16892 1 25 . 1 1 5 5 VAL HG12 H 1 1.09 0.01 . 2 . . . . 64 VAL MG1 . 16892 1 26 . 1 1 5 5 VAL HG13 H 1 1.09 0.01 . 2 . . . . 64 VAL MG1 . 16892 1 27 . 1 1 5 5 VAL HG21 H 1 1.01 0.01 . 2 . . . . 64 VAL MG2 . 16892 1 28 . 1 1 5 5 VAL HG22 H 1 1.01 0.01 . 2 . . . . 64 VAL MG2 . 16892 1 29 . 1 1 5 5 VAL HG23 H 1 1.01 0.01 . 2 . . . . 64 VAL MG2 . 16892 1 30 . 1 1 6 6 ILE H H 1 7.78 0.01 . 1 . . . . 65 ILE H . 16892 1 31 . 1 1 6 6 ILE HA H 1 3.76 0.01 . 1 . . . . 65 ILE HA . 16892 1 32 . 1 1 6 6 ILE HB H 1 2.04 0.01 . 1 . . . . 65 ILE HB . 16892 1 33 . 1 1 6 6 ILE HD11 H 1 0.89 0.01 . 1 . . . . 65 ILE MD . 16892 1 34 . 1 1 6 6 ILE HD12 H 1 0.89 0.01 . 1 . . . . 65 ILE MD . 16892 1 35 . 1 1 6 6 ILE HD13 H 1 0.89 0.01 . 1 . . . . 65 ILE MD . 16892 1 36 . 1 1 6 6 ILE HG12 H 1 1.69 0.01 . 2 . . . . 65 ILE HG12 . 16892 1 37 . 1 1 6 6 ILE HG13 H 1 1.23 0.01 . 2 . . . . 65 ILE HG13 . 16892 1 38 . 1 1 6 6 ILE HG21 H 1 0.96 0.01 . 1 . . . . 65 ILE MG . 16892 1 39 . 1 1 6 6 ILE HG22 H 1 0.96 0.01 . 1 . . . . 65 ILE MG . 16892 1 40 . 1 1 6 6 ILE HG23 H 1 0.96 0.01 . 1 . . . . 65 ILE MG . 16892 1 41 . 1 1 7 7 LEU H H 1 7.83 0.01 . 1 . . . . 66 LEU H . 16892 1 42 . 1 1 7 7 LEU HA H 1 4.10 0.01 . 1 . . . . 66 LEU HA . 16892 1 43 . 1 1 7 7 LEU HB2 H 1 1.86 0.01 . 2 . . . . 66 LEU HB2 . 16892 1 44 . 1 1 7 7 LEU HD11 H 1 1.00 0.01 . 1 . . . . 66 LEU MD1 . 16892 1 45 . 1 1 7 7 LEU HD12 H 1 1.00 0.01 . 1 . . . . 66 LEU MD1 . 16892 1 46 . 1 1 7 7 LEU HD13 H 1 1.00 0.01 . 1 . . . . 66 LEU MD1 . 16892 1 47 . 1 1 7 7 LEU HD21 H 1 1.00 0.01 . 1 . . . . 66 LEU MD2 . 16892 1 48 . 1 1 7 7 LEU HD22 H 1 1.00 0.01 . 1 . . . . 66 LEU MD2 . 16892 1 49 . 1 1 7 7 LEU HD23 H 1 1.00 0.01 . 1 . . . . 66 LEU MD2 . 16892 1 50 . 1 1 8 8 LEU H H 1 8.33 0.01 . 1 . . . . 67 LEU H . 16892 1 51 . 1 1 8 8 LEU HA H 1 4.16 0.01 . 1 . . . . 67 LEU HA . 16892 1 52 . 1 1 8 8 LEU HB2 H 1 1.87 0.01 . 2 . . . . 67 LEU HB2 . 16892 1 53 . 1 1 8 8 LEU HB3 H 1 1.69 0.01 . 2 . . . . 67 LEU HB3 . 16892 1 54 . 1 1 9 9 THR H H 1 8.03 0.01 . 1 . . . . 68 THR H . 16892 1 55 . 1 1 9 9 THR HA H 1 4.03 0.01 . 1 . . . . 68 THR HA . 16892 1 56 . 1 1 9 9 THR HB H 1 4.46 0.01 . 1 . . . . 68 THR HB . 16892 1 57 . 1 1 9 9 THR HG21 H 1 1.34 0.01 . 1 . . . . 68 THR MG . 16892 1 58 . 1 1 9 9 THR HG22 H 1 1.34 0.01 . 1 . . . . 68 THR MG . 16892 1 59 . 1 1 9 9 THR HG23 H 1 1.34 0.01 . 1 . . . . 68 THR MG . 16892 1 60 . 1 1 10 10 CYS H H 1 8.20 0.01 . 1 . . . . 69 CYS H . 16892 1 61 . 1 1 10 10 CYS HA H 1 4.28 0.01 . 1 . . . . 69 CYS HA . 16892 1 62 . 1 1 10 10 CYS HB2 H 1 3.18 0.01 . 2 . . . . 69 CYS HB2 . 16892 1 63 . 1 1 10 10 CYS HB3 H 1 2.89 0.01 . 2 . . . . 69 CYS HB3 . 16892 1 64 . 1 1 11 11 ALA H H 1 8.07 0.01 . 1 . . . . 70 ALA H . 16892 1 65 . 1 1 11 11 ALA HA H 1 4.29 0.01 . 1 . . . . 70 ALA HA . 16892 1 66 . 1 1 11 11 ALA HB1 H 1 1.56 0.01 . 1 . . . . 70 ALA MB . 16892 1 67 . 1 1 11 11 ALA HB2 H 1 1.56 0.01 . 1 . . . . 70 ALA MB . 16892 1 68 . 1 1 11 11 ALA HB3 H 1 1.56 0.01 . 1 . . . . 70 ALA MB . 16892 1 69 . 1 1 12 12 ILE H H 1 7.87 0.01 . 1 . . . . 71 ILE H . 16892 1 70 . 1 1 12 12 ILE HA H 1 4.15 0.01 . 1 . . . . 71 ILE HA . 16892 1 71 . 1 1 12 12 ILE HB H 1 1.95 0.01 . 1 . . . . 71 ILE HB . 16892 1 72 . 1 1 12 12 ILE HD11 H 1 0.84 0.01 . 1 . . . . 71 ILE MD . 16892 1 73 . 1 1 12 12 ILE HD12 H 1 0.84 0.01 . 1 . . . . 71 ILE MD . 16892 1 74 . 1 1 12 12 ILE HD13 H 1 0.84 0.01 . 1 . . . . 71 ILE MD . 16892 1 75 . 1 1 13 13 HIS H H 1 8.09 0.01 . 1 . . . . 72 HIS H . 16892 1 76 . 1 1 13 13 HIS HA H 1 5.06 0.01 . 1 . . . . 72 HIS HA . 16892 1 77 . 1 1 13 13 HIS HB2 H 1 3.45 0.01 . 2 . . . . 72 HIS HB2 . 16892 1 78 . 1 1 13 13 HIS HB3 H 1 3.35 0.01 . 2 . . . . 72 HIS HB3 . 16892 1 79 . 1 1 14 14 PRO HA H 1 4.37 0.01 . 1 . . . . 73 PRO HA . 16892 1 80 . 1 1 14 14 PRO HB2 H 1 2.37 0.01 . 1 . . . . 73 PRO HB2 . 16892 1 81 . 1 1 14 14 PRO HB3 H 1 2.37 0.01 . 1 . . . . 73 PRO HB3 . 16892 1 82 . 1 1 14 14 PRO HD2 H 1 3.79 0.01 . 2 . . . . 73 PRO HD2 . 16892 1 83 . 1 1 14 14 PRO HD3 H 1 3.66 0.01 . 2 . . . . 73 PRO HD3 . 16892 1 84 . 1 1 14 14 PRO HG2 H 1 2.09 0.01 . 1 . . . . 73 PRO HG2 . 16892 1 85 . 1 1 14 14 PRO HG3 H 1 2.09 0.01 . 1 . . . . 73 PRO HG3 . 16892 1 86 . 1 1 15 15 GLU H H 1 8.48 0.01 . 1 . . . . 74 GLU H . 16892 1 87 . 1 1 15 15 GLU HA H 1 4.22 0.01 . 1 . . . . 74 GLU HA . 16892 1 88 . 1 1 15 15 GLU HB2 H 1 2.22 0.01 . 2 . . . . 74 GLU HB2 . 16892 1 89 . 1 1 15 15 GLU HB3 H 1 2.22 0.01 . 2 . . . . 74 GLU HB3 . 16892 1 90 . 1 1 15 15 GLU HG2 H 1 2.59 0.01 . 2 . . . . 74 GLU HG2 . 16892 1 91 . 1 1 15 15 GLU HG3 H 1 2.59 0.01 . 2 . . . . 74 GLU HG3 . 16892 1 92 . 1 1 16 16 LEU H H 1 8.22 0.01 . 1 . . . . 75 LEU H . 16892 1 93 . 1 1 16 16 LEU HA H 1 4.27 0.01 . 1 . . . . 75 LEU HA . 16892 1 94 . 1 1 16 16 LEU HB2 H 1 1.87 0.01 . 1 . . . . 75 LEU HB2 . 16892 1 95 . 1 1 16 16 LEU HB3 H 1 1.87 0.01 . 1 . . . . 75 LEU HB3 . 16892 1 96 . 1 1 16 16 LEU HD11 H 1 0.99 0.01 . 2 . . . . 75 LEU MD1 . 16892 1 97 . 1 1 16 16 LEU HD12 H 1 0.99 0.01 . 2 . . . . 75 LEU MD1 . 16892 1 98 . 1 1 16 16 LEU HD13 H 1 0.99 0.01 . 2 . . . . 75 LEU MD1 . 16892 1 99 . 1 1 16 16 LEU HD21 H 1 0.95 0.01 . 2 . . . . 75 LEU MD2 . 16892 1 100 . 1 1 16 16 LEU HD22 H 1 0.95 0.01 . 2 . . . . 75 LEU MD2 . 16892 1 101 . 1 1 16 16 LEU HD23 H 1 0.95 0.01 . 2 . . . . 75 LEU MD2 . 16892 1 102 . 1 1 17 17 ILE H H 1 7.68 0.01 . 1 . . . . 76 ILE H . 16892 1 103 . 1 1 17 17 ILE HA H 1 3.84 0.01 . 1 . . . . 76 ILE HA . 16892 1 104 . 1 1 17 17 ILE HB H 1 1.97 0.01 . 1 . . . . 76 ILE HB . 16892 1 105 . 1 1 17 17 ILE HD11 H 1 0.86 0.01 . 1 . . . . 76 ILE MD . 16892 1 106 . 1 1 17 17 ILE HD12 H 1 0.86 0.01 . 1 . . . . 76 ILE MD . 16892 1 107 . 1 1 17 17 ILE HD13 H 1 0.86 0.01 . 1 . . . . 76 ILE MD . 16892 1 108 . 1 1 17 17 ILE HG12 H 1 1.53 0.01 . 2 . . . . 76 ILE HG12 . 16892 1 109 . 1 1 17 17 ILE HG13 H 1 1.30 0.01 . 2 . . . . 76 ILE HG13 . 16892 1 110 . 1 1 17 17 ILE HG21 H 1 0.86 0.01 . 1 . . . . 76 ILE MG . 16892 1 111 . 1 1 17 17 ILE HG22 H 1 0.86 0.01 . 1 . . . . 76 ILE MG . 16892 1 112 . 1 1 17 17 ILE HG23 H 1 0.86 0.01 . 1 . . . . 76 ILE MG . 16892 1 113 . 1 1 18 18 PHE H H 1 8.33 0.01 . 1 . . . . 77 PHE H . 16892 1 114 . 1 1 18 18 PHE HA H 1 4.35 0.01 . 1 . . . . 77 PHE HA . 16892 1 115 . 1 1 18 18 PHE HB2 H 1 3.27 0.01 . 1 . . . . 77 PHE HB2 . 16892 1 116 . 1 1 18 18 PHE HB3 H 1 3.27 0.01 . 1 . . . . 77 PHE HB3 . 16892 1 117 . 1 1 18 18 PHE HD1 H 1 7.29 0.01 . 1 . . . . 77 PHE HD1 . 16892 1 118 . 1 1 18 18 PHE HD2 H 1 7.29 0.01 . 1 . . . . 77 PHE HD2 . 16892 1 119 . 1 1 19 19 THR H H 1 7.93 0.01 . 1 . . . . 78 THR H . 16892 1 120 . 1 1 19 19 THR HA H 1 3.90 0.01 . 1 . . . . 78 THR HA . 16892 1 121 . 1 1 19 19 THR HB H 1 4.48 0.01 . 1 . . . . 78 THR HB . 16892 1 122 . 1 1 19 19 THR HG21 H 1 1.32 0.01 . 1 . . . . 78 THR MG . 16892 1 123 . 1 1 19 19 THR HG22 H 1 1.32 0.01 . 1 . . . . 78 THR MG . 16892 1 124 . 1 1 19 19 THR HG23 H 1 1.32 0.01 . 1 . . . . 78 THR MG . 16892 1 125 . 1 1 20 20 ILE H H 1 8.52 0.01 . 1 . . . . 79 ILE H . 16892 1 126 . 1 1 20 20 ILE HA H 1 3.78 0.01 . 1 . . . . 79 ILE HA . 16892 1 127 . 1 1 20 20 ILE HB H 1 1.93 0.01 . 1 . . . . 79 ILE HB . 16892 1 128 . 1 1 20 20 ILE HD11 H 1 0.87 0.01 . 1 . . . . 79 ILE MD . 16892 1 129 . 1 1 20 20 ILE HD12 H 1 0.87 0.01 . 1 . . . . 79 ILE MD . 16892 1 130 . 1 1 20 20 ILE HD13 H 1 0.87 0.01 . 1 . . . . 79 ILE MD . 16892 1 131 . 1 1 20 20 ILE HG12 H 1 1.77 0.01 . 2 . . . . 79 ILE HG12 . 16892 1 132 . 1 1 20 20 ILE HG13 H 1 1.24 0.01 . 2 . . . . 79 ILE HG13 . 16892 1 133 . 1 1 20 20 ILE HG21 H 1 0.97 0.01 . 1 . . . . 79 ILE MG . 16892 1 134 . 1 1 20 20 ILE HG22 H 1 0.97 0.01 . 1 . . . . 79 ILE MG . 16892 1 135 . 1 1 20 20 ILE HG23 H 1 0.97 0.01 . 1 . . . . 79 ILE MG . 16892 1 136 . 1 1 21 21 THR H H 1 8.06 0.01 . 1 . . . . 80 THR H . 16892 1 137 . 1 1 21 21 THR HA H 1 3.86 0.01 . 1 . . . . 80 THR HA . 16892 1 138 . 1 1 21 21 THR HB H 1 4.34 0.01 . 1 . . . . 80 THR HB . 16892 1 139 . 1 1 21 21 THR HG21 H 1 1.29 0.01 . 1 . . . . 80 THR MG . 16892 1 140 . 1 1 21 21 THR HG22 H 1 1.29 0.01 . 1 . . . . 80 THR MG . 16892 1 141 . 1 1 21 21 THR HG23 H 1 1.29 0.01 . 1 . . . . 80 THR MG . 16892 1 142 . 1 1 22 22 LYS H H 1 7.72 0.01 . 1 . . . . 81 LYS H . 16892 1 143 . 1 1 22 22 LYS HA H 1 3.95 0.01 . 1 . . . . 81 LYS HA . 16892 1 144 . 1 1 22 22 LYS HB2 H 1 2.01 0.01 . 2 . . . . 81 LYS HB2 . 16892 1 145 . 1 1 22 22 LYS HB3 H 1 1.92 0.01 . 2 . . . . 81 LYS HB3 . 16892 1 146 . 1 1 22 22 LYS HD2 H 1 1.66 0.01 . 1 . . . . 81 LYS HD2 . 16892 1 147 . 1 1 22 22 LYS HD3 H 1 1.66 0.01 . 1 . . . . 81 LYS HD3 . 16892 1 148 . 1 1 22 22 LYS HE2 H 1 2.92 0.01 . 1 . . . . 81 LYS HE2 . 16892 1 149 . 1 1 22 22 LYS HE3 H 1 2.92 0.01 . 1 . . . . 81 LYS HE3 . 16892 1 150 . 1 1 22 22 LYS HG2 H 1 1.39 0.01 . 1 . . . . 81 LYS HG2 . 16892 1 151 . 1 1 22 22 LYS HG3 H 1 1.39 0.01 . 1 . . . . 81 LYS HG3 . 16892 1 152 . 1 1 22 22 LYS HZ1 H 1 7.54 0.01 . 1 . . . . 81 LYS QZ . 16892 1 153 . 1 1 22 22 LYS HZ2 H 1 7.54 0.01 . 1 . . . . 81 LYS QZ . 16892 1 154 . 1 1 22 22 LYS HZ3 H 1 7.54 0.01 . 1 . . . . 81 LYS QZ . 16892 1 155 . 1 1 23 23 ILE H H 1 7.90 0.01 . 1 . . . . 82 ILE H . 16892 1 156 . 1 1 23 23 ILE HA H 1 3.74 0.01 . 1 . . . . 82 ILE HA . 16892 1 157 . 1 1 23 23 ILE HB H 1 2.07 0.01 . 1 . . . . 82 ILE HB . 16892 1 158 . 1 1 23 23 ILE HD11 H 1 0.87 0.01 . 1 . . . . 82 ILE MD . 16892 1 159 . 1 1 23 23 ILE HD12 H 1 0.87 0.01 . 1 . . . . 82 ILE MD . 16892 1 160 . 1 1 23 23 ILE HD13 H 1 0.87 0.01 . 1 . . . . 82 ILE MD . 16892 1 161 . 1 1 23 23 ILE HG21 H 1 0.96 0.01 . 1 . . . . 82 ILE MG . 16892 1 162 . 1 1 23 23 ILE HG22 H 1 0.96 0.01 . 1 . . . . 82 ILE MG . 16892 1 163 . 1 1 23 23 ILE HG23 H 1 0.96 0.01 . 1 . . . . 82 ILE MG . 16892 1 164 . 1 1 24 24 LEU H H 1 8.53 0.01 . 1 . . . . 83 LEU H . 16892 1 165 . 1 1 24 24 LEU HA H 1 4.10 0.01 . 1 . . . . 83 LEU HA . 16892 1 166 . 1 1 24 24 LEU HB2 H 1 1.93 0.01 . 2 . . . . 83 LEU HB2 . 16892 1 167 . 1 1 24 24 LEU HB3 H 1 1.53 0.01 . 2 . . . . 83 LEU HB3 . 16892 1 168 . 1 1 24 24 LEU HD11 H 1 0.96 0.01 . 2 . . . . 83 LEU MD1 . 16892 1 169 . 1 1 24 24 LEU HD12 H 1 0.96 0.01 . 2 . . . . 83 LEU MD1 . 16892 1 170 . 1 1 24 24 LEU HD13 H 1 0.96 0.01 . 2 . . . . 83 LEU MD1 . 16892 1 171 . 1 1 24 24 LEU HD21 H 1 0.89 0.01 . 2 . . . . 83 LEU MD2 . 16892 1 172 . 1 1 24 24 LEU HD22 H 1 0.89 0.01 . 2 . . . . 83 LEU MD2 . 16892 1 173 . 1 1 24 24 LEU HD23 H 1 0.89 0.01 . 2 . . . . 83 LEU MD2 . 16892 1 174 . 1 1 25 25 LEU H H 1 8.44 0.01 . 1 . . . . 84 LEU H . 16892 1 175 . 1 1 25 25 LEU HA H 1 4.08 0.01 . 1 . . . . 84 LEU HA . 16892 1 176 . 1 1 25 25 LEU HB2 H 1 1.93 0.01 . 2 . . . . 84 LEU HB2 . 16892 1 177 . 1 1 25 25 LEU HB3 H 1 1.53 0.01 . 2 . . . . 84 LEU HB3 . 16892 1 178 . 1 1 25 25 LEU HD11 H 1 0.89 0.01 . 2 . . . . 84 LEU MD1 . 16892 1 179 . 1 1 25 25 LEU HD12 H 1 0.89 0.01 . 2 . . . . 84 LEU MD1 . 16892 1 180 . 1 1 25 25 LEU HD13 H 1 0.89 0.01 . 2 . . . . 84 LEU MD1 . 16892 1 181 . 1 1 25 25 LEU HD21 H 1 0.89 0.01 . 2 . . . . 84 LEU MD2 . 16892 1 182 . 1 1 25 25 LEU HD22 H 1 0.89 0.01 . 2 . . . . 84 LEU MD2 . 16892 1 183 . 1 1 25 25 LEU HD23 H 1 0.89 0.01 . 2 . . . . 84 LEU MD2 . 16892 1 184 . 1 1 26 26 ALA H H 1 7.90 0.01 . 1 . . . . 85 ALA H . 16892 1 185 . 1 1 26 26 ALA HA H 1 4.23 0.01 . 1 . . . . 85 ALA HA . 16892 1 186 . 1 1 26 26 ALA HB1 H 1 1.63 0.01 . 1 . . . . 85 ALA MB . 16892 1 187 . 1 1 26 26 ALA HB2 H 1 1.63 0.01 . 1 . . . . 85 ALA MB . 16892 1 188 . 1 1 26 26 ALA HB3 H 1 1.63 0.01 . 1 . . . . 85 ALA MB . 16892 1 189 . 1 1 27 27 ILE H H 1 8.05 0.01 . 1 . . . . 86 ILE H . 16892 1 190 . 1 1 27 27 ILE HA H 1 4.05 0.01 . 1 . . . . 86 ILE HA . 16892 1 191 . 1 1 27 27 ILE HB H 1 2.02 0.01 . 1 . . . . 86 ILE HB . 16892 1 192 . 1 1 27 27 ILE HD11 H 1 0.87 0.01 . 1 . . . . 86 ILE MD . 16892 1 193 . 1 1 27 27 ILE HD12 H 1 0.87 0.01 . 1 . . . . 86 ILE MD . 16892 1 194 . 1 1 27 27 ILE HD13 H 1 0.87 0.01 . 1 . . . . 86 ILE MD . 16892 1 195 . 1 1 27 27 ILE HG12 H 1 1.84 0.01 . 2 . . . . 86 ILE HG12 . 16892 1 196 . 1 1 27 27 ILE HG13 H 1 1.25 0.01 . 2 . . . . 86 ILE HG13 . 16892 1 197 . 1 1 27 27 ILE HG21 H 1 0.97 0.01 . 1 . . . . 86 ILE MG . 16892 1 198 . 1 1 27 27 ILE HG22 H 1 0.97 0.01 . 1 . . . . 86 ILE MG . 16892 1 199 . 1 1 27 27 ILE HG23 H 1 0.97 0.01 . 1 . . . . 86 ILE MG . 16892 1 200 . 1 1 28 28 LEU H H 1 8.73 0.01 . 1 . . . . 87 LEU H . 16892 1 201 . 1 1 28 28 LEU HA H 1 4.40 0.01 . 1 . . . . 87 LEU HA . 16892 1 202 . 1 1 28 28 LEU HB2 H 1 1.92 0.01 . 2 . . . . 87 LEU HB2 . 16892 1 203 . 1 1 28 28 LEU HB3 H 1 1.85 0.01 . 2 . . . . 87 LEU HB3 . 16892 1 204 . 1 1 28 28 LEU HD11 H 1 0.91 0.01 . 1 . . . . 87 LEU MD1 . 16892 1 205 . 1 1 28 28 LEU HD12 H 1 0.91 0.01 . 1 . . . . 87 LEU MD1 . 16892 1 206 . 1 1 28 28 LEU HD13 H 1 0.91 0.01 . 1 . . . . 87 LEU MD1 . 16892 1 207 . 1 1 28 28 LEU HD21 H 1 0.91 0.01 . 1 . . . . 87 LEU MD2 . 16892 1 208 . 1 1 28 28 LEU HD22 H 1 0.91 0.01 . 1 . . . . 87 LEU MD2 . 16892 1 209 . 1 1 28 28 LEU HD23 H 1 0.91 0.01 . 1 . . . . 87 LEU MD2 . 16892 1 210 . 1 1 28 28 LEU HG H 1 1.60 0.01 . 1 . . . . 87 LEU HG . 16892 1 211 . 1 1 29 29 GLY H H 1 8.05 0.01 . 1 . . . . 88 GLY H . 16892 1 212 . 1 1 29 29 GLY HA2 H 1 4.04 0.01 . 2 . . . . 88 GLY HA2 . 16892 1 213 . 1 1 29 29 GLY HA3 H 1 3.97 0.01 . 2 . . . . 88 GLY HA3 . 16892 1 214 . 1 1 30 30 PRO HA H 1 4.24 0.01 . 1 . . . . 89 PRO HA . 16892 1 215 . 1 1 30 30 PRO HB2 H 1 2.38 0.01 . 1 . . . . 89 PRO HB2 . 16892 1 216 . 1 1 30 30 PRO HB3 H 1 2.38 0.01 . 1 . . . . 89 PRO HB3 . 16892 1 217 . 1 1 30 30 PRO HD2 H 1 3.71 0.01 . 2 . . . . 89 PRO HD2 . 16892 1 218 . 1 1 30 30 PRO HD3 H 1 3.67 0.01 . 2 . . . . 89 PRO HD3 . 16892 1 219 . 1 1 30 30 PRO HG2 H 1 2.19 0.01 . 1 . . . . 89 PRO HG2 . 16892 1 220 . 1 1 30 30 PRO HG3 H 1 2.19 0.01 . 1 . . . . 89 PRO HG3 . 16892 1 221 . 1 1 31 31 LEU H H 1 7.38 0.01 . 1 . . . . 90 LEU H . 16892 1 222 . 1 1 31 31 LEU HA H 1 4.20 0.01 . 1 . . . . 90 LEU HA . 16892 1 223 . 1 1 31 31 LEU HB2 H 1 1.94 0.01 . 2 . . . . 90 LEU HB2 . 16892 1 224 . 1 1 31 31 LEU HB3 H 1 1.70 0.01 . 2 . . . . 90 LEU HB3 . 16892 1 225 . 1 1 31 31 LEU HD11 H 1 1.00 0.01 . 1 . . . . 90 LEU MD1 . 16892 1 226 . 1 1 31 31 LEU HD12 H 1 1.00 0.01 . 1 . . . . 90 LEU MD1 . 16892 1 227 . 1 1 31 31 LEU HD13 H 1 1.00 0.01 . 1 . . . . 90 LEU MD1 . 16892 1 228 . 1 1 31 31 LEU HD21 H 1 1.00 0.01 . 1 . . . . 90 LEU MD2 . 16892 1 229 . 1 1 31 31 LEU HD22 H 1 1.00 0.01 . 1 . . . . 90 LEU MD2 . 16892 1 230 . 1 1 31 31 LEU HD23 H 1 1.00 0.01 . 1 . . . . 90 LEU MD2 . 16892 1 231 . 1 1 32 32 MET H H 1 8.22 0.01 . 1 . . . . 91 MET H . 16892 1 232 . 1 1 32 32 MET HA H 1 4.22 0.01 . 1 . . . . 91 MET HA . 16892 1 233 . 1 1 32 32 MET HB2 H 1 2.36 0.01 . 2 . . . . 91 MET HB2 . 16892 1 234 . 1 1 32 32 MET HB3 H 1 2.14 0.01 . 2 . . . . 91 MET HB3 . 16892 1 235 . 1 1 32 32 MET HG2 H 1 2.74 0.01 . 1 . . . . 91 MET HG2 . 16892 1 236 . 1 1 32 32 MET HG3 H 1 2.74 0.01 . 1 . . . . 91 MET HG3 . 16892 1 237 . 1 1 33 33 VAL H H 1 7.93 0.01 . 1 . . . . 92 VAL H . 16892 1 238 . 1 1 33 33 VAL HA H 1 3.73 0.01 . 1 . . . . 92 VAL HA . 16892 1 239 . 1 1 33 33 VAL HB H 1 2.22 0.01 . 1 . . . . 92 VAL HB . 16892 1 240 . 1 1 33 33 VAL HG11 H 1 1.07 0.01 . 2 . . . . 92 VAL MG1 . 16892 1 241 . 1 1 33 33 VAL HG12 H 1 1.07 0.01 . 2 . . . . 92 VAL MG1 . 16892 1 242 . 1 1 33 33 VAL HG13 H 1 1.07 0.01 . 2 . . . . 92 VAL MG1 . 16892 1 243 . 1 1 33 33 VAL HG21 H 1 0.98 0.01 . 2 . . . . 92 VAL MG2 . 16892 1 244 . 1 1 33 33 VAL HG22 H 1 0.98 0.01 . 2 . . . . 92 VAL MG2 . 16892 1 245 . 1 1 33 33 VAL HG23 H 1 0.98 0.01 . 2 . . . . 92 VAL MG2 . 16892 1 246 . 1 1 34 34 LEU H H 1 8.01 0.01 . 1 . . . . 93 LEU H . 16892 1 247 . 1 1 34 34 LEU HA H 1 4.19 0.01 . 1 . . . . 93 LEU HA . 16892 1 248 . 1 1 34 34 LEU HB2 H 1 1.91 0.01 . 2 . . . . 93 LEU HB2 . 16892 1 249 . 1 1 34 34 LEU HB3 H 1 1.76 0.01 . 2 . . . . 93 LEU HB3 . 16892 1 250 . 1 1 34 34 LEU HD11 H 1 0.96 0.01 . 1 . . . . 93 LEU MD1 . 16892 1 251 . 1 1 34 34 LEU HD12 H 1 0.96 0.01 . 1 . . . . 93 LEU MD1 . 16892 1 252 . 1 1 34 34 LEU HD13 H 1 0.96 0.01 . 1 . . . . 93 LEU MD1 . 16892 1 253 . 1 1 34 34 LEU HD21 H 1 0.96 0.01 . 1 . . . . 93 LEU MD2 . 16892 1 254 . 1 1 34 34 LEU HD22 H 1 0.96 0.01 . 1 . . . . 93 LEU MD2 . 16892 1 255 . 1 1 34 34 LEU HD23 H 1 0.96 0.01 . 1 . . . . 93 LEU MD2 . 16892 1 256 . 1 1 35 35 GLN H H 1 8.20 0.01 . 1 . . . . 94 GLN H . 16892 1 257 . 1 1 35 35 GLN HA H 1 4.10 0.01 . 1 . . . . 94 GLN HA . 16892 1 258 . 1 1 35 35 GLN HB2 H 1 2.24 0.01 . 1 . . . . 94 GLN HB2 . 16892 1 259 . 1 1 35 35 GLN HB3 H 1 2.24 0.01 . 1 . . . . 94 GLN HB3 . 16892 1 260 . 1 1 35 35 GLN HG2 H 1 2.57 0.01 . 1 . . . . 94 GLN HG2 . 16892 1 261 . 1 1 35 35 GLN HG3 H 1 2.57 0.01 . 1 . . . . 94 GLN HG3 . 16892 1 262 . 1 1 36 36 ALA H H 1 8.07 0.01 . 1 . . . . 95 ALA H . 16892 1 263 . 1 1 36 36 ALA HA H 1 4.22 0.01 . 1 . . . . 95 ALA HA . 16892 1 264 . 1 1 36 36 ALA HB1 H 1 1.56 0.01 . 1 . . . . 95 ALA MB . 16892 1 265 . 1 1 36 36 ALA HB2 H 1 1.56 0.01 . 1 . . . . 95 ALA MB . 16892 1 266 . 1 1 36 36 ALA HB3 H 1 1.56 0.01 . 1 . . . . 95 ALA MB . 16892 1 267 . 1 1 37 37 GLY H H 1 8.07 0.01 . 1 . . . . 96 GLY H . 16892 1 268 . 1 1 37 37 GLY HA2 H 1 4.04 0.01 . 1 . . . . 96 GLY HA2 . 16892 1 269 . 1 1 37 37 GLY HA3 H 1 4.04 0.01 . 1 . . . . 96 GLY HA3 . 16892 1 270 . 1 1 38 38 ILE H H 1 7.80 0.01 . 1 . . . . 97 ILE H . 16892 1 271 . 1 1 38 38 ILE HA H 1 4.21 0.01 . 1 . . . . 97 ILE HA . 16892 1 272 . 1 1 38 38 ILE HB H 1 2.04 0.01 . 1 . . . . 97 ILE HB . 16892 1 273 . 1 1 38 38 ILE HD11 H 1 1.00 0.01 . 1 . . . . 97 ILE MD . 16892 1 274 . 1 1 38 38 ILE HD12 H 1 1.00 0.01 . 1 . . . . 97 ILE MD . 16892 1 275 . 1 1 38 38 ILE HD13 H 1 1.00 0.01 . 1 . . . . 97 ILE MD . 16892 1 276 . 1 1 38 38 ILE HG21 H 1 1.00 0.01 . 1 . . . . 97 ILE MG . 16892 1 277 . 1 1 38 38 ILE HG22 H 1 1.00 0.01 . 1 . . . . 97 ILE MG . 16892 1 278 . 1 1 38 38 ILE HG23 H 1 1.00 0.01 . 1 . . . . 97 ILE MG . 16892 1 279 . 1 1 39 39 THR H H 1 7.82 0.01 . 1 . . . . 98 THR H . 16892 1 280 . 1 1 39 39 THR HA H 1 4.34 0.01 . 1 . . . . 98 THR HA . 16892 1 281 . 1 1 39 39 THR HB H 1 3.86 0.01 . 1 . . . . 98 THR HB . 16892 1 282 . 1 1 39 39 THR HG21 H 1 1.30 0.01 . 1 . . . . 98 THR MG . 16892 1 283 . 1 1 39 39 THR HG22 H 1 1.30 0.01 . 1 . . . . 98 THR MG . 16892 1 284 . 1 1 39 39 THR HG23 H 1 1.30 0.01 . 1 . . . . 98 THR MG . 16892 1 285 . 1 1 40 40 LYS H H 1 7.90 0.01 . 1 . . . . 99 LYS H . 16892 1 286 . 1 1 40 40 LYS HA H 1 4.43 0.01 . 1 . . . . 99 LYS HA . 16892 1 287 . 1 1 40 40 LYS HB2 H 1 2.01 0.01 . 2 . . . . 99 LYS HB2 . 16892 1 288 . 1 1 40 40 LYS HB3 H 1 1.92 0.01 . 2 . . . . 99 LYS HB3 . 16892 1 289 . 1 1 40 40 LYS HD2 H 1 1.75 0.01 . 1 . . . . 99 LYS HD2 . 16892 1 290 . 1 1 40 40 LYS HD3 H 1 1.75 0.01 . 1 . . . . 99 LYS HD3 . 16892 1 291 . 1 1 40 40 LYS HE2 H 1 3.05 0.01 . 1 . . . . 99 LYS HE2 . 16892 1 292 . 1 1 40 40 LYS HE3 H 1 3.05 0.01 . 1 . . . . 99 LYS HE3 . 16892 1 293 . 1 1 40 40 LYS HG2 H 1 1.53 0.01 . 1 . . . . 99 LYS HG2 . 16892 1 294 . 1 1 40 40 LYS HG3 H 1 1.53 0.01 . 1 . . . . 99 LYS HG3 . 16892 1 295 . 1 1 40 40 LYS HZ1 H 1 7.58 0.01 . 1 . . . . 99 LYS QZ . 16892 1 296 . 1 1 40 40 LYS HZ2 H 1 7.58 0.01 . 1 . . . . 99 LYS QZ . 16892 1 297 . 1 1 40 40 LYS HZ3 H 1 7.58 0.01 . 1 . . . . 99 LYS QZ . 16892 1 stop_ save_