################################### # 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 36684 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.04 _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 TOCSY' 1 $sample_1 isotropic 36684 1 2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36684 1 3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36684 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 PHE H H 1 8.162 0.004 . 1 . . . . A 1 PHE H1 . 36684 1 2 . 1 . 1 1 1 PHE HA H 1 4.627 0 . 1 . . . . A 1 PHE HA . 36684 1 3 . 1 . 1 1 1 PHE HB2 H 1 3.329 0 . 2 . . . . A 1 PHE HB2 . 36684 1 4 . 1 . 1 1 1 PHE HB3 H 1 3.014 0 . 2 . . . . A 1 PHE HB3 . 36684 1 5 . 1 . 1 2 2 LEU H H 1 8.16 0.002 . 1 . . . . A 2 LEU H . 36684 1 6 . 1 . 1 2 2 LEU HA H 1 4.238 0 . 1 . . . . A 2 LEU HA . 36684 1 7 . 1 . 1 2 2 LEU HB2 H 1 1.838 0 . 2 . . . . A 2 LEU HB2 . 36684 1 8 . 1 . 1 2 2 LEU HB3 H 1 1.838 0 . 2 . . . . A 2 LEU HB3 . 36684 1 9 . 1 . 1 2 2 LEU HG H 1 1.678 0 . 1 . . . . A 2 LEU HG . 36684 1 10 . 1 . 1 2 2 LEU HD11 H 1 0.912 0 . 2 . . . . A 2 LEU HD11 . 36684 1 11 . 1 . 1 2 2 LEU HD12 H 1 0.912 0 . 2 . . . . A 2 LEU HD12 . 36684 1 12 . 1 . 1 2 2 LEU HD13 H 1 0.912 0 . 2 . . . . A 2 LEU HD13 . 36684 1 13 . 1 . 1 2 2 LEU HD21 H 1 0.912 0 . 2 . . . . A 2 LEU HD21 . 36684 1 14 . 1 . 1 2 2 LEU HD22 H 1 0.912 0 . 2 . . . . A 2 LEU HD22 . 36684 1 15 . 1 . 1 2 2 LEU HD23 H 1 0.912 0 . 2 . . . . A 2 LEU HD23 . 36684 1 16 . 1 . 1 3 3 DLY H H 1 8.393 0 . 1 . . . . A 3 DLY H . 36684 1 17 . 1 . 1 3 3 DLY HA H 1 4.058 0 . 1 . . . . A 3 DLY HA . 36684 1 18 . 1 . 1 3 3 DLY HB2 H 1 1.974 0 . 2 . . . . A 3 DLY HB2 . 36684 1 19 . 1 . 1 3 3 DLY HB3 H 1 1.974 0 . 2 . . . . A 3 DLY HB3 . 36684 1 20 . 1 . 1 3 3 DLY HD2 H 1 1.687 0 . 2 . . . . A 3 DLY HD2 . 36684 1 21 . 1 . 1 3 3 DLY HD3 H 1 1.687 0 . 2 . . . . A 3 DLY HD3 . 36684 1 22 . 1 . 1 3 3 DLY HE2 H 1 3.23 0 . 2 . . . . A 3 DLY HE2 . 36684 1 23 . 1 . 1 3 3 DLY HE3 H 1 3.23 0 . 2 . . . . A 3 DLY HE3 . 36684 1 24 . 1 . 1 4 4 LYS H H 1 8.053 0.003 . 1 . . . . A 4 LYS H . 36684 1 25 . 1 . 1 4 4 LYS HA H 1 4.175 0 . 1 . . . . A 4 LYS HA . 36684 1 26 . 1 . 1 4 4 LYS HB2 H 1 1.929 0 . 2 . . . . A 4 LYS HB2 . 36684 1 27 . 1 . 1 4 4 LYS HB3 H 1 1.851 0 . 2 . . . . A 4 LYS HB3 . 36684 1 28 . 1 . 1 4 4 LYS HG2 H 1 1.75 0 . 2 . . . . A 4 LYS HG2 . 36684 1 29 . 1 . 1 4 4 LYS HG3 H 1 1.75 0 . 2 . . . . A 4 LYS HG3 . 36684 1 30 . 1 . 1 4 4 LYS HE2 H 1 3.007 0 . 2 . . . . A 4 LYS HE2 . 36684 1 31 . 1 . 1 4 4 LYS HE3 H 1 3.007 0 . 2 . . . . A 4 LYS HE3 . 36684 1 32 . 1 . 1 5 5 LEU H H 1 7.876 0.003 . 1 . . . . A 5 LEU H . 36684 1 33 . 1 . 1 5 5 LEU HA H 1 4.128 0 . 1 . . . . A 5 LEU HA . 36684 1 34 . 1 . 1 5 5 LEU HB2 H 1 1.735 0 . 2 . . . . A 5 LEU HB2 . 36684 1 35 . 1 . 1 5 5 LEU HB3 H 1 1.735 0 . 2 . . . . A 5 LEU HB3 . 36684 1 36 . 1 . 1 5 5 LEU HG H 1 1.668 0 . 1 . . . . A 5 LEU HG . 36684 1 37 . 1 . 1 5 5 LEU HD11 H 1 0.907 0 . 2 . . . . A 5 LEU HD11 . 36684 1 38 . 1 . 1 5 5 LEU HD12 H 1 0.907 0 . 2 . . . . A 5 LEU HD12 . 36684 1 39 . 1 . 1 5 5 LEU HD13 H 1 0.907 0 . 2 . . . . A 5 LEU HD13 . 36684 1 40 . 1 . 1 5 5 LEU HD21 H 1 0.907 0 . 2 . . . . A 5 LEU HD21 . 36684 1 41 . 1 . 1 5 5 LEU HD22 H 1 0.907 0 . 2 . . . . A 5 LEU HD22 . 36684 1 42 . 1 . 1 5 5 LEU HD23 H 1 0.907 0 . 2 . . . . A 5 LEU HD23 . 36684 1 43 . 1 . 1 6 6 DLE H H 1 8.514 0 . 1 . . . . A 6 DLE H . 36684 1 44 . 1 . 1 6 6 DLE HA H 1 3.978 0 . 1 . . . . A 6 DLE HA . 36684 1 45 . 1 . 1 6 6 DLE HB2 H 1 1.863 0 . 2 . . . . A 6 DLE HB2 . 36684 1 46 . 1 . 1 6 6 DLE HB3 H 1 1.863 0 . 2 . . . . A 6 DLE HB3 . 36684 1 47 . 1 . 1 6 6 DLE HD11 H 1 0.864 0 . 2 . . . . A 6 DLE HD11 . 36684 1 48 . 1 . 1 6 6 DLE HD12 H 1 0.864 0 . 2 . . . . A 6 DLE HD12 . 36684 1 49 . 1 . 1 6 6 DLE HD13 H 1 0.864 0 . 2 . . . . A 6 DLE HD13 . 36684 1 50 . 1 . 1 6 6 DLE HD21 H 1 0.864 0 . 2 . . . . A 6 DLE HD21 . 36684 1 51 . 1 . 1 6 6 DLE HD22 H 1 0.864 0 . 2 . . . . A 6 DLE HD22 . 36684 1 52 . 1 . 1 6 6 DLE HD23 H 1 0.864 0 . 2 . . . . A 6 DLE HD23 . 36684 1 53 . 1 . 1 6 6 DLE HG H 1 1.554 0 . 1 . . . . A 6 DLE HG . 36684 1 54 . 1 . 1 7 7 LYS H H 1 7.932 0.001 . 1 . . . . A 7 LYS H . 36684 1 55 . 1 . 1 7 7 LYS HA H 1 4.163 0 . 1 . . . . A 7 LYS HA . 36684 1 56 . 1 . 1 7 7 LYS HB2 H 1 1.908 0 . 2 . . . . A 7 LYS HB2 . 36684 1 57 . 1 . 1 7 7 LYS HB3 H 1 1.752 0 . 2 . . . . A 7 LYS HB3 . 36684 1 58 . 1 . 1 7 7 LYS HG2 H 1 1.613 0 . 2 . . . . A 7 LYS HG2 . 36684 1 59 . 1 . 1 7 7 LYS HG3 H 1 1.613 0 . 2 . . . . A 7 LYS HG3 . 36684 1 60 . 1 . 1 7 7 LYS HE2 H 1 2.987 0 . 2 . . . . A 7 LYS HE2 . 36684 1 61 . 1 . 1 7 7 LYS HE3 H 1 2.987 0 . 2 . . . . A 7 LYS HE3 . 36684 1 62 . 1 . 1 8 8 ALA H H 1 8.035 0.003 . 1 . . . . A 8 ALA H . 36684 1 63 . 1 . 1 8 8 ALA HA H 1 4.173 0 . 1 . . . . A 8 ALA HA . 36684 1 64 . 1 . 1 8 8 ALA HB1 H 1 1.479 0 . 1 . . . . A 8 ALA HB1 . 36684 1 65 . 1 . 1 8 8 ALA HB2 H 1 1.479 0 . 1 . . . . A 8 ALA HB2 . 36684 1 66 . 1 . 1 8 8 ALA HB3 H 1 1.479 0 . 1 . . . . A 8 ALA HB3 . 36684 1 67 . 1 . 1 9 9 DLE H H 1 8.316 0.001 . 1 . . . . A 9 DLE H . 36684 1 68 . 1 . 1 9 9 DLE HA H 1 4.013 0 . 1 . . . . A 9 DLE HA . 36684 1 69 . 1 . 1 9 9 DLE HB2 H 1 1.771 0 . 2 . . . . A 9 DLE HB2 . 36684 1 70 . 1 . 1 9 9 DLE HB3 H 1 1.771 0 . 2 . . . . A 9 DLE HB3 . 36684 1 71 . 1 . 1 9 9 DLE HD11 H 1 0.812 0 . 2 . . . . A 9 DLE HD11 . 36684 1 72 . 1 . 1 9 9 DLE HD12 H 1 0.812 0 . 2 . . . . A 9 DLE HD12 . 36684 1 73 . 1 . 1 9 9 DLE HD13 H 1 0.812 0 . 2 . . . . A 9 DLE HD13 . 36684 1 74 . 1 . 1 9 9 DLE HD21 H 1 0.812 0 . 2 . . . . A 9 DLE HD21 . 36684 1 75 . 1 . 1 9 9 DLE HD22 H 1 0.812 0 . 2 . . . . A 9 DLE HD22 . 36684 1 76 . 1 . 1 9 9 DLE HD23 H 1 0.812 0 . 2 . . . . A 9 DLE HD23 . 36684 1 77 . 1 . 1 9 9 DLE HG H 1 1.45 0 . 1 . . . . A 9 DLE HG . 36684 1 78 . 1 . 1 10 10 PHE H H 1 8.192 0.001 . 1 . . . . A 10 PHE H . 36684 1 79 . 1 . 1 10 10 PHE HA H 1 4.614 0 . 1 . . . . A 10 PHE HA . 36684 1 80 . 1 . 1 10 10 PHE HB2 H 1 3.349 0 . 2 . . . . A 10 PHE HB2 . 36684 1 81 . 1 . 1 10 10 PHE HB3 H 1 3.047 0 . 2 . . . . A 10 PHE HB3 . 36684 1 82 . 1 . 1 11 11 SER H H 1 8.179 0 . 1 . . . . A 11 SER H . 36684 1 83 . 1 . 1 11 11 SER HA H 1 4.494 0.001 . 1 . . . . A 11 SER HA . 36684 1 84 . 1 . 1 11 11 SER HB2 H 1 4.001 0 . 2 . . . . A 11 SER HB2 . 36684 1 85 . 1 . 1 11 11 SER HB3 H 1 4.001 0 . 2 . . . . A 11 SER HB3 . 36684 1 86 . 1 . 1 12 12 DAL H H 1 7.905 0.004 . 1 . . . . A 12 DAL H . 36684 1 87 . 1 . 1 12 12 DAL HA H 1 4.469 0.002 . 1 . . . . A 12 DAL HA . 36684 1 88 . 1 . 1 12 12 DAL HB1 H 1 1.422 0.001 . 1 . . . . A 12 DAL HB1 . 36684 1 89 . 1 . 1 12 12 DAL HB2 H 1 1.422 0.001 . 1 . . . . A 12 DAL HB2 . 36684 1 90 . 1 . 1 12 12 DAL HB3 H 1 1.422 0.001 . 1 . . . . A 12 DAL HB3 . 36684 1 91 . 1 . 1 13 13 PRO HA H 1 4.36 0.001 . 1 . . . . A 13 PRO HA . 36684 1 92 . 1 . 1 13 13 PRO HB2 H 1 2.34 0 . 2 . . . . A 13 PRO HB2 . 36684 1 93 . 1 . 1 13 13 PRO HB3 H 1 2.04 0 . 2 . . . . A 13 PRO HB3 . 36684 1 94 . 1 . 1 13 13 PRO HG2 H 1 2.118 0 . 2 . . . . A 13 PRO HG2 . 36684 1 95 . 1 . 1 13 13 PRO HG3 H 1 2.118 0 . 2 . . . . A 13 PRO HG3 . 36684 1 96 . 1 . 1 13 13 PRO HD2 H 1 3.652 0 . 2 . . . . A 13 PRO HD2 . 36684 1 97 . 1 . 1 13 13 PRO HD3 H 1 3.652 0 . 2 . . . . A 13 PRO HD3 . 36684 1 98 . 1 . 1 14 14 LYS H H 1 7.851 0.001 . 1 . . . . A 14 LYS H . 36684 1 99 . 1 . 1 14 14 LYS HA H 1 4.111 0 . 1 . . . . A 14 LYS HA . 36684 1 100 . 1 . 1 14 14 LYS HB2 H 1 1.922 0 . 2 . . . . A 14 LYS HB2 . 36684 1 101 . 1 . 1 14 14 LYS HB3 H 1 1.922 0 . 2 . . . . A 14 LYS HB3 . 36684 1 102 . 1 . 1 14 14 LYS HG2 H 1 1.597 0 . 2 . . . . A 14 LYS HG2 . 36684 1 103 . 1 . 1 14 14 LYS HG3 H 1 1.597 0 . 2 . . . . A 14 LYS HG3 . 36684 1 104 . 1 . 1 14 14 LYS HD2 H 1 1.778 0 . 2 . . . . A 14 LYS HD2 . 36684 1 105 . 1 . 1 14 14 LYS HD3 H 1 1.778 0 . 2 . . . . A 14 LYS HD3 . 36684 1 106 . 1 . 1 14 14 LYS HE2 H 1 3.041 0 . 2 . . . . A 14 LYS HE2 . 36684 1 107 . 1 . 1 14 14 LYS HE3 H 1 3.041 0 . 2 . . . . A 14 LYS HE3 . 36684 1 108 . 1 . 1 15 15 DAL H H 1 7.892 0.001 . 1 . . . . A 15 DAL H . 36684 1 109 . 1 . 1 15 15 DAL HA H 1 4.152 0 . 1 . . . . A 15 DAL HA . 36684 1 110 . 1 . 1 15 15 DAL HB1 H 1 1.462 0 . 4 1 . . . A 15 DAL HB1 . 36684 1 111 . 1 . 1 15 15 DAL HB2 H 1 1.462 0 . 1 . . . . A 15 DAL HB2 . 36684 1 112 . 1 . 1 15 15 DAL HB3 H 1 1.462 0 . 1 . . . . A 15 DAL HB3 . 36684 1 113 . 1 . 1 16 16 LEU H H 1 7.988 0.003 . 1 . . . . A 16 LEU H . 36684 1 114 . 1 . 1 16 16 LEU HA H 1 4.236 0 . 1 . . . . A 16 LEU HA . 36684 1 115 . 1 . 1 16 16 LEU HB2 H 1 1.689 0 . 2 . . . . A 16 LEU HB2 . 36684 1 116 . 1 . 1 16 16 LEU HB3 H 1 1.689 0 . 2 . . . . A 16 LEU HB3 . 36684 1 117 . 1 . 1 16 16 LEU HG H 1 1.4 0 . 1 . . . . A 16 LEU HG . 36684 1 118 . 1 . 1 16 16 LEU HD11 H 1 0.894 0 . 2 . . . . A 16 LEU HD11 . 36684 1 119 . 1 . 1 16 16 LEU HD12 H 1 0.894 0 . 2 . . . . A 16 LEU HD12 . 36684 1 120 . 1 . 1 16 16 LEU HD13 H 1 0.894 0 . 2 . . . . A 16 LEU HD13 . 36684 1 121 . 1 . 1 16 16 LEU HD21 H 1 0.894 0 . 2 . . . . A 16 LEU HD21 . 36684 1 122 . 1 . 1 16 16 LEU HD22 H 1 0.894 0 . 2 . . . . A 16 LEU HD22 . 36684 1 123 . 1 . 1 16 16 LEU HD23 H 1 0.894 0 . 2 . . . . A 16 LEU HD23 . 36684 1 124 . 1 . 1 17 17 LYS H H 1 8.054 0.003 . 1 . . . . A 17 LYS H . 36684 1 125 . 1 . 1 17 17 LYS HA H 1 4.026 0 . 1 . . . . A 17 LYS HA . 36684 1 126 . 1 . 1 17 17 LYS HB2 H 1 1.934 0 . 2 . . . . A 17 LYS HB2 . 36684 1 127 . 1 . 1 17 17 LYS HB3 H 1 1.858 0 . 2 . . . . A 17 LYS HB3 . 36684 1 128 . 1 . 1 17 17 LYS HG2 H 1 1.445 0 . 2 . . . . A 17 LYS HG2 . 36684 1 129 . 1 . 1 17 17 LYS HG3 H 1 1.445 0 . 2 . . . . A 17 LYS HG3 . 36684 1 130 . 1 . 1 17 17 LYS HD2 H 1 1.752 0 . 2 . . . . A 17 LYS HD2 . 36684 1 131 . 1 . 1 17 17 LYS HD3 H 1 1.752 0 . 2 . . . . A 17 LYS HD3 . 36684 1 132 . 1 . 1 17 17 LYS HE2 H 1 3.007 0 . 2 . . . . A 17 LYS HE2 . 36684 1 133 . 1 . 1 17 17 LYS HE3 H 1 3.007 0 . 2 . . . . A 17 LYS HE3 . 36684 1 134 . 1 . 1 18 18 DAR H H 1 8.469 0.002 . 1 . . . . A 18 DAR H . 36684 1 135 . 1 . 1 18 18 DAR HA H 1 4.064 0 . 1 . . . . A 18 DAR HA . 36684 1 136 . 1 . 1 18 18 DAR HB2 H 1 1.92 0 . 2 . . . . A 18 DAR HB2 . 36684 1 137 . 1 . 1 18 18 DAR HB3 H 1 1.712 0 . 2 . . . . A 18 DAR HB3 . 36684 1 138 . 1 . 1 18 18 DAR HD2 H 1 3.244 0 . 2 . . . . A 18 DAR HD2 . 36684 1 139 . 1 . 1 18 18 DAR HD3 H 1 3.244 0 . 2 . . . . A 18 DAR HD3 . 36684 1 140 . 1 . 1 18 18 DAR HG2 H 1 1.431 0 . 2 . . . . A 18 DAR HG2 . 36684 1 141 . 1 . 1 18 18 DAR HG3 H 1 1.431 0 . 2 . . . . A 18 DAR HG3 . 36684 1 142 . 1 . 1 19 19 LEU H H 1 7.882 0.004 . 1 . . . . A 19 LEU H . 36684 1 143 . 1 . 1 19 19 LEU HA H 1 4.128 0 . 1 . . . . A 19 LEU HA . 36684 1 144 . 1 . 1 19 19 LEU HB2 H 1 1.731 0 . 2 . . . . A 19 LEU HB2 . 36684 1 145 . 1 . 1 19 19 LEU HB3 H 1 1.672 0 . 2 . . . . A 19 LEU HB3 . 36684 1 146 . 1 . 1 19 19 LEU HD11 H 1 0.911 0 . 2 . . . . A 19 LEU HD11 . 36684 1 147 . 1 . 1 19 19 LEU HD12 H 1 0.911 0 . 2 . . . . A 19 LEU HD12 . 36684 1 148 . 1 . 1 19 19 LEU HD13 H 1 0.911 0 . 2 . . . . A 19 LEU HD13 . 36684 1 149 . 1 . 1 19 19 LEU HD21 H 1 0.911 0 . 2 . . . . A 19 LEU HD21 . 36684 1 150 . 1 . 1 19 19 LEU HD22 H 1 0.911 0 . 2 . . . . A 19 LEU HD22 . 36684 1 151 . 1 . 1 19 19 LEU HD23 H 1 0.911 0 . 2 . . . . A 19 LEU HD23 . 36684 1 152 . 1 . 1 20 20 LEU H H 1 8.088 0.002 . 1 . . . . A 20 LEU H . 36684 1 153 . 1 . 1 20 20 LEU HA H 1 4.29 0 . 1 . . . . A 20 LEU HA . 36684 1 154 . 1 . 1 20 20 LEU HB2 H 1 1.808 0 . 2 . . . . A 20 LEU HB2 . 36684 1 155 . 1 . 1 20 20 LEU HB3 H 1 1.808 0 . 2 . . . . A 20 LEU HB3 . 36684 1 156 . 1 . 1 20 20 LEU HG H 1 1.589 0 . 1 . . . . A 20 LEU HG . 36684 1 157 . 1 . 1 20 20 LEU HD11 H 1 0.898 0 . 2 . . . . A 20 LEU HD11 . 36684 1 158 . 1 . 1 20 20 LEU HD12 H 1 0.898 0 . 2 . . . . A 20 LEU HD12 . 36684 1 159 . 1 . 1 20 20 LEU HD13 H 1 0.898 0 . 2 . . . . A 20 LEU HD13 . 36684 1 160 . 1 . 1 20 20 LEU HD21 H 1 0.898 0 . 2 . . . . A 20 LEU HD21 . 36684 1 161 . 1 . 1 20 20 LEU HD22 H 1 0.898 0 . 2 . . . . A 20 LEU HD22 . 36684 1 162 . 1 . 1 20 20 LEU HD23 H 1 0.898 0 . 2 . . . . A 20 LEU HD23 . 36684 1 163 . 1 . 1 21 21 DAR H H 1 8.126 0 . 1 . . . . A 21 DAR H . 36684 1 164 . 1 . 1 21 21 DAR HA H 1 4.225 0 . 1 . . . . A 21 DAR HA . 36684 1 165 . 1 . 1 21 21 DAR HB2 H 1 1.957 0 . 2 . . . . A 21 DAR HB2 . 36684 1 166 . 1 . 1 21 21 DAR HB3 H 1 1.957 0 . 2 . . . . A 21 DAR HB3 . 36684 1 167 . 1 . 1 21 21 DAR HD2 H 1 3.257 0 . 2 . . . . A 21 DAR HD2 . 36684 1 168 . 1 . 1 21 21 DAR HD3 H 1 3.257 0 . 2 . . . . A 21 DAR HD3 . 36684 1 169 . 1 . 1 21 21 DAR HG2 H 1 1.664 0 . 2 . . . . A 21 DAR HG2 . 36684 1 170 . 1 . 1 21 21 DAR HG3 H 1 1.664 0 . 2 . . . . A 21 DAR HG3 . 36684 1 171 . 1 . 1 22 22 ARG H H 1 8.47 0.004 . 1 . . . . A 22 ARG H . 36684 1 172 . 1 . 1 22 22 ARG HA H 1 4.386 0 . 1 . . . . A 22 ARG HA . 36684 1 173 . 1 . 1 22 22 ARG HB2 H 1 1.927 0 . 2 . . . . A 22 ARG HB2 . 36684 1 174 . 1 . 1 22 22 ARG HB3 H 1 1.721 0 . 2 . . . . A 22 ARG HB3 . 36684 1 175 . 1 . 1 22 22 ARG HG2 H 1 1.432 0 . 2 . . . . A 22 ARG HG2 . 36684 1 176 . 1 . 1 22 22 ARG HG3 H 1 1.432 0 . 2 . . . . A 22 ARG HG3 . 36684 1 177 . 1 . 1 22 22 ARG HD2 H 1 2.999 0 . 2 . . . . A 22 ARG HD2 . 36684 1 178 . 1 . 1 22 22 ARG HD3 H 1 2.999 0 . 2 . . . . A 22 ARG HD3 . 36684 1 179 . 1 . 1 23 23 ARG H H 1 7.934 0.002 . 1 . . . . A 23 ARG H . 36684 1 180 . 1 . 1 23 23 ARG HA H 1 4.164 0 . 1 . . . . A 23 ARG HA . 36684 1 181 . 1 . 1 23 23 ARG HB2 H 1 1.75 0 . 2 . . . . A 23 ARG HB2 . 36684 1 182 . 1 . 1 23 23 ARG HB3 H 1 1.75 0 . 2 . . . . A 23 ARG HB3 . 36684 1 183 . 1 . 1 23 23 ARG HG2 H 1 1.598 0 . 2 . . . . A 23 ARG HG2 . 36684 1 184 . 1 . 1 23 23 ARG HG3 H 1 1.598 0 . 2 . . . . A 23 ARG HG3 . 36684 1 185 . 1 . 1 23 23 ARG HD2 H 1 3.216 0 . 2 . . . . A 23 ARG HD2 . 36684 1 186 . 1 . 1 23 23 ARG HD3 H 1 3.216 0 . 2 . . . . A 23 ARG HD3 . 36684 1 187 . 1 . 1 24 24 DAR H H 1 7.971 0.001 . 1 . . . . A 24 DAR H . 36684 1 188 . 1 . 1 24 24 DAR HA H 1 4.236 0 . 1 . . . . A 24 DAR HA . 36684 1 189 . 1 . 1 24 24 DAR HB2 H 1 1.925 0 . 2 . . . . A 24 DAR HB2 . 36684 1 190 . 1 . 1 24 24 DAR HB3 H 1 1.448 0 . 2 . . . . A 24 DAR HB3 . 36684 1 191 . 1 . 1 24 24 DAR HD2 H 1 3.223 0 . 2 . . . . A 24 DAR HD2 . 36684 1 192 . 1 . 1 24 24 DAR HD3 H 1 3.223 0 . 2 . . . . A 24 DAR HD3 . 36684 1 193 . 1 . 1 24 24 DAR HG2 H 1 1.769 0 . 2 . . . . A 24 DAR HG2 . 36684 1 194 . 1 . 1 24 24 DAR HG3 H 1 1.628 0 . 2 . . . . A 24 DAR HG3 . 36684 1 195 . 1 . 1 25 25 ARG H H 1 8.373 0.001 . 1 . . . . A 25 ARG H . 36684 1 196 . 1 . 1 25 25 ARG HA H 1 4.361 0 . 1 . . . . A 25 ARG HA . 36684 1 197 . 1 . 1 25 25 ARG HB2 H 1 1.961 0 . 2 . . . . A 25 ARG HB2 . 36684 1 198 . 1 . 1 25 25 ARG HB3 H 1 1.961 0 . 2 . . . . A 25 ARG HB3 . 36684 1 199 . 1 . 1 25 25 ARG HG2 H 1 1.687 0 . 2 . . . . A 25 ARG HG2 . 36684 1 200 . 1 . 1 25 25 ARG HG3 H 1 1.687 0 . 2 . . . . A 25 ARG HG3 . 36684 1 201 . 1 . 1 25 25 ARG HD2 H 1 3.226 0 . 2 . . . . A 25 ARG HD2 . 36684 1 202 . 1 . 1 25 25 ARG HD3 H 1 3.226 0 . 2 . . . . A 25 ARG HD3 . 36684 1 stop_ save_