################################### # 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 26334 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $chem_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 '1D 1H' 1 $sample_1 isotropic 26334 1 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 26334 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26334 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 . . 26334 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 1 1 GLY HA2 H 1 4.00 0.01 . 2 . . . . . 1 GLY HA2 . 26334 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.11 0.01 . 2 . . . . . 1 GLY HA3 . 26334 1 3 . 1 . 1 2 2 ILE HA H 1 3.98 0.01 . 1 . . . . . 2 ILE HA . 26334 1 4 . 1 . 1 2 2 ILE HB H 1 1.89 0.01 . 1 . . . . . 2 ILE HB . 26334 1 5 . 1 . 1 2 2 ILE HD11 H 1 1.01 0.01 . 1 . . . . . 2 ILE MD . 26334 1 6 . 1 . 1 2 2 ILE HD12 H 1 1.01 0.01 . 1 . . . . . 2 ILE MD . 26334 1 7 . 1 . 1 2 2 ILE HD13 H 1 1.01 0.01 . 1 . . . . . 2 ILE MD . 26334 1 8 . 1 . 1 2 2 ILE HG12 H 1 1.36 0.01 . 2 . . . . . 2 ILE HG12 . 26334 1 9 . 1 . 1 2 2 ILE HG13 H 1 1.61 0.01 . 2 . . . . . 2 ILE HG13 . 26334 1 10 . 1 . 1 2 2 ILE HG21 H 1 0.98 0.01 . 1 . . . . . 2 ILE MG . 26334 1 11 . 1 . 1 2 2 ILE HG22 H 1 0.98 0.01 . 1 . . . . . 2 ILE MG . 26334 1 12 . 1 . 1 2 2 ILE HG23 H 1 0.98 0.01 . 1 . . . . . 2 ILE MG . 26334 1 13 . 1 . 1 3 3 GLY H H 1 8.92 0.01 . 1 . . . . . 3 GLY H . 26334 1 14 . 1 . 1 3 3 GLY HA2 H 1 3.76 0.01 . 2 . . . . . 3 GLY HA2 . 26334 1 15 . 1 . 1 3 3 GLY HA3 H 1 3.82 0.01 . 2 . . . . . 3 GLY HA3 . 26334 1 16 . 1 . 1 4 4 ALA H H 1 7.88 0.01 . 1 . . . . . 4 ALA H . 26334 1 17 . 1 . 1 4 4 ALA HA H 1 4.12 0.01 . 1 . . . . . 4 ALA HA . 26334 1 18 . 1 . 1 4 4 ALA HB1 H 1 1.54 0.01 . 1 . . . . . 4 ALA MB . 26334 1 19 . 1 . 1 4 4 ALA HB2 H 1 1.54 0.01 . 1 . . . . . 4 ALA MB . 26334 1 20 . 1 . 1 4 4 ALA HB3 H 1 1.54 0.01 . 1 . . . . . 4 ALA MB . 26334 1 21 . 1 . 1 5 5 VAL H H 1 7.68 0.01 . 1 . . . . . 5 VAL H . 26334 1 22 . 1 . 1 5 5 VAL HA H 1 3.58 0.01 . 1 . . . . . 5 VAL HA . 26334 1 23 . 1 . 1 5 5 VAL HB H 1 2.31 0.01 . 1 . . . . . 5 VAL HB . 26334 1 24 . 1 . 1 5 5 VAL HG11 H 1 0.98 0.01 . 2 . . . . . 5 VAL MG1 . 26334 1 25 . 1 . 1 5 5 VAL HG12 H 1 0.98 0.01 . 2 . . . . . 5 VAL MG1 . 26334 1 26 . 1 . 1 5 5 VAL HG13 H 1 0.98 0.01 . 2 . . . . . 5 VAL MG1 . 26334 1 27 . 1 . 1 5 5 VAL HG21 H 1 1.09 0.01 . 2 . . . . . 5 VAL MG2 . 26334 1 28 . 1 . 1 5 5 VAL HG22 H 1 1.09 0.01 . 2 . . . . . 5 VAL MG2 . 26334 1 29 . 1 . 1 5 5 VAL HG23 H 1 1.09 0.01 . 2 . . . . . 5 VAL MG2 . 26334 1 30 . 1 . 1 6 6 LEU H H 1 8.27 0.01 . 1 . . . . . 6 LEU H . 26334 1 31 . 1 . 1 6 6 LEU HA H 1 4.09 0.01 . 1 . . . . . 6 LEU HA . 26334 1 32 . 1 . 1 6 6 LEU HB2 H 1 1.91 0.01 . 1 . . . . . 6 LEU HB2 . 26334 1 33 . 1 . 1 6 6 LEU HB3 H 1 1.91 0.01 . 1 . . . . . 6 LEU HB3 . 26334 1 34 . 1 . 1 6 6 LEU HD11 H 1 0.91 0.01 . 2 . . . . . 6 LEU MD1 . 26334 1 35 . 1 . 1 6 6 LEU HD12 H 1 0.91 0.01 . 2 . . . . . 6 LEU MD1 . 26334 1 36 . 1 . 1 6 6 LEU HD13 H 1 0.91 0.01 . 2 . . . . . 6 LEU MD1 . 26334 1 37 . 1 . 1 6 6 LEU HG H 1 1.59 0.01 . 1 . . . . . 6 LEU HG . 26334 1 38 . 1 . 1 7 7 LYS H H 1 8.13 0.01 . 1 . . . . . 7 LYS H . 26334 1 39 . 1 . 1 7 7 LYS HA H 1 4.08 0.01 . 1 . . . . . 7 LYS HA . 26334 1 40 . 1 . 1 7 7 LYS HB2 H 1 2.02 0.01 . 1 . . . . . 7 LYS HB2 . 26334 1 41 . 1 . 1 7 7 LYS HB3 H 1 2.02 0.01 . 1 . . . . . 7 LYS HB3 . 26334 1 42 . 1 . 1 7 7 LYS HD2 H 1 1.64 0.01 . 1 . . . . . 7 LYS HD2 . 26334 1 43 . 1 . 1 7 7 LYS HD3 H 1 1.64 0.01 . 1 . . . . . 7 LYS HD3 . 26334 1 44 . 1 . 1 7 7 LYS HE2 H 1 2.86 0.01 . 1 . . . . . 7 LYS HE2 . 26334 1 45 . 1 . 1 7 7 LYS HE3 H 1 2.86 0.01 . 1 . . . . . 7 LYS HE3 . 26334 1 46 . 1 . 1 7 7 LYS HG2 H 1 1.47 0.01 . 1 . . . . . 7 LYS HG2 . 26334 1 47 . 1 . 1 7 7 LYS HG3 H 1 1.47 0.01 . 1 . . . . . 7 LYS HG3 . 26334 1 48 . 1 . 1 8 8 VAL H H 1 8.14 0.01 . 1 . . . . . 8 VAL H . 26334 1 49 . 1 . 1 8 8 VAL HA H 1 3.69 0.01 . 1 . . . . . 8 VAL HA . 26334 1 50 . 1 . 1 8 8 VAL HB H 1 2.34 0.01 . 1 . . . . . 8 VAL HB . 26334 1 51 . 1 . 1 8 8 VAL HG11 H 1 1.01 0.01 . 2 . . . . . 8 VAL MG1 . 26334 1 52 . 1 . 1 8 8 VAL HG12 H 1 1.01 0.01 . 2 . . . . . 8 VAL MG1 . 26334 1 53 . 1 . 1 8 8 VAL HG13 H 1 1.01 0.01 . 2 . . . . . 8 VAL MG1 . 26334 1 54 . 1 . 1 8 8 VAL HG21 H 1 1.15 0.01 . 2 . . . . . 8 VAL MG2 . 26334 1 55 . 1 . 1 8 8 VAL HG22 H 1 1.15 0.01 . 2 . . . . . 8 VAL MG2 . 26334 1 56 . 1 . 1 8 8 VAL HG23 H 1 1.15 0.01 . 2 . . . . . 8 VAL MG2 . 26334 1 57 . 1 . 1 9 9 LEU H H 1 8.30 0.01 . 1 . . . . . 9 LEU H . 26334 1 58 . 1 . 1 9 9 LEU HA H 1 4.16 0.01 . 1 . . . . . 9 LEU HA . 26334 1 59 . 1 . 1 9 9 LEU HB2 H 1 1.97 0.01 . 1 . . . . . 9 LEU HB2 . 26334 1 60 . 1 . 1 9 9 LEU HB3 H 1 1.97 0.01 . 1 . . . . . 9 LEU HB3 . 26334 1 61 . 1 . 1 9 9 LEU HD11 H 1 0.91 0.01 . 2 . . . . . 9 LEU MD1 . 26334 1 62 . 1 . 1 9 9 LEU HD12 H 1 0.91 0.01 . 2 . . . . . 9 LEU MD1 . 26334 1 63 . 1 . 1 9 9 LEU HD13 H 1 0.91 0.01 . 2 . . . . . 9 LEU MD1 . 26334 1 64 . 1 . 1 9 9 LEU HD21 H 1 0.91 0.01 . 2 . . . . . 9 LEU MD2 . 26334 1 65 . 1 . 1 9 9 LEU HD22 H 1 0.91 0.01 . 2 . . . . . 9 LEU MD2 . 26334 1 66 . 1 . 1 9 9 LEU HD23 H 1 0.91 0.01 . 2 . . . . . 9 LEU MD2 . 26334 1 67 . 1 . 1 9 9 LEU HG H 1 1.61 0.01 . 1 . . . . . 9 LEU HG . 26334 1 68 . 1 . 1 10 10 THR H H 1 8.10 0.01 . 1 . . . . . 10 THR H . 26334 1 69 . 1 . 1 10 10 THR HA H 1 4.15 0.01 . 1 . . . . . 10 THR HA . 26334 1 70 . 1 . 1 10 10 THR HB H 1 4.33 0.01 . 1 . . . . . 10 THR HB . 26334 1 71 . 1 . 1 10 10 THR HG21 H 1 1.32 0.01 . 1 . . . . . 10 THR MG . 26334 1 72 . 1 . 1 10 10 THR HG22 H 1 1.32 0.01 . 1 . . . . . 10 THR MG . 26334 1 73 . 1 . 1 10 10 THR HG23 H 1 1.32 0.01 . 1 . . . . . 10 THR MG . 26334 1 74 . 1 . 1 11 11 THR H H 1 7.85 0.01 . 1 . . . . . 11 THR H . 26334 1 75 . 1 . 1 11 11 THR HA H 1 4.30 0.01 . 1 . . . . . 11 THR HA . 26334 1 76 . 1 . 1 11 11 THR HB H 1 4.30 0.01 . 1 . . . . . 11 THR HB . 26334 1 77 . 1 . 1 11 11 THR HG21 H 1 1.31 0.01 . 1 . . . . . 11 THR MG . 26334 1 78 . 1 . 1 11 11 THR HG22 H 1 1.31 0.01 . 1 . . . . . 11 THR MG . 26334 1 79 . 1 . 1 11 11 THR HG23 H 1 1.31 0.01 . 1 . . . . . 11 THR MG . 26334 1 80 . 1 . 1 12 12 GLY H H 1 8.18 0.01 . 1 . . . . . 12 GLY H . 26334 1 81 . 1 . 1 12 12 GLY HA2 H 1 3.95 0.01 . 2 . . . . . 12 GLY HA2 . 26334 1 82 . 1 . 1 12 12 GLY HA3 H 1 4.10 0.01 . 2 . . . . . 12 GLY HA3 . 26334 1 83 . 1 . 1 13 13 LEU H H 1 8.26 0.01 . 1 . . . . . 13 LEU H . 26334 1 84 . 1 . 1 13 13 LEU HA H 1 4.41 0.01 . 1 . . . . . 13 LEU HA . 26334 1 85 . 1 . 1 13 13 LEU HB2 H 1 1.81 0.01 . 2 . . . . . 13 LEU HB2 . 26334 1 86 . 1 . 1 13 13 LEU HB3 H 1 1.92 0.01 . 2 . . . . . 13 LEU HB3 . 26334 1 87 . 1 . 1 13 13 LEU HD11 H 1 0.99 0.01 . 2 . . . . . 13 LEU MD1 . 26334 1 88 . 1 . 1 13 13 LEU HD12 H 1 0.99 0.01 . 2 . . . . . 13 LEU MD1 . 26334 1 89 . 1 . 1 13 13 LEU HD13 H 1 0.99 0.01 . 2 . . . . . 13 LEU MD1 . 26334 1 90 . 1 . 1 13 13 LEU HD21 H 1 1.05 0.01 . 2 . . . . . 13 LEU MD2 . 26334 1 91 . 1 . 1 13 13 LEU HD22 H 1 1.05 0.01 . 2 . . . . . 13 LEU MD2 . 26334 1 92 . 1 . 1 13 13 LEU HD23 H 1 1.05 0.01 . 2 . . . . . 13 LEU MD2 . 26334 1 93 . 1 . 1 13 13 LEU HG H 1 1.80 0.01 . 1 . . . . . 13 LEU HG . 26334 1 94 . 1 . 1 14 14 PRO HA H 1 4.24 0.01 . 1 . . . . . 14 PRO HA . 26334 1 95 . 1 . 1 14 14 PRO HB2 H 1 1.94 0.01 . 2 . . . . . 14 PRO HB2 . 26334 1 96 . 1 . 1 14 14 PRO HB3 H 1 2.34 0.01 . 2 . . . . . 14 PRO HB3 . 26334 1 97 . 1 . 1 14 14 PRO HD2 H 1 3.77 0.01 . 1 . . . . . 14 PRO HD2 . 26334 1 98 . 1 . 1 14 14 PRO HD3 H 1 3.77 0.01 . 1 . . . . . 14 PRO HD3 . 26334 1 99 . 1 . 1 14 14 PRO HG2 H 1 1.94 0.01 . 2 . . . . . 14 PRO HG2 . 26334 1 100 . 1 . 1 14 14 PRO HG3 H 1 2.25 0.01 . 2 . . . . . 14 PRO HG3 . 26334 1 101 . 1 . 1 15 15 ALA H H 1 7.49 0.01 . 1 . . . . . 15 ALA H . 26334 1 102 . 1 . 1 15 15 ALA HA H 1 4.15 0.01 . 1 . . . . . 15 ALA HA . 26334 1 103 . 1 . 1 15 15 ALA HB1 H 1 1.56 0.01 . 1 . . . . . 15 ALA MB . 26334 1 104 . 1 . 1 15 15 ALA HB2 H 1 1.56 0.01 . 1 . . . . . 15 ALA MB . 26334 1 105 . 1 . 1 15 15 ALA HB3 H 1 1.56 0.01 . 1 . . . . . 15 ALA MB . 26334 1 106 . 1 . 1 16 16 LEU H H 1 8.07 0.01 . 1 . . . . . 16 LEU H . 26334 1 107 . 1 . 1 16 16 LEU HA H 1 4.24 0.01 . 1 . . . . . 16 LEU HA . 26334 1 108 . 1 . 1 16 16 LEU HB2 H 1 1.78 0.01 . 2 . . . . . 16 LEU HB2 . 26334 1 109 . 1 . 1 16 16 LEU HB3 H 1 2.01 0.01 . 2 . . . . . 16 LEU HB3 . 26334 1 110 . 1 . 1 16 16 LEU HD11 H 1 0.94 0.01 . 2 . . . . . 16 LEU MD1 . 26334 1 111 . 1 . 1 16 16 LEU HD12 H 1 0.94 0.01 . 2 . . . . . 16 LEU MD1 . 26334 1 112 . 1 . 1 16 16 LEU HD13 H 1 0.94 0.01 . 2 . . . . . 16 LEU MD1 . 26334 1 113 . 1 . 1 16 16 LEU HD21 H 1 1.02 0.01 . 2 . . . . . 16 LEU MD2 . 26334 1 114 . 1 . 1 16 16 LEU HD22 H 1 1.02 0.01 . 2 . . . . . 16 LEU MD2 . 26334 1 115 . 1 . 1 16 16 LEU HD23 H 1 1.02 0.01 . 2 . . . . . 16 LEU MD2 . 26334 1 116 . 1 . 1 17 17 ILE H H 1 8.49 0.01 . 1 . . . . . 17 ILE H . 26334 1 117 . 1 . 1 17 17 ILE HA H 1 3.73 0.01 . 1 . . . . . 17 ILE HA . 26334 1 118 . 1 . 1 17 17 ILE HB H 1 2.05 0.01 . 1 . . . . . 17 ILE HB . 26334 1 119 . 1 . 1 17 17 ILE HD11 H 1 0.96 0.01 . 1 . . . . . 17 ILE MD . 26334 1 120 . 1 . 1 17 17 ILE HD12 H 1 0.96 0.01 . 1 . . . . . 17 ILE MD . 26334 1 121 . 1 . 1 17 17 ILE HD13 H 1 0.96 0.01 . 1 . . . . . 17 ILE MD . 26334 1 122 . 1 . 1 17 17 ILE HG12 H 1 1.30 0.01 . 2 . . . . . 17 ILE HG12 . 26334 1 123 . 1 . 1 17 17 ILE HG13 H 1 1.76 0.01 . 2 . . . . . 17 ILE HG13 . 26334 1 124 . 1 . 1 17 17 ILE HG21 H 1 0.87 0.01 . 1 . . . . . 17 ILE MG . 26334 1 125 . 1 . 1 17 17 ILE HG22 H 1 0.87 0.01 . 1 . . . . . 17 ILE MG . 26334 1 126 . 1 . 1 17 17 ILE HG23 H 1 0.87 0.01 . 1 . . . . . 17 ILE MG . 26334 1 127 . 1 . 1 18 18 SER H H 1 8.18 0.01 . 1 . . . . . 18 SER H . 26334 1 128 . 1 . 1 18 18 SER HA H 1 4.10 0.01 . 1 . . . . . 18 SER HA . 26334 1 129 . 1 . 1 18 18 SER HB2 H 1 4.00 0.01 . 1 . . . . . 18 SER HB2 . 26334 1 130 . 1 . 1 18 18 SER HB3 H 1 4.00 0.01 . 1 . . . . . 18 SER HB3 . 26334 1 131 . 1 . 1 19 19 TRP H H 1 8.35 0.01 . 1 . . . . . 19 TRP H . 26334 1 132 . 1 . 1 19 19 TRP HA H 1 4.32 0.01 . 1 . . . . . 19 TRP HA . 26334 1 133 . 1 . 1 19 19 TRP HB2 H 1 3.44 0.01 . 2 . . . . . 19 TRP HB2 . 26334 1 134 . 1 . 1 19 19 TRP HB3 H 1 3.57 0.01 . 2 . . . . . 19 TRP HB3 . 26334 1 135 . 1 . 1 19 19 TRP HD1 H 1 7.14 0.01 . 1 . . . . . 19 TRP HD1 . 26334 1 136 . 1 . 1 19 19 TRP HE1 H 1 10.37 0.01 . 1 . . . . . 19 TRP HE1 . 26334 1 137 . 1 . 1 19 19 TRP HE3 H 1 7.56 0.01 . 1 . . . . . 19 TRP HE3 . 26334 1 138 . 1 . 1 19 19 TRP HH2 H 1 7.10 0.01 . 1 . . . . . 19 TRP HH2 . 26334 1 139 . 1 . 1 19 19 TRP HZ2 H 1 7.36 0.01 . 1 . . . . . 19 TRP HZ2 . 26334 1 140 . 1 . 1 19 19 TRP HZ3 H 1 6.98 0.01 . 1 . . . . . 19 TRP HZ3 . 26334 1 141 . 1 . 1 20 20 ILE H H 1 8.52 0.01 . 1 . . . . . 20 ILE H . 26334 1 142 . 1 . 1 20 20 ILE HA H 1 3.50 0.01 . 1 . . . . . 20 ILE HA . 26334 1 143 . 1 . 1 20 20 ILE HB H 1 2.09 0.01 . 1 . . . . . 20 ILE HB . 26334 1 144 . 1 . 1 20 20 ILE HG12 H 1 1.23 0.01 . 2 . . . . . 20 ILE HG12 . 26334 1 145 . 1 . 1 20 20 ILE HG13 H 1 2.10 0.01 . 2 . . . . . 20 ILE HG13 . 26334 1 146 . 1 . 1 20 20 ILE HG21 H 1 0.94 0.01 . 1 . . . . . 20 ILE MG . 26334 1 147 . 1 . 1 20 20 ILE HG22 H 1 0.94 0.01 . 1 . . . . . 20 ILE MG . 26334 1 148 . 1 . 1 20 20 ILE HG23 H 1 0.94 0.01 . 1 . . . . . 20 ILE MG . 26334 1 149 . 1 . 1 21 21 LYS H H 1 8.40 0.01 . 1 . . . . . 21 LYS H . 26334 1 150 . 1 . 1 21 21 LYS HA H 1 3.88 0.01 . 1 . . . . . 21 LYS HA . 26334 1 151 . 1 . 1 21 21 LYS HB2 H 1 1.92 0.01 . 2 . . . . . 21 LYS HB2 . 26334 1 152 . 1 . 1 21 21 LYS HB3 H 1 1.99 0.01 . 2 . . . . . 21 LYS HB3 . 26334 1 153 . 1 . 1 21 21 LYS HD2 H 1 1.63 0.01 . 2 . . . . . 21 LYS HD2 . 26334 1 154 . 1 . 1 21 21 LYS HD3 H 1 1.68 0.01 . 2 . . . . . 21 LYS HD3 . 26334 1 155 . 1 . 1 21 21 LYS HE2 H 1 2.83 0.01 . 1 . . . . . 21 LYS HE2 . 26334 1 156 . 1 . 1 21 21 LYS HE3 H 1 2.83 0.01 . 1 . . . . . 21 LYS HE3 . 26334 1 157 . 1 . 1 21 21 LYS HG2 H 1 1.42 0.01 . 1 . . . . . 21 LYS HG2 . 26334 1 158 . 1 . 1 21 21 LYS HG3 H 1 1.42 0.01 . 1 . . . . . 21 LYS HG3 . 26334 1 159 . 1 . 1 22 22 ARG H H 1 8.22 0.01 . 1 . . . . . 22 ARG H . 26334 1 160 . 1 . 1 22 22 ARG HA H 1 4.05 0.01 . 1 . . . . . 22 ARG HA . 26334 1 161 . 1 . 1 22 22 ARG HB2 H 1 1.87 0.01 . 2 . . . . . 22 ARG HB2 . 26334 1 162 . 1 . 1 22 22 ARG HB3 H 1 1.95 0.01 . 2 . . . . . 22 ARG HB3 . 26334 1 163 . 1 . 1 22 22 ARG HD2 H 1 3.12 0.01 . 1 . . . . . 22 ARG HD2 . 26334 1 164 . 1 . 1 22 22 ARG HD3 H 1 3.12 0.01 . 1 . . . . . 22 ARG HD3 . 26334 1 165 . 1 . 1 22 22 ARG HG2 H 1 1.65 0.01 . 2 . . . . . 22 ARG HG2 . 26334 1 166 . 1 . 1 22 22 ARG HG3 H 1 1.77 0.01 . 2 . . . . . 22 ARG HG3 . 26334 1 167 . 1 . 1 23 23 LYS H H 1 8.30 0.01 . 1 . . . . . 23 LYS H . 26334 1 168 . 1 . 1 23 23 LYS HA H 1 3.94 0.01 . 1 . . . . . 23 LYS HA . 26334 1 169 . 1 . 1 23 23 LYS HB2 H 1 1.64 0.01 . 1 . . . . . 23 LYS HB2 . 26334 1 170 . 1 . 1 23 23 LYS HB3 H 1 1.64 0.01 . 1 . . . . . 23 LYS HB3 . 26334 1 171 . 1 . 1 23 23 LYS HD2 H 1 1.42 0.01 . 2 . . . . . 23 LYS HD2 . 26334 1 172 . 1 . 1 23 23 LYS HD3 H 1 1.63 0.01 . 2 . . . . . 23 LYS HD3 . 26334 1 173 . 1 . 1 23 23 LYS HE2 H 1 2.61 0.01 . 2 . . . . . 23 LYS HE2 . 26334 1 174 . 1 . 1 23 23 LYS HE3 H 1 2.69 0.01 . 2 . . . . . 23 LYS HE3 . 26334 1 175 . 1 . 1 23 23 LYS HG2 H 1 1.14 0.01 . 1 . . . . . 23 LYS HG2 . 26334 1 176 . 1 . 1 23 23 LYS HG3 H 1 1.14 0.01 . 1 . . . . . 23 LYS HG3 . 26334 1 177 . 1 . 1 24 24 ARG H H 1 8.15 0.01 . 1 . . . . . 24 ARG H . 26334 1 178 . 1 . 1 24 24 ARG HA H 1 4.07 0.01 . 1 . . . . . 24 ARG HA . 26334 1 179 . 1 . 1 24 24 ARG HB2 H 1 1.86 0.01 . 2 . . . . . 24 ARG HB2 . 26334 1 180 . 1 . 1 24 24 ARG HB3 H 1 1.96 0.01 . 2 . . . . . 24 ARG HB3 . 26334 1 181 . 1 . 1 24 24 ARG HD2 H 1 3.18 0.01 . 1 . . . . . 24 ARG HD2 . 26334 1 182 . 1 . 1 24 24 ARG HD3 H 1 3.18 0.01 . 1 . . . . . 24 ARG HD3 . 26334 1 183 . 1 . 1 24 24 ARG HG2 H 1 1.68 0.01 . 1 . . . . . 24 ARG HG2 . 26334 1 184 . 1 . 1 24 24 ARG HG3 H 1 1.68 0.01 . 1 . . . . . 24 ARG HG3 . 26334 1 185 . 1 . 1 25 25 GLN H H 1 7.92 0.01 . 1 . . . . . 25 GLN H . 26334 1 186 . 1 . 1 25 25 GLN HA H 1 4.12 0.01 . 1 . . . . . 25 GLN HA . 26334 1 187 . 1 . 1 25 25 GLN HB2 H 1 2.15 0.01 . 1 . . . . . 25 GLN HB2 . 26334 1 188 . 1 . 1 25 25 GLN HB3 H 1 2.15 0.01 . 1 . . . . . 25 GLN HB3 . 26334 1 189 . 1 . 1 25 25 GLN HG2 H 1 2.31 0.01 . 2 . . . . . 25 GLN HG2 . 26334 1 190 . 1 . 1 25 25 GLN HG3 H 1 2.57 0.01 . 2 . . . . . 25 GLN HG3 . 26334 1 191 . 1 . 1 26 26 GLN H H 1 7.75 0.01 . 1 . . . . . 26 GLN H . 26334 1 192 . 1 . 1 26 26 GLN HA H 1 4.20 0.01 . 1 . . . . . 26 GLN HA . 26334 1 193 . 1 . 1 26 26 GLN HB2 H 1 2.15 0.01 . 1 . . . . . 26 GLN HB2 . 26334 1 194 . 1 . 1 26 26 GLN HB3 H 1 2.15 0.01 . 1 . . . . . 26 GLN HB3 . 26334 1 195 . 1 . 1 26 26 GLN HG2 H 1 2.33 0.01 . 2 . . . . . 26 GLN HG2 . 26334 1 196 . 1 . 1 26 26 GLN HG3 H 1 2.54 0.01 . 2 . . . . . 26 GLN HG3 . 26334 1 stop_ save_