################################### # 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 31163 _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 . _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' . . . 31163 1 2 '2D 1H-1H COSY' . . . 31163 1 3 '2D 1H-1H NOESY' . . . 31163 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 LEU HA H 1 4.015 . . 1 . . . . A 1 LEU HA . 31163 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.723 . . 2 . . . . A 1 LEU HB2 . 31163 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.723 . . 2 . . . . A 1 LEU HB3 . 31163 1 4 . 1 . 1 1 1 LEU HG H 1 1.668 . . 1 . . . . A 1 LEU HG . 31163 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.946 . . 2 . . . . A 1 LEU HD11 . 31163 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.946 . . 2 . . . . A 1 LEU HD12 . 31163 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.946 . . 2 . . . . A 1 LEU HD13 . 31163 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.946 . . 2 . . . . A 1 LEU HD21 . 31163 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.946 . . 2 . . . . A 1 LEU HD22 . 31163 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.946 . . 2 . . . . A 1 LEU HD23 . 31163 1 11 . 1 . 1 2 2 LYS HA H 1 4.318 . . 1 . . . . A 2 LYS HA . 31163 1 12 . 1 . 1 2 2 LYS HB2 H 1 1.787 . . 2 . . . . A 2 LYS HB2 . 31163 1 13 . 1 . 1 2 2 LYS HB3 H 1 1.787 . . 2 . . . . A 2 LYS HB3 . 31163 1 14 . 1 . 1 2 2 LYS HG2 H 1 1.437 . . 2 . . . . A 2 LYS HG2 . 31163 1 15 . 1 . 1 2 2 LYS HG3 H 1 1.437 . . 2 . . . . A 2 LYS HG3 . 31163 1 16 . 1 . 1 2 2 LYS HD2 H 1 1.691 . . 2 . . . . A 2 LYS HD2 . 31163 1 17 . 1 . 1 2 2 LYS HD3 H 1 1.691 . . 2 . . . . A 2 LYS HD3 . 31163 1 18 . 1 . 1 2 2 LYS HE2 H 1 2.987 . . 2 . . . . A 2 LYS HE2 . 31163 1 19 . 1 . 1 2 2 LYS HE3 H 1 2.987 . . 2 . . . . A 2 LYS HE3 . 31163 1 20 . 1 . 1 3 3 ASN H H 1 8.622 . . 1 . . . . A 3 ASN H . 31163 1 21 . 1 . 1 3 3 ASN HA H 1 4.705 . . 1 . . . . A 3 ASN HA . 31163 1 22 . 1 . 1 3 3 ASN HB2 H 1 2.900 . . 2 . . . . A 3 ASN HB2 . 31163 1 23 . 1 . 1 3 3 ASN HB3 H 1 2.798 . . 2 . . . . A 3 ASN HB3 . 31163 1 24 . 1 . 1 3 3 ASN HD21 H 1 6.945 . . 2 . . . . A 3 ASN HD21 . 31163 1 25 . 1 . 1 3 3 ASN HD22 H 1 7.688 . . 2 . . . . A 3 ASN HD22 . 31163 1 26 . 1 . 1 4 4 ALA H H 1 8.472 . . 1 . . . . A 4 ALA H . 31163 1 27 . 1 . 1 4 4 ALA HA H 1 4.207 . . 1 . . . . A 4 ALA HA . 31163 1 28 . 1 . 1 4 4 ALA HB1 H 1 1.425 . . 1 . . . . A 4 ALA HB1 . 31163 1 29 . 1 . 1 4 4 ALA HB2 H 1 1.425 . . 1 . . . . A 4 ALA HB2 . 31163 1 30 . 1 . 1 4 4 ALA HB3 H 1 1.425 . . 1 . . . . A 4 ALA HB3 . 31163 1 31 . 1 . 1 5 5 XCP H H 1 8.056 . . 1 . . . . A 5 XCP H . 31163 1 32 . 1 . 1 5 5 XCP HA H 1 2.542 . . 1 . . . . A 5 XCP HA . 31163 1 33 . 1 . 1 5 5 XCP HB H 1 4.329 . . 1 . . . . A 5 XCP HB . 31163 1 34 . 1 . 1 5 5 XCP HD H 1 1.710 . . 1 . . . . A 5 XCP HD . 31163 1 35 . 1 . 1 5 5 XCP HDA H 1 1.813 . . 1 . . . . A 5 XCP HDA . 31163 1 36 . 1 . 1 5 5 XCP HE H 1 1.602 . . 1 . . . . A 5 XCP HE . 31163 1 37 . 1 . 1 5 5 XCP HEA H 1 2.033 . . 1 . . . . A 5 XCP HEA . 31163 1 38 . 1 . 1 5 5 XCP HG H 1 1.704 . . 1 . . . . A 5 XCP HG . 31163 1 39 . 1 . 1 5 5 XCP HGA H 1 1.925 . . 1 . . . . A 5 XCP HGA . 31163 1 40 . 1 . 1 6 6 GLU H H 1 8.241 . . 1 . . . . A 6 GLU H . 31163 1 41 . 1 . 1 6 6 GLU HA H 1 3.853 . . 1 . . . . A 6 GLU HA . 31163 1 42 . 1 . 1 6 6 GLU HB2 H 1 2.058 . . 2 . . . . A 6 GLU HB2 . 31163 1 43 . 1 . 1 6 6 GLU HB3 H 1 2.058 . . 2 . . . . A 6 GLU HB3 . 31163 1 44 . 1 . 1 6 6 GLU HG2 H 1 2.347 . . 2 . . . . A 6 GLU HG2 . 31163 1 45 . 1 . 1 6 6 GLU HG3 H 1 2.347 . . 2 . . . . A 6 GLU HG3 . 31163 1 46 . 1 . 1 7 7 ASP H H 1 8.288 . . 1 . . . . A 7 ASP H . 31163 1 47 . 1 . 1 7 7 ASP HA H 1 4.483 . . 1 . . . . A 7 ASP HA . 31163 1 48 . 1 . 1 7 7 ASP HB2 H 1 2.930 . . 2 . . . . A 7 ASP HB2 . 31163 1 49 . 1 . 1 7 7 ASP HB3 H 1 2.687 . . 2 . . . . A 7 ASP HB3 . 31163 1 50 . 1 . 1 8 8 ALA H H 1 7.888 . . 1 . . . . A 8 ALA H . 31163 1 51 . 1 . 1 8 8 ALA HA H 1 4.161 . . 1 . . . . A 8 ALA HA . 31163 1 52 . 1 . 1 8 8 ALA HB1 H 1 1.416 . . 1 . . . . A 8 ALA HB1 . 31163 1 53 . 1 . 1 8 8 ALA HB2 H 1 1.416 . . 1 . . . . A 8 ALA HB2 . 31163 1 54 . 1 . 1 8 8 ALA HB3 H 1 1.416 . . 1 . . . . A 8 ALA HB3 . 31163 1 55 . 1 . 1 9 9 ILE H H 1 8.358 . . 1 . . . . A 9 ILE H . 31163 1 56 . 1 . 1 9 9 ILE HA H 1 3.414 . . 1 . . . . A 9 ILE HA . 31163 1 57 . 1 . 1 9 9 ILE HB H 1 1.801 . . 1 . . . . A 9 ILE HB . 31163 1 58 . 1 . 1 9 9 ILE HG12 H 1 1.617 . . 2 . . . . A 9 ILE HG12 . 31163 1 59 . 1 . 1 9 9 ILE HG13 H 1 0.921 . . 2 . . . . A 9 ILE HG13 . 31163 1 60 . 1 . 1 9 9 ILE HG21 H 1 0.798 . . 1 . . . . A 9 ILE HG21 . 31163 1 61 . 1 . 1 9 9 ILE HG22 H 1 0.798 . . 1 . . . . A 9 ILE HG22 . 31163 1 62 . 1 . 1 9 9 ILE HG23 H 1 0.798 . . 1 . . . . A 9 ILE HG23 . 31163 1 63 . 1 . 1 9 9 ILE HD11 H 1 0.741 . . 1 . . . . A 9 ILE HD11 . 31163 1 64 . 1 . 1 9 9 ILE HD12 H 1 0.741 . . 1 . . . . A 9 ILE HD12 . 31163 1 65 . 1 . 1 9 9 ILE HD13 H 1 0.741 . . 1 . . . . A 9 ILE HD13 . 31163 1 66 . 1 . 1 10 10 ALA H H 1 8.086 . . 1 . . . . A 10 ALA H . 31163 1 67 . 1 . 1 10 10 ALA HA H 1 4.085 . . 1 . . . . A 10 ALA HA . 31163 1 68 . 1 . 1 10 10 ALA HB1 H 1 1.555 . . 1 . . . . A 10 ALA HB1 . 31163 1 69 . 1 . 1 10 10 ALA HB2 H 1 1.555 . . 1 . . . . A 10 ALA HB2 . 31163 1 70 . 1 . 1 10 10 ALA HB3 H 1 1.555 . . 1 . . . . A 10 ALA HB3 . 31163 1 71 . 1 . 1 11 11 GLU H H 1 7.812 . . 1 . . . . A 11 GLU H . 31163 1 72 . 1 . 1 11 11 GLU HA H 1 4.032 . . 1 . . . . A 11 GLU HA . 31163 1 73 . 1 . 1 11 11 GLU HB2 H 1 2.178 . . 2 . . . . A 11 GLU HB2 . 31163 1 74 . 1 . 1 11 11 GLU HB3 H 1 2.112 . . 2 . . . . A 11 GLU HB3 . 31163 1 75 . 1 . 1 11 11 GLU HG2 H 1 2.335 . . 2 . . . . A 11 GLU HG2 . 31163 1 76 . 1 . 1 11 11 GLU HG3 H 1 2.335 . . 2 . . . . A 11 GLU HG3 . 31163 1 77 . 1 . 1 12 12 LEU H H 1 8.015 . . 1 . . . . A 12 LEU H . 31163 1 78 . 1 . 1 12 12 LEU HA H 1 3.966 . . 1 . . . . A 12 LEU HA . 31163 1 79 . 1 . 1 12 12 LEU HB2 H 1 1.935 . . 2 . . . . A 12 LEU HB2 . 31163 1 80 . 1 . 1 12 12 LEU HB3 H 1 1.381 . . 2 . . . . A 12 LEU HB3 . 31163 1 81 . 1 . 1 12 12 LEU HG H 1 1.862 . . 1 . . . . A 12 LEU HG . 31163 1 82 . 1 . 1 12 12 LEU HD11 H 1 0.661 . . 2 . . . . A 12 LEU HD11 . 31163 1 83 . 1 . 1 12 12 LEU HD12 H 1 0.661 . . 2 . . . . A 12 LEU HD12 . 31163 1 84 . 1 . 1 12 12 LEU HD13 H 1 0.661 . . 2 . . . . A 12 LEU HD13 . 31163 1 85 . 1 . 1 12 12 LEU HD21 H 1 0.738 . . 2 . . . . A 12 LEU HD21 . 31163 1 86 . 1 . 1 12 12 LEU HD22 H 1 0.738 . . 2 . . . . A 12 LEU HD22 . 31163 1 87 . 1 . 1 12 12 LEU HD23 H 1 0.738 . . 2 . . . . A 12 LEU HD23 . 31163 1 88 . 1 . 1 13 13 LYS H H 1 8.426 . . 1 . . . . A 13 LYS H . 31163 1 89 . 1 . 1 13 13 LYS HA H 1 4.104 . . 1 . . . . A 13 LYS HA . 31163 1 90 . 1 . 1 13 13 LYS HB2 H 1 1.893 . . 2 . . . . A 13 LYS HB2 . 31163 1 91 . 1 . 1 13 13 LYS HB3 H 1 1.893 . . 2 . . . . A 13 LYS HB3 . 31163 1 92 . 1 . 1 13 13 LYS HG2 H 1 1.445 . . 2 . . . . A 13 LYS HG2 . 31163 1 93 . 1 . 1 13 13 LYS HG3 H 1 1.445 . . 2 . . . . A 13 LYS HG3 . 31163 1 94 . 1 . 1 13 13 LYS HD2 H 1 1.656 . . 2 . . . . A 13 LYS HD2 . 31163 1 95 . 1 . 1 13 13 LYS HD3 H 1 1.656 . . 2 . . . . A 13 LYS HD3 . 31163 1 96 . 1 . 1 13 13 LYS HE2 H 1 2.916 . . 2 . . . . A 13 LYS HE2 . 31163 1 97 . 1 . 1 13 13 LYS HE3 H 1 2.872 . . 2 . . . . A 13 LYS HE3 . 31163 1 98 . 1 . 1 14 14 LYS H H 1 7.967 . . 1 . . . . A 14 LYS H . 31163 1 99 . 1 . 1 14 14 LYS HA H 1 4.058 . . 1 . . . . A 14 LYS HA . 31163 1 100 . 1 . 1 14 14 LYS HB2 H 1 1.935 . . 2 . . . . A 14 LYS HB2 . 31163 1 101 . 1 . 1 14 14 LYS HB3 H 1 1.935 . . 2 . . . . A 14 LYS HB3 . 31163 1 102 . 1 . 1 14 14 LYS HG2 H 1 1.597 . . 2 . . . . A 14 LYS HG2 . 31163 1 103 . 1 . 1 14 14 LYS HG3 H 1 1.597 . . 2 . . . . A 14 LYS HG3 . 31163 1 104 . 1 . 1 14 14 LYS HD2 H 1 1.692 . . 2 . . . . A 14 LYS HD2 . 31163 1 105 . 1 . 1 14 14 LYS HD3 H 1 1.692 . . 2 . . . . A 14 LYS HD3 . 31163 1 106 . 1 . 1 14 14 LYS HE2 H 1 2.947 . . 2 . . . . A 14 LYS HE2 . 31163 1 107 . 1 . 1 14 14 LYS HE3 H 1 2.947 . . 2 . . . . A 14 LYS HE3 . 31163 1 108 . 1 . 1 15 15 ALA H H 1 7.444 . . 1 . . . . A 15 ALA H . 31163 1 109 . 1 . 1 15 15 ALA HA H 1 4.374 . . 1 . . . . A 15 ALA HA . 31163 1 110 . 1 . 1 15 15 ALA HB1 H 1 1.466 . . 1 . . . . A 15 ALA HB1 . 31163 1 111 . 1 . 1 15 15 ALA HB2 H 1 1.466 . . 1 . . . . A 15 ALA HB2 . 31163 1 112 . 1 . 1 15 15 ALA HB3 H 1 1.466 . . 1 . . . . A 15 ALA HB3 . 31163 1 113 . 1 . 1 16 16 GLY H H 1 7.878 . . 1 . . . . A 16 GLY H . 31163 1 114 . 1 . 1 16 16 GLY HA2 H 1 4.138 . . 2 . . . . A 16 GLY HA2 . 31163 1 115 . 1 . 1 16 16 GLY HA3 H 1 3.766 . . 2 . . . . A 16 GLY HA3 . 31163 1 116 . 1 . 1 17 17 ILE H H 1 7.881 . . 1 . . . . A 17 ILE H . 31163 1 117 . 1 . 1 17 17 ILE HA H 1 4.031 . . 1 . . . . A 17 ILE HA . 31163 1 118 . 1 . 1 17 17 ILE HB H 1 1.732 . . 1 . . . . A 17 ILE HB . 31163 1 119 . 1 . 1 17 17 ILE HG12 H 1 1.460 . . 2 . . . . A 17 ILE HG12 . 31163 1 120 . 1 . 1 17 17 ILE HG13 H 1 1.226 . . 2 . . . . A 17 ILE HG13 . 31163 1 121 . 1 . 1 17 17 ILE HG21 H 1 0.834 . . 1 . . . . A 17 ILE HG21 . 31163 1 122 . 1 . 1 17 17 ILE HG22 H 1 0.834 . . 1 . . . . A 17 ILE HG22 . 31163 1 123 . 1 . 1 17 17 ILE HG23 H 1 0.834 . . 1 . . . . A 17 ILE HG23 . 31163 1 124 . 1 . 1 17 17 ILE HD11 H 1 0.616 . . 1 . . . . A 17 ILE HD11 . 31163 1 125 . 1 . 1 17 17 ILE HD12 H 1 0.616 . . 1 . . . . A 17 ILE HD12 . 31163 1 126 . 1 . 1 17 17 ILE HD13 H 1 0.616 . . 1 . . . . A 17 ILE HD13 . 31163 1 127 . 1 . 1 18 18 THR H H 1 8.116 . . 1 . . . . A 18 THR H . 31163 1 128 . 1 . 1 18 18 THR HA H 1 4.488 . . 1 . . . . A 18 THR HA . 31163 1 129 . 1 . 1 18 18 THR HB H 1 4.437 . . 1 . . . . A 18 THR HB . 31163 1 130 . 1 . 1 18 18 THR HG21 H 1 1.218 . . 1 . . . . A 18 THR HG21 . 31163 1 131 . 1 . 1 18 18 THR HG22 H 1 1.218 . . 1 . . . . A 18 THR HG22 . 31163 1 132 . 1 . 1 18 18 THR HG23 H 1 1.218 . . 1 . . . . A 18 THR HG23 . 31163 1 133 . 1 . 1 19 19 SER H H 1 8.081 . . 1 . . . . A 19 SER H . 31163 1 134 . 1 . 1 19 19 SER HA H 1 4.443 . . 1 . . . . A 19 SER HA . 31163 1 135 . 1 . 1 19 19 SER HB2 H 1 3.852 . . 2 . . . . A 19 SER HB2 . 31163 1 136 . 1 . 1 19 19 SER HB3 H 1 3.753 . . 2 . . . . A 19 SER HB3 . 31163 1 137 . 1 . 1 20 20 ASP H H 1 8.559 . . 1 . . . . A 20 ASP H . 31163 1 138 . 1 . 1 20 20 ASP HA H 1 4.323 . . 1 . . . . A 20 ASP HA . 31163 1 139 . 1 . 1 20 20 ASP HB2 H 1 2.584 . . 2 . . . . A 20 ASP HB2 . 31163 1 140 . 1 . 1 20 20 ASP HB3 H 1 2.491 . . 2 . . . . A 20 ASP HB3 . 31163 1 141 . 1 . 1 21 21 PHE H H 1 7.923 . . 1 . . . . A 21 PHE H . 31163 1 142 . 1 . 1 21 21 PHE HA H 1 4.297 . . 1 . . . . A 21 PHE HA . 31163 1 143 . 1 . 1 21 21 PHE HB2 H 1 3.062 . . 2 . . . . A 21 PHE HB2 . 31163 1 144 . 1 . 1 21 21 PHE HB3 H 1 3.062 . . 2 . . . . A 21 PHE HB3 . 31163 1 145 . 1 . 1 21 21 PHE HD1 H 1 6.934 . . 3 . . . . A 21 PHE HD1 . 31163 1 146 . 1 . 1 21 21 PHE HD2 H 1 6.934 . . 3 . . . . A 21 PHE HD2 . 31163 1 147 . 1 . 1 21 21 PHE HE1 H 1 7.229 . . 3 . . . . A 21 PHE HE1 . 31163 1 148 . 1 . 1 21 21 PHE HE2 H 1 7.229 . . 3 . . . . A 21 PHE HE2 . 31163 1 149 . 1 . 1 21 21 PHE HZ H 1 7.305 . . 1 . . . . A 21 PHE HZ . 31163 1 150 . 1 . 1 22 22 TYR H H 1 7.449 . . 1 . . . . A 22 TYR H . 31163 1 151 . 1 . 1 22 22 TYR HA H 1 4.419 . . 1 . . . . A 22 TYR HA . 31163 1 152 . 1 . 1 22 22 TYR HB2 H 1 2.844 . . 2 . . . . A 22 TYR HB2 . 31163 1 153 . 1 . 1 22 22 TYR HB3 H 1 2.755 . . 2 . . . . A 22 TYR HB3 . 31163 1 154 . 1 . 1 22 22 TYR HD1 H 1 6.763 . . 3 . . . . A 22 TYR HD1 . 31163 1 155 . 1 . 1 22 22 TYR HD2 H 1 6.763 . . 3 . . . . A 22 TYR HD2 . 31163 1 156 . 1 . 1 22 22 TYR HE1 H 1 6.853 . . 3 . . . . A 22 TYR HE1 . 31163 1 157 . 1 . 1 22 22 TYR HE2 H 1 6.853 . . 3 . . . . A 22 TYR HE2 . 31163 1 158 . 1 . 1 23 23 PHE H H 1 7.871 . . 1 . . . . A 23 PHE H . 31163 1 159 . 1 . 1 23 23 PHE HA H 1 4.287 . . 1 . . . . A 23 PHE HA . 31163 1 160 . 1 . 1 23 23 PHE HB2 H 1 3.128 . . 2 . . . . A 23 PHE HB2 . 31163 1 161 . 1 . 1 23 23 PHE HB3 H 1 3.128 . . 2 . . . . A 23 PHE HB3 . 31163 1 162 . 1 . 1 23 23 PHE HD1 H 1 7.223 . . 3 . . . . A 23 PHE HD1 . 31163 1 163 . 1 . 1 23 23 PHE HD2 H 1 7.223 . . 3 . . . . A 23 PHE HD2 . 31163 1 164 . 1 . 1 23 23 PHE HE1 H 1 7.309 . . 3 . . . . A 23 PHE HE1 . 31163 1 165 . 1 . 1 23 23 PHE HE2 H 1 7.309 . . 3 . . . . A 23 PHE HE2 . 31163 1 166 . 1 . 1 23 23 PHE HZ H 1 7.390 . . 1 . . . . A 23 PHE HZ . 31163 1 167 . 1 . 1 24 24 ASN H H 1 8.160 . . 1 . . . . A 24 ASN H . 31163 1 168 . 1 . 1 24 24 ASN HA H 1 4.455 . . 1 . . . . A 24 ASN HA . 31163 1 169 . 1 . 1 24 24 ASN HB2 H 1 2.704 . . 2 . . . . A 24 ASN HB2 . 31163 1 170 . 1 . 1 24 24 ASN HB3 H 1 2.704 . . 2 . . . . A 24 ASN HB3 . 31163 1 171 . 1 . 1 24 24 ASN HD21 H 1 6.956 . . 2 . . . . A 24 ASN HD21 . 31163 1 172 . 1 . 1 24 24 ASN HD22 H 1 7.580 . . 2 . . . . A 24 ASN HD22 . 31163 1 173 . 1 . 1 25 25 ALA H H 1 7.716 . . 1 . . . . A 25 ALA H . 31163 1 174 . 1 . 1 25 25 ALA HA H 1 4.018 . . 1 . . . . A 25 ALA HA . 31163 1 175 . 1 . 1 25 25 ALA HB1 H 1 1.294 . . 1 . . . . A 25 ALA HB1 . 31163 1 176 . 1 . 1 25 25 ALA HB2 H 1 1.294 . . 1 . . . . A 25 ALA HB2 . 31163 1 177 . 1 . 1 25 25 ALA HB3 H 1 1.294 . . 1 . . . . A 25 ALA HB3 . 31163 1 178 . 1 . 1 26 26 BIL H H 1 7.395 . . 1 . . . . A 26 BIL H . 31163 1 179 . 1 . 1 26 26 BIL H1D1 H 1 1.184 . . 1 . . . . A 26 BIL H1D1 . 31163 1 180 . 1 . 1 26 26 BIL H1D2 H 1 0.826 . . 1 . . . . A 26 BIL H1D2 . 31163 1 181 . 1 . 1 26 26 BIL H1E1 H 1 0.799 . . 1 . . . . A 26 BIL H1E1 . 31163 1 182 . 1 . 1 26 26 BIL HA H 1 2.212 . . 1 . . . . A 26 BIL HA . 31163 1 183 . 1 . 1 26 26 BIL HAA H 1 2.465 . . 1 . . . . A 26 BIL HAA . 31163 1 184 . 1 . 1 26 26 BIL HB H 1 4.207 . . 1 . . . . A 26 BIL HB . 31163 1 185 . 1 . 1 26 26 BIL HG H 1 1.629 . . 1 . . . . A 26 BIL HG . 31163 1 186 . 1 . 1 27 27 ASN H H 1 7.796 . . 1 . . . . A 27 ASN H . 31163 1 187 . 1 . 1 27 27 ASN HA H 1 4.397 . . 1 . . . . A 27 ASN HA . 31163 1 188 . 1 . 1 27 27 ASN HB2 H 1 2.840 . . 2 . . . . A 27 ASN HB2 . 31163 1 189 . 1 . 1 27 27 ASN HB3 H 1 2.790 . . 2 . . . . A 27 ASN HB3 . 31163 1 190 . 1 . 1 27 27 ASN HD21 H 1 6.695 . . 2 . . . . A 27 ASN HD21 . 31163 1 191 . 1 . 1 27 27 ASN HD22 H 1 7.541 . . 2 . . . . A 27 ASN HD22 . 31163 1 192 . 1 . 1 28 28 LYS H H 1 7.859 . . 1 . . . . A 28 LYS H . 31163 1 193 . 1 . 1 28 28 LYS HA H 1 4.229 . . 1 . . . . A 28 LYS HA . 31163 1 194 . 1 . 1 28 28 LYS HB2 H 1 1.921 . . 2 . . . . A 28 LYS HB2 . 31163 1 195 . 1 . 1 28 28 LYS HB3 H 1 1.855 . . 2 . . . . A 28 LYS HB3 . 31163 1 196 . 1 . 1 28 28 LYS HG2 H 1 1.629 . . 2 . . . . A 28 LYS HG2 . 31163 1 197 . 1 . 1 28 28 LYS HG3 H 1 1.629 . . 2 . . . . A 28 LYS HG3 . 31163 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.685 . . 2 . . . . A 28 LYS HD2 . 31163 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.685 . . 2 . . . . A 28 LYS HD3 . 31163 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.968 . . 2 . . . . A 28 LYS HE2 . 31163 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.968 . . 2 . . . . A 28 LYS HE3 . 31163 1 202 . 1 . 1 29 29 ALA H H 1 7.795 . . 1 . . . . A 29 ALA H . 31163 1 203 . 1 . 1 29 29 ALA HA H 1 4.301 . . 1 . . . . A 29 ALA HA . 31163 1 204 . 1 . 1 29 29 ALA HB1 H 1 1.359 . . 1 . . . . A 29 ALA HB1 . 31163 1 205 . 1 . 1 29 29 ALA HB2 H 1 1.359 . . 1 . . . . A 29 ALA HB2 . 31163 1 206 . 1 . 1 29 29 ALA HB3 H 1 1.359 . . 1 . . . . A 29 ALA HB3 . 31163 1 207 . 1 . 1 30 30 LYS H H 1 8.654 . . 1 . . . . A 30 LYS H . 31163 1 208 . 1 . 1 30 30 LYS HA H 1 4.442 . . 1 . . . . A 30 LYS HA . 31163 1 209 . 1 . 1 30 30 LYS HB2 H 1 1.925 . . 2 . . . . A 30 LYS HB2 . 31163 1 210 . 1 . 1 30 30 LYS HB3 H 1 1.925 . . 2 . . . . A 30 LYS HB3 . 31163 1 211 . 1 . 1 30 30 LYS HG2 H 1 1.550 . . 2 . . . . A 30 LYS HG2 . 31163 1 212 . 1 . 1 30 30 LYS HG3 H 1 1.493 . . 2 . . . . A 30 LYS HG3 . 31163 1 213 . 1 . 1 30 30 LYS HD2 H 1 1.690 . . 2 . . . . A 30 LYS HD2 . 31163 1 214 . 1 . 1 30 30 LYS HD3 H 1 1.690 . . 2 . . . . A 30 LYS HD3 . 31163 1 215 . 1 . 1 30 30 LYS HE2 H 1 3.021 . . 2 . . . . A 30 LYS HE2 . 31163 1 216 . 1 . 1 30 30 LYS HE3 H 1 3.021 . . 2 . . . . A 30 LYS HE3 . 31163 1 217 . 1 . 1 31 31 THR H H 1 7.808 . . 1 . . . . A 31 THR H . 31163 1 218 . 1 . 1 31 31 THR HA H 1 4.692 . . 1 . . . . A 31 THR HA . 31163 1 219 . 1 . 1 31 31 THR HB H 1 4.650 . . 1 . . . . A 31 THR HB . 31163 1 220 . 1 . 1 31 31 THR HG21 H 1 1.262 . . 1 . . . . A 31 THR HG21 . 31163 1 221 . 1 . 1 31 31 THR HG22 H 1 1.262 . . 1 . . . . A 31 THR HG22 . 31163 1 222 . 1 . 1 31 31 THR HG23 H 1 1.262 . . 1 . . . . A 31 THR HG23 . 31163 1 223 . 1 . 1 32 32 VAL H H 1 8.701 . . 1 . . . . A 32 VAL H . 31163 1 224 . 1 . 1 32 32 VAL HA H 1 3.642 . . 1 . . . . A 32 VAL HA . 31163 1 225 . 1 . 1 32 32 VAL HB H 1 2.039 . . 1 . . . . A 32 VAL HB . 31163 1 226 . 1 . 1 32 32 VAL HG11 H 1 0.946 . . 2 . . . . A 32 VAL HG11 . 31163 1 227 . 1 . 1 32 32 VAL HG12 H 1 0.946 . . 2 . . . . A 32 VAL HG12 . 31163 1 228 . 1 . 1 32 32 VAL HG13 H 1 0.946 . . 2 . . . . A 32 VAL HG13 . 31163 1 229 . 1 . 1 32 32 VAL HG21 H 1 1.032 . . 2 . . . . A 32 VAL HG21 . 31163 1 230 . 1 . 1 32 32 VAL HG22 H 1 1.032 . . 2 . . . . A 32 VAL HG22 . 31163 1 231 . 1 . 1 32 32 VAL HG23 H 1 1.032 . . 2 . . . . A 32 VAL HG23 . 31163 1 232 . 1 . 1 33 33 GLU H H 1 8.652 . . 1 . . . . A 33 GLU H . 31163 1 233 . 1 . 1 33 33 GLU HA H 1 4.056 . . 1 . . . . A 33 GLU HA . 31163 1 234 . 1 . 1 33 33 GLU HB2 H 1 2.077 . . 2 . . . . A 33 GLU HB2 . 31163 1 235 . 1 . 1 33 33 GLU HB3 H 1 1.974 . . 2 . . . . A 33 GLU HB3 . 31163 1 236 . 1 . 1 33 33 GLU HG2 H 1 2.439 . . 2 . . . . A 33 GLU HG2 . 31163 1 237 . 1 . 1 33 33 GLU HG3 H 1 2.297 . . 2 . . . . A 33 GLU HG3 . 31163 1 238 . 1 . 1 34 34 GLU H H 1 7.892 . . 1 . . . . A 34 GLU H . 31163 1 239 . 1 . 1 34 34 GLU HA H 1 4.125 . . 1 . . . . A 34 GLU HA . 31163 1 240 . 1 . 1 34 34 GLU HB2 H 1 2.238 . . 2 . . . . A 34 GLU HB2 . 31163 1 241 . 1 . 1 34 34 GLU HB3 H 1 2.062 . . 2 . . . . A 34 GLU HB3 . 31163 1 242 . 1 . 1 34 34 GLU HG2 H 1 2.400 . . 2 . . . . A 34 GLU HG2 . 31163 1 243 . 1 . 1 34 34 GLU HG3 H 1 2.296 . . 2 . . . . A 34 GLU HG3 . 31163 1 244 . 1 . 1 35 35 VAL H H 1 8.130 . . 1 . . . . A 35 VAL H . 31163 1 245 . 1 . 1 35 35 VAL HA H 1 3.476 . . 1 . . . . A 35 VAL HA . 31163 1 246 . 1 . 1 35 35 VAL HB H 1 2.209 . . 1 . . . . A 35 VAL HB . 31163 1 247 . 1 . 1 35 35 VAL HG11 H 1 0.863 . . 2 . . . . A 35 VAL HG11 . 31163 1 248 . 1 . 1 35 35 VAL HG12 H 1 0.863 . . 2 . . . . A 35 VAL HG12 . 31163 1 249 . 1 . 1 35 35 VAL HG13 H 1 0.863 . . 2 . . . . A 35 VAL HG13 . 31163 1 250 . 1 . 1 35 35 VAL HG21 H 1 0.978 . . 2 . . . . A 35 VAL HG21 . 31163 1 251 . 1 . 1 35 35 VAL HG22 H 1 0.978 . . 2 . . . . A 35 VAL HG22 . 31163 1 252 . 1 . 1 35 35 VAL HG23 H 1 0.978 . . 2 . . . . A 35 VAL HG23 . 31163 1 253 . 1 . 1 36 36 ASN H H 1 8.386 . . 1 . . . . A 36 ASN H . 31163 1 254 . 1 . 1 36 36 ASN HA H 1 4.424 . . 1 . . . . A 36 ASN HA . 31163 1 255 . 1 . 1 36 36 ASN HB2 H 1 2.795 . . 2 . . . . A 36 ASN HB2 . 31163 1 256 . 1 . 1 36 36 ASN HB3 H 1 2.795 . . 2 . . . . A 36 ASN HB3 . 31163 1 257 . 1 . 1 36 36 ASN HD21 H 1 6.819 . . 2 . . . . A 36 ASN HD21 . 31163 1 258 . 1 . 1 36 36 ASN HD22 H 1 7.580 . . 2 . . . . A 36 ASN HD22 . 31163 1 259 . 1 . 1 37 37 ALA H H 1 7.824 . . 1 . . . . A 37 ALA H . 31163 1 260 . 1 . 1 37 37 ALA HA H 1 4.250 . . 1 . . . . A 37 ALA HA . 31163 1 261 . 1 . 1 37 37 ALA HB1 H 1 1.522 . . 1 . . . . A 37 ALA HB1 . 31163 1 262 . 1 . 1 37 37 ALA HB2 H 1 1.522 . . 1 . . . . A 37 ALA HB2 . 31163 1 263 . 1 . 1 37 37 ALA HB3 H 1 1.522 . . 1 . . . . A 37 ALA HB3 . 31163 1 264 . 1 . 1 38 38 LEU H H 1 7.932 . . 1 . . . . A 38 LEU H . 31163 1 265 . 1 . 1 38 38 LEU HA H 1 4.192 . . 1 . . . . A 38 LEU HA . 31163 1 266 . 1 . 1 38 38 LEU HB2 H 1 1.552 . . 2 . . . . A 38 LEU HB2 . 31163 1 267 . 1 . 1 38 38 LEU HB3 H 1 1.552 . . 2 . . . . A 38 LEU HB3 . 31163 1 268 . 1 . 1 38 38 LEU HG H 1 1.737 . . 1 . . . . A 38 LEU HG . 31163 1 269 . 1 . 1 38 38 LEU HD11 H 1 0.872 . . 2 . . . . A 38 LEU HD11 . 31163 1 270 . 1 . 1 38 38 LEU HD12 H 1 0.872 . . 2 . . . . A 38 LEU HD12 . 31163 1 271 . 1 . 1 38 38 LEU HD13 H 1 0.872 . . 2 . . . . A 38 LEU HD13 . 31163 1 272 . 1 . 1 38 38 LEU HD21 H 1 0.904 . . 2 . . . . A 38 LEU HD21 . 31163 1 273 . 1 . 1 38 38 LEU HD22 H 1 0.904 . . 2 . . . . A 38 LEU HD22 . 31163 1 274 . 1 . 1 38 38 LEU HD23 H 1 0.904 . . 2 . . . . A 38 LEU HD23 . 31163 1 275 . 1 . 1 39 39 XCP H H 1 8.175 . . 1 . . . . A 39 XCP H . 31163 1 276 . 1 . 1 39 39 XCP HA H 1 2.588 . . 1 . . . . A 39 XCP HA . 31163 1 277 . 1 . 1 39 39 XCP HB H 1 4.269 . . 1 . . . . A 39 XCP HB . 31163 1 278 . 1 . 1 39 39 XCP HD H 1 1.618 . . 1 . . . . A 39 XCP HD . 31163 1 279 . 1 . 1 39 39 XCP HDA H 1 1.696 . . 1 . . . . A 39 XCP HDA . 31163 1 280 . 1 . 1 39 39 XCP HE H 1 1.819 . . 1 . . . . A 39 XCP HE . 31163 1 281 . 1 . 1 39 39 XCP HEA H 1 1.970 . . 1 . . . . A 39 XCP HEA . 31163 1 282 . 1 . 1 39 39 XCP HG H 1 1.690 . . 1 . . . . A 39 XCP HG . 31163 1 283 . 1 . 1 39 39 XCP HGA H 1 1.964 . . 1 . . . . A 39 XCP HGA . 31163 1 284 . 1 . 1 40 40 ASN H H 1 7.919 . . 1 . . . . A 40 ASN H . 31163 1 285 . 1 . 1 40 40 ASN HA H 1 4.298 . . 1 . . . . A 40 ASN HA . 31163 1 286 . 1 . 1 40 40 ASN HB2 H 1 2.922 . . 2 . . . . A 40 ASN HB2 . 31163 1 287 . 1 . 1 40 40 ASN HB3 H 1 2.827 . . 2 . . . . A 40 ASN HB3 . 31163 1 288 . 1 . 1 40 40 ASN HD21 H 1 6.911 . . 2 . . . . A 40 ASN HD21 . 31163 1 289 . 1 . 1 40 40 ASN HD22 H 1 7.642 . . 2 . . . . A 40 ASN HD22 . 31163 1 290 . 1 . 1 41 41 GLU H H 1 8.074 . . 1 . . . . A 41 GLU H . 31163 1 291 . 1 . 1 41 41 GLU HA H 1 4.066 . . 1 . . . . A 41 GLU HA . 31163 1 292 . 1 . 1 41 41 GLU HB2 H 1 2.372 . . 2 . . . . A 41 GLU HB2 . 31163 1 293 . 1 . 1 41 41 GLU HB3 H 1 2.306 . . 2 . . . . A 41 GLU HB3 . 31163 1 294 . 1 . 1 41 41 GLU HG2 H 1 2.433 . . 2 . . . . A 41 GLU HG2 . 31163 1 295 . 1 . 1 41 41 GLU HG3 H 1 2.433 . . 2 . . . . A 41 GLU HG3 . 31163 1 296 . 1 . 1 42 42 ILE H H 1 8.387 . . 1 . . . . A 42 ILE H . 31163 1 297 . 1 . 1 42 42 ILE HA H 1 3.781 . . 1 . . . . A 42 ILE HA . 31163 1 298 . 1 . 1 42 42 ILE HB H 1 1.758 . . 1 . . . . A 42 ILE HB . 31163 1 299 . 1 . 1 42 42 ILE HG12 H 1 1.744 . . 2 . . . . A 42 ILE HG12 . 31163 1 300 . 1 . 1 42 42 ILE HG13 H 1 0.962 . . 2 . . . . A 42 ILE HG13 . 31163 1 301 . 1 . 1 42 42 ILE HG21 H 1 0.790 . . 1 . . . . A 42 ILE HG21 . 31163 1 302 . 1 . 1 42 42 ILE HG22 H 1 0.790 . . 1 . . . . A 42 ILE HG22 . 31163 1 303 . 1 . 1 42 42 ILE HG23 H 1 0.790 . . 1 . . . . A 42 ILE HG23 . 31163 1 304 . 1 . 1 42 42 ILE HD11 H 1 0.696 . . 1 . . . . A 42 ILE HD11 . 31163 1 305 . 1 . 1 42 42 ILE HD12 H 1 0.696 . . 1 . . . . A 42 ILE HD12 . 31163 1 306 . 1 . 1 42 42 ILE HD13 H 1 0.696 . . 1 . . . . A 42 ILE HD13 . 31163 1 307 . 1 . 1 43 43 LEU H H 1 8.422 . . 1 . . . . A 43 LEU H . 31163 1 308 . 1 . 1 43 43 LEU HA H 1 4.022 . . 1 . . . . A 43 LEU HA . 31163 1 309 . 1 . 1 43 43 LEU HB2 H 1 1.830 . . 2 . . . . A 43 LEU HB2 . 31163 1 310 . 1 . 1 43 43 LEU HB3 H 1 1.459 . . 2 . . . . A 43 LEU HB3 . 31163 1 311 . 1 . 1 43 43 LEU HG H 1 1.712 . . 1 . . . . A 43 LEU HG . 31163 1 312 . 1 . 1 43 43 LEU HD11 H 1 0.786 . . 2 . . . . A 43 LEU HD11 . 31163 1 313 . 1 . 1 43 43 LEU HD12 H 1 0.786 . . 2 . . . . A 43 LEU HD12 . 31163 1 314 . 1 . 1 43 43 LEU HD13 H 1 0.786 . . 2 . . . . A 43 LEU HD13 . 31163 1 315 . 1 . 1 43 43 LEU HD21 H 1 0.786 . . 2 . . . . A 43 LEU HD21 . 31163 1 316 . 1 . 1 43 43 LEU HD22 H 1 0.786 . . 2 . . . . A 43 LEU HD22 . 31163 1 317 . 1 . 1 43 43 LEU HD23 H 1 0.786 . . 2 . . . . A 43 LEU HD23 . 31163 1 318 . 1 . 1 44 44 LYS H H 1 8.119 . . 1 . . . . A 44 LYS H . 31163 1 319 . 1 . 1 44 44 LYS HA H 1 4.103 . . 1 . . . . A 44 LYS HA . 31163 1 320 . 1 . 1 44 44 LYS HB2 H 1 1.897 . . 2 . . . . A 44 LYS HB2 . 31163 1 321 . 1 . 1 44 44 LYS HB3 H 1 1.897 . . 2 . . . . A 44 LYS HB3 . 31163 1 322 . 1 . 1 44 44 LYS HG2 H 1 1.451 . . 2 . . . . A 44 LYS HG2 . 31163 1 323 . 1 . 1 44 44 LYS HG3 H 1 1.451 . . 2 . . . . A 44 LYS HG3 . 31163 1 324 . 1 . 1 44 44 LYS HD2 H 1 1.669 . . 2 . . . . A 44 LYS HD2 . 31163 1 325 . 1 . 1 44 44 LYS HD3 H 1 1.669 . . 2 . . . . A 44 LYS HD3 . 31163 1 326 . 1 . 1 44 44 LYS HE2 H 1 2.956 . . 2 . . . . A 44 LYS HE2 . 31163 1 327 . 1 . 1 44 44 LYS HE3 H 1 2.956 . . 2 . . . . A 44 LYS HE3 . 31163 1 328 . 1 . 1 45 45 ALA H H 1 7.794 . . 1 . . . . A 45 ALA H . 31163 1 329 . 1 . 1 45 45 ALA HA H 1 4.216 . . 1 . . . . A 45 ALA HA . 31163 1 330 . 1 . 1 45 45 ALA HB1 H 1 1.449 . . 1 . . . . A 45 ALA HB1 . 31163 1 331 . 1 . 1 45 45 ALA HB2 H 1 1.449 . . 1 . . . . A 45 ALA HB2 . 31163 1 332 . 1 . 1 45 45 ALA HB3 H 1 1.449 . . 1 . . . . A 45 ALA HB3 . 31163 1 333 . 1 . 1 46 46 HIS H H 1 8.036 . . 1 . . . . A 46 HIS H . 31163 1 334 . 1 . 1 46 46 HIS HA H 1 4.550 . . 1 . . . . A 46 HIS HA . 31163 1 335 . 1 . 1 46 46 HIS HB2 H 1 3.323 . . 2 . . . . A 46 HIS HB2 . 31163 1 336 . 1 . 1 46 46 HIS HB3 H 1 3.040 . . 2 . . . . A 46 HIS HB3 . 31163 1 337 . 1 . 1 46 46 HIS HD2 H 1 7.287 . . 1 . . . . A 46 HIS HD2 . 31163 1 338 . 1 . 1 46 46 HIS HE1 H 1 8.394 . . 1 . . . . A 46 HIS HE1 . 31163 1 339 . 1 . 1 47 47 ALA H H 1 7.886 . . 1 . . . . A 47 ALA H . 31163 1 340 . 1 . 1 47 47 ALA HA H 1 4.253 . . 1 . . . . A 47 ALA HA . 31163 1 341 . 1 . 1 47 47 ALA HB1 H 1 1.452 . . 1 . . . . A 47 ALA HB1 . 31163 1 342 . 1 . 1 47 47 ALA HB2 H 1 1.452 . . 1 . . . . A 47 ALA HB2 . 31163 1 343 . 1 . 1 47 47 ALA HB3 H 1 1.452 . . 1 . . . . A 47 ALA HB3 . 31163 1 344 . 1 . 1 48 48 NH2 HN1 H 1 7.065 . . 2 . . . . A 48 NH2 HN1 . 31163 1 345 . 1 . 1 48 48 NH2 HN2 H 1 7.394 . . 2 . . . . A 48 NH2 HN2 . 31163 1 stop_ save_