################################### # 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 31162 _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' . . . 31162 1 2 '2D 1H-1H COSY' . . . 31162 1 3 '2D 1H-1H NOESY' . . . 31162 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 4.268 . . 1 . . . . A 1 LEU HA . 31162 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.578 . . 2 . . . . A 1 LEU HB2 . 31162 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.578 . . 2 . . . . A 1 LEU HB3 . 31162 1 4 . 1 . 1 1 1 LEU HD11 H 1 0.875 . . 2 . . . . A 1 LEU HD11 . 31162 1 5 . 1 . 1 1 1 LEU HD12 H 1 0.875 . . 2 . . . . A 1 LEU HD12 . 31162 1 6 . 1 . 1 1 1 LEU HD13 H 1 0.875 . . 2 . . . . A 1 LEU HD13 . 31162 1 7 . 1 . 1 1 1 LEU HD21 H 1 0.932 . . 2 . . . . A 1 LEU HD21 . 31162 1 8 . 1 . 1 1 1 LEU HD22 H 1 0.932 . . 2 . . . . A 1 LEU HD22 . 31162 1 9 . 1 . 1 1 1 LEU HD23 H 1 0.932 . . 2 . . . . A 1 LEU HD23 . 31162 1 10 . 1 . 1 2 2 LYS H H 1 8.171 . . 1 . . . . A 2 LYS H . 31162 1 11 . 1 . 1 2 2 LYS HA H 1 4.269 . . 1 . . . . A 2 LYS HA . 31162 1 12 . 1 . 1 2 2 LYS HB2 H 1 1.810 . . 2 . . . . A 2 LYS HB2 . 31162 1 13 . 1 . 1 2 2 LYS HB3 H 1 1.810 . . 2 . . . . A 2 LYS HB3 . 31162 1 14 . 1 . 1 2 2 LYS HG2 H 1 1.460 . . 2 . . . . A 2 LYS HG2 . 31162 1 15 . 1 . 1 2 2 LYS HG3 H 1 1.385 . . 2 . . . . A 2 LYS HG3 . 31162 1 16 . 1 . 1 2 2 LYS HD2 H 1 1.683 . . 2 . . . . A 2 LYS HD2 . 31162 1 17 . 1 . 1 2 2 LYS HD3 H 1 1.683 . . 2 . . . . A 2 LYS HD3 . 31162 1 18 . 1 . 1 2 2 LYS HE2 H 1 2.983 . . 2 . . . . A 2 LYS HE2 . 31162 1 19 . 1 . 1 2 2 LYS HE3 H 1 2.983 . . 2 . . . . A 2 LYS HE3 . 31162 1 20 . 1 . 1 3 3 ASN H H 1 8.662 . . 1 . . . . A 3 ASN H . 31162 1 21 . 1 . 1 3 3 ASN HA H 1 4.674 . . 1 . . . . A 3 ASN HA . 31162 1 22 . 1 . 1 3 3 ASN HB2 H 1 2.918 . . 2 . . . . A 3 ASN HB2 . 31162 1 23 . 1 . 1 3 3 ASN HB3 H 1 2.841 . . 2 . . . . A 3 ASN HB3 . 31162 1 24 . 1 . 1 3 3 ASN HD21 H 1 7.052 . . 2 . . . . A 3 ASN HD21 . 31162 1 25 . 1 . 1 3 3 ASN HD22 H 1 7.808 . . 2 . . . . A 3 ASN HD22 . 31162 1 26 . 1 . 1 4 4 ALA H H 1 8.473 . . 1 . . . . A 4 ALA H . 31162 1 27 . 1 . 1 4 4 ALA HA H 1 4.140 . . 1 . . . . A 4 ALA HA . 31162 1 28 . 1 . 1 4 4 ALA HB1 H 1 1.422 . . 1 . . . . A 4 ALA HB1 . 31162 1 29 . 1 . 1 4 4 ALA HB2 H 1 1.422 . . 1 . . . . A 4 ALA HB2 . 31162 1 30 . 1 . 1 4 4 ALA HB3 H 1 1.422 . . 1 . . . . A 4 ALA HB3 . 31162 1 31 . 1 . 1 5 5 XCP H H 1 7.992 . . 1 . . . . A 5 XCP H . 31162 1 32 . 1 . 1 5 5 XCP HA H 1 2.557 . . 1 . . . . A 5 XCP HA . 31162 1 33 . 1 . 1 5 5 XCP HB H 1 4.274 . . 1 . . . . A 5 XCP HB . 31162 1 34 . 1 . 1 5 5 XCP HD H 1 1.588 . . 1 . . . . A 5 XCP HD . 31162 1 35 . 1 . 1 5 5 XCP HDA H 1 1.819 . . 1 . . . . A 5 XCP HDA . 31162 1 36 . 1 . 1 5 5 XCP HE H 1 1.672 . . 1 . . . . A 5 XCP HE . 31162 1 37 . 1 . 1 5 5 XCP HEA H 1 2.031 . . 1 . . . . A 5 XCP HEA . 31162 1 38 . 1 . 1 5 5 XCP HG H 1 1.672 . . 1 . . . . A 5 XCP HG . 31162 1 39 . 1 . 1 5 5 XCP HGA H 1 1.896 . . 1 . . . . A 5 XCP HGA . 31162 1 40 . 1 . 1 6 6 GLU H H 1 8.263 . . 1 . . . . A 6 GLU H . 31162 1 41 . 1 . 1 6 6 GLU HA H 1 3.955 . . 1 . . . . A 6 GLU HA . 31162 1 42 . 1 . 1 6 6 GLU HB2 H 1 2.092 . . 2 . . . . A 6 GLU HB2 . 31162 1 43 . 1 . 1 6 6 GLU HB3 H 1 2.092 . . 2 . . . . A 6 GLU HB3 . 31162 1 44 . 1 . 1 6 6 GLU HG2 H 1 2.390 . . 2 . . . . A 6 GLU HG2 . 31162 1 45 . 1 . 1 6 6 GLU HG3 H 1 2.390 . . 2 . . . . A 6 GLU HG3 . 31162 1 46 . 1 . 1 7 7 ASP H H 1 8.364 . . 1 . . . . A 7 ASP H . 31162 1 47 . 1 . 1 7 7 ASP HA H 1 4.525 . . 1 . . . . A 7 ASP HA . 31162 1 48 . 1 . 1 7 7 ASP HB2 H 1 2.857 . . 2 . . . . A 7 ASP HB2 . 31162 1 49 . 1 . 1 7 7 ASP HB3 H 1 2.680 . . 2 . . . . A 7 ASP HB3 . 31162 1 50 . 1 . 1 8 8 ALA H H 1 7.825 . . 1 . . . . A 8 ALA H . 31162 1 51 . 1 . 1 8 8 ALA HA H 1 4.069 . . 1 . . . . A 8 ALA HA . 31162 1 52 . 1 . 1 8 8 ALA HB1 H 1 1.338 . . 1 . . . . A 8 ALA HB1 . 31162 1 53 . 1 . 1 8 8 ALA HB2 H 1 1.338 . . 1 . . . . A 8 ALA HB2 . 31162 1 54 . 1 . 1 8 8 ALA HB3 H 1 1.338 . . 1 . . . . A 8 ALA HB3 . 31162 1 55 . 1 . 1 9 9 BIL H H 1 7.846 . . 1 . . . . A 9 BIL H . 31162 1 56 . 1 . 1 9 9 BIL H1D1 H 1 1.006 . . 1 . . . . A 9 BIL H1D1 . 31162 1 57 . 1 . 1 9 9 BIL H1D2 H 1 0.686 . . 1 . . . . A 9 BIL H1D2 . 31162 1 58 . 1 . 1 9 9 BIL H1E1 H 1 0.183 . . 1 . . . . A 9 BIL H1E1 . 31162 1 59 . 1 . 1 9 9 BIL H2D1 H 1 1.548 . . 1 . . . . A 9 BIL H2D1 . 31162 1 60 . 1 . 1 9 9 BIL HA H 1 2.293 . . 1 . . . . A 9 BIL HA . 31162 1 61 . 1 . 1 9 9 BIL HAA H 1 2.347 . . 1 . . . . A 9 BIL HAA . 31162 1 62 . 1 . 1 9 9 BIL HB H 1 4.026 . . 1 . . . . A 9 BIL HB . 31162 1 63 . 1 . 1 9 9 BIL HG H 1 1.510 . . 1 . . . . A 9 BIL HG . 31162 1 64 . 1 . 1 10 10 ALA H H 1 7.914 . . 1 . . . . A 10 ALA H . 31162 1 65 . 1 . 1 10 10 ALA HA H 1 4.014 . . 1 . . . . A 10 ALA HA . 31162 1 66 . 1 . 1 10 10 ALA HB1 H 1 1.575 . . 1 . . . . A 10 ALA HB1 . 31162 1 67 . 1 . 1 10 10 ALA HB2 H 1 1.575 . . 1 . . . . A 10 ALA HB2 . 31162 1 68 . 1 . 1 10 10 ALA HB3 H 1 1.575 . . 1 . . . . A 10 ALA HB3 . 31162 1 69 . 1 . 1 11 11 GLU H H 1 8.122 . . 1 . . . . A 11 GLU H . 31162 1 70 . 1 . 1 11 11 GLU HA H 1 4.085 . . 1 . . . . A 11 GLU HA . 31162 1 71 . 1 . 1 11 11 GLU HB2 H 1 2.215 . . 2 . . . . A 11 GLU HB2 . 31162 1 72 . 1 . 1 11 11 GLU HB3 H 1 2.114 . . 2 . . . . A 11 GLU HB3 . 31162 1 73 . 1 . 1 11 11 GLU HG2 H 1 2.398 . . 2 . . . . A 11 GLU HG2 . 31162 1 74 . 1 . 1 11 11 GLU HG3 H 1 2.398 . . 2 . . . . A 11 GLU HG3 . 31162 1 75 . 1 . 1 12 12 LEU H H 1 8.575 . . 1 . . . . A 12 LEU H . 31162 1 76 . 1 . 1 12 12 LEU HA H 1 4.030 . . 1 . . . . A 12 LEU HA . 31162 1 77 . 1 . 1 12 12 LEU HB2 H 1 1.574 . . 2 . . . . A 12 LEU HB2 . 31162 1 78 . 1 . 1 12 12 LEU HB3 H 1 1.574 . . 2 . . . . A 12 LEU HB3 . 31162 1 79 . 1 . 1 12 12 LEU HG H 1 1.727 . . 1 . . . . A 12 LEU HG . 31162 1 80 . 1 . 1 12 12 LEU HD11 H 1 0.695 . . 2 . . . . A 12 LEU HD11 . 31162 1 81 . 1 . 1 12 12 LEU HD12 H 1 0.695 . . 2 . . . . A 12 LEU HD12 . 31162 1 82 . 1 . 1 12 12 LEU HD13 H 1 0.695 . . 2 . . . . A 12 LEU HD13 . 31162 1 83 . 1 . 1 12 12 LEU HD21 H 1 0.695 . . 2 . . . . A 12 LEU HD21 . 31162 1 84 . 1 . 1 12 12 LEU HD22 H 1 0.695 . . 2 . . . . A 12 LEU HD22 . 31162 1 85 . 1 . 1 12 12 LEU HD23 H 1 0.695 . . 2 . . . . A 12 LEU HD23 . 31162 1 86 . 1 . 1 13 13 XCP H H 1 7.857 . . 1 . . . . A 13 XCP H . 31162 1 87 . 1 . 1 13 13 XCP HA H 1 2.688 . . 1 . . . . A 13 XCP HA . 31162 1 88 . 1 . 1 13 13 XCP HB H 1 4.327 . . 1 . . . . A 13 XCP HB . 31162 1 89 . 1 . 1 13 13 XCP HD H 1 1.714 . . 1 . . . . A 13 XCP HD . 31162 1 90 . 1 . 1 13 13 XCP HDA H 1 1.776 . . 1 . . . . A 13 XCP HDA . 31162 1 91 . 1 . 1 13 13 XCP HE H 1 1.827 . . 1 . . . . A 13 XCP HE . 31162 1 92 . 1 . 1 13 13 XCP HEA H 1 1.945 . . 1 . . . . A 13 XCP HEA . 31162 1 93 . 1 . 1 13 13 XCP HG H 1 1.967 . . 1 . . . . A 13 XCP HG . 31162 1 94 . 1 . 1 13 13 XCP HGA H 1 2.183 . . 1 . . . . A 13 XCP HGA . 31162 1 95 . 1 . 1 14 14 LYS H H 1 8.273 . . 1 . . . . A 14 LYS H . 31162 1 96 . 1 . 1 14 14 LYS HA H 1 3.928 . . 1 . . . . A 14 LYS HA . 31162 1 97 . 1 . 1 14 14 LYS HB2 H 1 1.982 . . 2 . . . . A 14 LYS HB2 . 31162 1 98 . 1 . 1 14 14 LYS HB3 H 1 1.982 . . 2 . . . . A 14 LYS HB3 . 31162 1 99 . 1 . 1 14 14 LYS HG2 H 1 1.594 . . 2 . . . . A 14 LYS HG2 . 31162 1 100 . 1 . 1 14 14 LYS HG3 H 1 1.488 . . 2 . . . . A 14 LYS HG3 . 31162 1 101 . 1 . 1 14 14 LYS HD2 H 1 1.724 . . 2 . . . . A 14 LYS HD2 . 31162 1 102 . 1 . 1 14 14 LYS HD3 H 1 1.724 . . 2 . . . . A 14 LYS HD3 . 31162 1 103 . 1 . 1 14 14 LYS HE2 H 1 2.968 . . 2 . . . . A 14 LYS HE2 . 31162 1 104 . 1 . 1 14 14 LYS HE3 H 1 2.968 . . 2 . . . . A 14 LYS HE3 . 31162 1 105 . 1 . 1 15 15 ALA H H 1 7.606 . . 1 . . . . A 15 ALA H . 31162 1 106 . 1 . 1 15 15 ALA HA H 1 4.378 . . 1 . . . . A 15 ALA HA . 31162 1 107 . 1 . 1 15 15 ALA HB1 H 1 1.540 . . 1 . . . . A 15 ALA HB1 . 31162 1 108 . 1 . 1 15 15 ALA HB2 H 1 1.540 . . 1 . . . . A 15 ALA HB2 . 31162 1 109 . 1 . 1 15 15 ALA HB3 H 1 1.540 . . 1 . . . . A 15 ALA HB3 . 31162 1 110 . 1 . 1 16 16 GLY H H 1 7.917 . . 1 . . . . A 16 GLY H . 31162 1 111 . 1 . 1 16 16 GLY HA2 H 1 3.984 . . 2 . . . . A 16 GLY HA2 . 31162 1 112 . 1 . 1 16 16 GLY HA3 H 1 3.878 . . 2 . . . . A 16 GLY HA3 . 31162 1 113 . 1 . 1 17 17 ILE H H 1 8.548 . . 1 . . . . A 17 ILE H . 31162 1 114 . 1 . 1 17 17 ILE HA H 1 3.939 . . 1 . . . . A 17 ILE HA . 31162 1 115 . 1 . 1 17 17 ILE HB H 1 1.722 . . 1 . . . . A 17 ILE HB . 31162 1 116 . 1 . 1 17 17 ILE HG12 H 1 1.542 . . 2 . . . . A 17 ILE HG12 . 31162 1 117 . 1 . 1 17 17 ILE HG13 H 1 1.249 . . 2 . . . . A 17 ILE HG13 . 31162 1 118 . 1 . 1 17 17 ILE HG21 H 1 0.808 . . 1 . . . . A 17 ILE HG21 . 31162 1 119 . 1 . 1 17 17 ILE HG22 H 1 0.808 . . 1 . . . . A 17 ILE HG22 . 31162 1 120 . 1 . 1 17 17 ILE HG23 H 1 0.808 . . 1 . . . . A 17 ILE HG23 . 31162 1 121 . 1 . 1 17 17 ILE HD11 H 1 0.603 . . 1 . . . . A 17 ILE HD11 . 31162 1 122 . 1 . 1 17 17 ILE HD12 H 1 0.603 . . 1 . . . . A 17 ILE HD12 . 31162 1 123 . 1 . 1 17 17 ILE HD13 H 1 0.603 . . 1 . . . . A 17 ILE HD13 . 31162 1 124 . 1 . 1 18 18 THR H H 1 8.181 . . 1 . . . . A 18 THR H . 31162 1 125 . 1 . 1 18 18 THR HA H 1 4.339 . . 1 . . . . A 18 THR HA . 31162 1 126 . 1 . 1 18 18 THR HB H 1 4.219 . . 1 . . . . A 18 THR HB . 31162 1 127 . 1 . 1 18 18 THR HG21 H 1 1.096 . . 1 . . . . A 18 THR HG21 . 31162 1 128 . 1 . 1 18 18 THR HG22 H 1 1.096 . . 1 . . . . A 18 THR HG22 . 31162 1 129 . 1 . 1 18 18 THR HG23 H 1 1.096 . . 1 . . . . A 18 THR HG23 . 31162 1 130 . 1 . 1 19 19 SER H H 1 7.747 . . 1 . . . . A 19 SER H . 31162 1 131 . 1 . 1 19 19 SER HA H 1 4.356 . . 1 . . . . A 19 SER HA . 31162 1 132 . 1 . 1 19 19 SER HB2 H 1 4.083 . . 2 . . . . A 19 SER HB2 . 31162 1 133 . 1 . 1 19 19 SER HB3 H 1 3.773 . . 2 . . . . A 19 SER HB3 . 31162 1 134 . 1 . 1 20 20 ASP H H 1 8.906 . . 1 . . . . A 20 ASP H . 31162 1 135 . 1 . 1 20 20 ASP HA H 1 4.378 . . 1 . . . . A 20 ASP HA . 31162 1 136 . 1 . 1 20 20 ASP HB2 H 1 2.644 . . 2 . . . . A 20 ASP HB2 . 31162 1 137 . 1 . 1 20 20 ASP HB3 H 1 2.644 . . 2 . . . . A 20 ASP HB3 . 31162 1 138 . 1 . 1 21 21 PHE H H 1 8.482 . . 1 . . . . A 21 PHE H . 31162 1 139 . 1 . 1 21 21 PHE HA H 1 4.149 . . 1 . . . . A 21 PHE HA . 31162 1 140 . 1 . 1 21 21 PHE HB2 H 1 3.179 . . 2 . . . . A 21 PHE HB2 . 31162 1 141 . 1 . 1 21 21 PHE HB3 H 1 2.669 . . 2 . . . . A 21 PHE HB3 . 31162 1 142 . 1 . 1 21 21 PHE HD1 H 1 6.688 . . 3 . . . . A 21 PHE HD1 . 31162 1 143 . 1 . 1 21 21 PHE HD2 H 1 6.688 . . 3 . . . . A 21 PHE HD2 . 31162 1 144 . 1 . 1 21 21 PHE HE1 H 1 7.104 . . 3 . . . . A 21 PHE HE1 . 31162 1 145 . 1 . 1 21 21 PHE HE2 H 1 7.104 . . 3 . . . . A 21 PHE HE2 . 31162 1 146 . 1 . 1 21 21 PHE HZ H 1 7.191 . . 1 . . . . A 21 PHE HZ . 31162 1 147 . 1 . 1 22 22 TYR H H 1 8.110 . . 1 . . . . A 22 TYR H . 31162 1 148 . 1 . 1 22 22 TYR HA H 1 4.206 . . 1 . . . . A 22 TYR HA . 31162 1 149 . 1 . 1 22 22 TYR HB2 H 1 2.962 . . 2 . . . . A 22 TYR HB2 . 31162 1 150 . 1 . 1 22 22 TYR HB3 H 1 2.895 . . 2 . . . . A 22 TYR HB3 . 31162 1 151 . 1 . 1 22 22 TYR HD1 H 1 7.155 . . 3 . . . . A 22 TYR HD1 . 31162 1 152 . 1 . 1 22 22 TYR HD2 H 1 7.155 . . 3 . . . . A 22 TYR HD2 . 31162 1 153 . 1 . 1 22 22 TYR HE1 H 1 6.955 . . 3 . . . . A 22 TYR HE1 . 31162 1 154 . 1 . 1 22 22 TYR HE2 H 1 6.955 . . 3 . . . . A 22 TYR HE2 . 31162 1 155 . 1 . 1 23 23 PHE H H 1 8.524 . . 1 . . . . A 23 PHE H . 31162 1 156 . 1 . 1 23 23 PHE HA H 1 4.206 . . 1 . . . . A 23 PHE HA . 31162 1 157 . 1 . 1 23 23 PHE HB2 H 1 3.359 . . 2 . . . . A 23 PHE HB2 . 31162 1 158 . 1 . 1 23 23 PHE HB3 H 1 3.054 . . 2 . . . . A 23 PHE HB3 . 31162 1 159 . 1 . 1 23 23 PHE HD1 H 1 7.313 . . 3 . . . . A 23 PHE HD1 . 31162 1 160 . 1 . 1 23 23 PHE HD2 H 1 7.313 . . 3 . . . . A 23 PHE HD2 . 31162 1 161 . 1 . 1 23 23 PHE HE1 H 1 7.302 . . 3 . . . . A 23 PHE HE1 . 31162 1 162 . 1 . 1 23 23 PHE HE2 H 1 7.302 . . 3 . . . . A 23 PHE HE2 . 31162 1 163 . 1 . 1 23 23 PHE HZ H 1 7.305 . . 1 . . . . A 23 PHE HZ . 31162 1 164 . 1 . 1 24 24 ASN H H 1 8.362 . . 1 . . . . A 24 ASN H . 31162 1 165 . 1 . 1 24 24 ASN HA H 1 4.415 . . 1 . . . . A 24 ASN HA . 31162 1 166 . 1 . 1 24 24 ASN HB2 H 1 2.809 . . 2 . . . . A 24 ASN HB2 . 31162 1 167 . 1 . 1 24 24 ASN HB3 H 1 2.660 . . 2 . . . . A 24 ASN HB3 . 31162 1 168 . 1 . 1 24 24 ASN HD21 H 1 7.036 . . 2 . . . . A 24 ASN HD21 . 31162 1 169 . 1 . 1 24 24 ASN HD22 H 1 7.762 . . 2 . . . . A 24 ASN HD22 . 31162 1 170 . 1 . 1 25 25 ALA H H 1 7.817 . . 1 . . . . A 25 ALA H . 31162 1 171 . 1 . 1 25 25 ALA HA H 1 3.868 . . 1 . . . . A 25 ALA HA . 31162 1 172 . 1 . 1 25 25 ALA HB1 H 1 1.260 . . 1 . . . . A 25 ALA HB1 . 31162 1 173 . 1 . 1 25 25 ALA HB2 H 1 1.260 . . 1 . . . . A 25 ALA HB2 . 31162 1 174 . 1 . 1 25 25 ALA HB3 H 1 1.260 . . 1 . . . . A 25 ALA HB3 . 31162 1 175 . 1 . 1 26 26 ILE H H 1 8.195 . . 1 . . . . A 26 ILE H . 31162 1 176 . 1 . 1 26 26 ILE HA H 1 3.632 . . 1 . . . . A 26 ILE HA . 31162 1 177 . 1 . 1 26 26 ILE HB H 1 1.981 . . 1 . . . . A 26 ILE HB . 31162 1 178 . 1 . 1 26 26 ILE HG12 H 1 1.802 . . 2 . . . . A 26 ILE HG12 . 31162 1 179 . 1 . 1 26 26 ILE HG13 H 1 1.115 . . 2 . . . . A 26 ILE HG13 . 31162 1 180 . 1 . 1 26 26 ILE HG21 H 1 0.851 . . 1 . . . . A 26 ILE HG21 . 31162 1 181 . 1 . 1 26 26 ILE HG22 H 1 0.851 . . 1 . . . . A 26 ILE HG22 . 31162 1 182 . 1 . 1 26 26 ILE HG23 H 1 0.851 . . 1 . . . . A 26 ILE HG23 . 31162 1 183 . 1 . 1 26 26 ILE HD11 H 1 0.710 . . 1 . . . . A 26 ILE HD11 . 31162 1 184 . 1 . 1 26 26 ILE HD12 H 1 0.710 . . 1 . . . . A 26 ILE HD12 . 31162 1 185 . 1 . 1 26 26 ILE HD13 H 1 0.710 . . 1 . . . . A 26 ILE HD13 . 31162 1 186 . 1 . 1 27 27 ASN H H 1 8.044 . . 1 . . . . A 27 ASN H . 31162 1 187 . 1 . 1 27 27 ASN HA H 1 4.482 . . 1 . . . . A 27 ASN HA . 31162 1 188 . 1 . 1 27 27 ASN HB2 H 1 2.804 . . 2 . . . . A 27 ASN HB2 . 31162 1 189 . 1 . 1 27 27 ASN HB3 H 1 2.663 . . 2 . . . . A 27 ASN HB3 . 31162 1 190 . 1 . 1 27 27 ASN HD21 H 1 6.601 . . 2 . . . . A 27 ASN HD21 . 31162 1 191 . 1 . 1 27 27 ASN HD22 H 1 7.303 . . 2 . . . . A 27 ASN HD22 . 31162 1 192 . 1 . 1 28 28 LYS H H 1 7.523 . . 1 . . . . A 28 LYS H . 31162 1 193 . 1 . 1 28 28 LYS HA H 1 4.278 . . 1 . . . . A 28 LYS HA . 31162 1 194 . 1 . 1 28 28 LYS HB2 H 1 1.871 . . 2 . . . . A 28 LYS HB2 . 31162 1 195 . 1 . 1 28 28 LYS HB3 H 1 1.722 . . 2 . . . . A 28 LYS HB3 . 31162 1 196 . 1 . 1 28 28 LYS HG2 H 1 1.469 . . 2 . . . . A 28 LYS HG2 . 31162 1 197 . 1 . 1 28 28 LYS HG3 H 1 1.469 . . 2 . . . . A 28 LYS HG3 . 31162 1 198 . 1 . 1 28 28 LYS HD2 H 1 1.575 . . 2 . . . . A 28 LYS HD2 . 31162 1 199 . 1 . 1 28 28 LYS HD3 H 1 1.575 . . 2 . . . . A 28 LYS HD3 . 31162 1 200 . 1 . 1 28 28 LYS HE2 H 1 2.922 . . 2 . . . . A 28 LYS HE2 . 31162 1 201 . 1 . 1 28 28 LYS HE3 H 1 2.922 . . 2 . . . . A 28 LYS HE3 . 31162 1 202 . 1 . 1 29 29 ALA H H 1 7.288 . . 1 . . . . A 29 ALA H . 31162 1 203 . 1 . 1 29 29 ALA HA H 1 4.178 . . 1 . . . . A 29 ALA HA . 31162 1 204 . 1 . 1 29 29 ALA HB1 H 1 1.433 . . 1 . . . . A 29 ALA HB1 . 31162 1 205 . 1 . 1 29 29 ALA HB2 H 1 1.433 . . 1 . . . . A 29 ALA HB2 . 31162 1 206 . 1 . 1 29 29 ALA HB3 H 1 1.433 . . 1 . . . . A 29 ALA HB3 . 31162 1 207 . 1 . 1 30 30 LYS H H 1 8.840 . . 1 . . . . A 30 LYS H . 31162 1 208 . 1 . 1 30 30 LYS HA H 1 4.329 . . 1 . . . . A 30 LYS HA . 31162 1 209 . 1 . 1 30 30 LYS HB2 H 1 2.001 . . 2 . . . . A 30 LYS HB2 . 31162 1 210 . 1 . 1 30 30 LYS HB3 H 1 1.958 . . 2 . . . . A 30 LYS HB3 . 31162 1 211 . 1 . 1 30 30 LYS HG2 H 1 1.674 . . 2 . . . . A 30 LYS HG2 . 31162 1 212 . 1 . 1 30 30 LYS HG3 H 1 1.537 . . 2 . . . . A 30 LYS HG3 . 31162 1 213 . 1 . 1 30 30 LYS HD2 H 1 1.729 . . 2 . . . . A 30 LYS HD2 . 31162 1 214 . 1 . 1 30 30 LYS HD3 H 1 1.729 . . 2 . . . . A 30 LYS HD3 . 31162 1 215 . 1 . 1 30 30 LYS HE2 H 1 3.057 . . 2 . . . . A 30 LYS HE2 . 31162 1 216 . 1 . 1 30 30 LYS HE3 H 1 3.057 . . 2 . . . . A 30 LYS HE3 . 31162 1 217 . 1 . 1 31 31 THR H H 1 7.453 . . 1 . . . . A 31 THR H . 31162 1 218 . 1 . 1 31 31 THR HA H 1 4.851 . . 1 . . . . A 31 THR HA . 31162 1 219 . 1 . 1 31 31 THR HB H 1 4.701 . . 1 . . . . A 31 THR HB . 31162 1 220 . 1 . 1 31 31 THR HG21 H 1 1.250 . . 1 . . . . A 31 THR HG21 . 31162 1 221 . 1 . 1 31 31 THR HG22 H 1 1.250 . . 1 . . . . A 31 THR HG22 . 31162 1 222 . 1 . 1 31 31 THR HG23 H 1 1.250 . . 1 . . . . A 31 THR HG23 . 31162 1 223 . 1 . 1 32 32 VAL H H 1 8.932 . . 1 . . . . A 32 VAL H . 31162 1 224 . 1 . 1 32 32 VAL HA H 1 3.597 . . 1 . . . . A 32 VAL HA . 31162 1 225 . 1 . 1 32 32 VAL HB H 1 2.041 . . 1 . . . . A 32 VAL HB . 31162 1 226 . 1 . 1 32 32 VAL HG11 H 1 0.949 . . 2 . . . . A 32 VAL HG11 . 31162 1 227 . 1 . 1 32 32 VAL HG12 H 1 0.949 . . 2 . . . . A 32 VAL HG12 . 31162 1 228 . 1 . 1 32 32 VAL HG13 H 1 0.949 . . 2 . . . . A 32 VAL HG13 . 31162 1 229 . 1 . 1 32 32 VAL HG21 H 1 1.055 . . 2 . . . . A 32 VAL HG21 . 31162 1 230 . 1 . 1 32 32 VAL HG22 H 1 1.055 . . 2 . . . . A 32 VAL HG22 . 31162 1 231 . 1 . 1 32 32 VAL HG23 H 1 1.055 . . 2 . . . . A 32 VAL HG23 . 31162 1 232 . 1 . 1 33 33 GLU H H 1 8.773 . . 1 . . . . A 33 GLU H . 31162 1 233 . 1 . 1 33 33 GLU HA H 1 4.050 . . 1 . . . . A 33 GLU HA . 31162 1 234 . 1 . 1 33 33 GLU HB2 H 1 2.117 . . 2 . . . . A 33 GLU HB2 . 31162 1 235 . 1 . 1 33 33 GLU HB3 H 1 1.950 . . 2 . . . . A 33 GLU HB3 . 31162 1 236 . 1 . 1 33 33 GLU HG2 H 1 2.488 . . 2 . . . . A 33 GLU HG2 . 31162 1 237 . 1 . 1 33 33 GLU HG3 H 1 2.488 . . 2 . . . . A 33 GLU HG3 . 31162 1 238 . 1 . 1 34 34 GLU H H 1 7.960 . . 1 . . . . A 34 GLU H . 31162 1 239 . 1 . 1 34 34 GLU HA H 1 4.123 . . 1 . . . . A 34 GLU HA . 31162 1 240 . 1 . 1 34 34 GLU HB2 H 1 2.214 . . 2 . . . . A 34 GLU HB2 . 31162 1 241 . 1 . 1 34 34 GLU HB3 H 1 2.132 . . 2 . . . . A 34 GLU HB3 . 31162 1 242 . 1 . 1 34 34 GLU HG2 H 1 2.413 . . 2 . . . . A 34 GLU HG2 . 31162 1 243 . 1 . 1 34 34 GLU HG3 H 1 2.273 . . 2 . . . . A 34 GLU HG3 . 31162 1 244 . 1 . 1 35 35 VAL H H 1 8.011 . . 1 . . . . A 35 VAL H . 31162 1 245 . 1 . 1 35 35 VAL HA H 1 3.345 . . 1 . . . . A 35 VAL HA . 31162 1 246 . 1 . 1 35 35 VAL HB H 1 2.288 . . 1 . . . . A 35 VAL HB . 31162 1 247 . 1 . 1 35 35 VAL HG11 H 1 0.799 . . 2 . . . . A 35 VAL HG11 . 31162 1 248 . 1 . 1 35 35 VAL HG12 H 1 0.799 . . 2 . . . . A 35 VAL HG12 . 31162 1 249 . 1 . 1 35 35 VAL HG13 H 1 0.799 . . 2 . . . . A 35 VAL HG13 . 31162 1 250 . 1 . 1 35 35 VAL HG21 H 1 1.068 . . 2 . . . . A 35 VAL HG21 . 31162 1 251 . 1 . 1 35 35 VAL HG22 H 1 1.068 . . 2 . . . . A 35 VAL HG22 . 31162 1 252 . 1 . 1 35 35 VAL HG23 H 1 1.068 . . 2 . . . . A 35 VAL HG23 . 31162 1 253 . 1 . 1 36 36 ASN H H 1 8.520 . . 1 . . . . A 36 ASN H . 31162 1 254 . 1 . 1 36 36 ASN HA H 1 4.349 . . 1 . . . . A 36 ASN HA . 31162 1 255 . 1 . 1 36 36 ASN HB2 H 1 2.807 . . 2 . . . . A 36 ASN HB2 . 31162 1 256 . 1 . 1 36 36 ASN HB3 H 1 2.743 . . 2 . . . . A 36 ASN HB3 . 31162 1 257 . 1 . 1 36 36 ASN HD21 H 1 6.974 . . 2 . . . . A 36 ASN HD21 . 31162 1 258 . 1 . 1 36 36 ASN HD22 H 1 7.637 . . 2 . . . . A 36 ASN HD22 . 31162 1 259 . 1 . 1 37 37 ALA H H 1 8.140 . . 1 . . . . A 37 ALA H . 31162 1 260 . 1 . 1 37 37 ALA HA H 1 4.203 . . 1 . . . . A 37 ALA HA . 31162 1 261 . 1 . 1 37 37 ALA HB1 H 1 1.544 . . 1 . . . . A 37 ALA HB1 . 31162 1 262 . 1 . 1 37 37 ALA HB2 H 1 1.544 . . 1 . . . . A 37 ALA HB2 . 31162 1 263 . 1 . 1 37 37 ALA HB3 H 1 1.544 . . 1 . . . . A 37 ALA HB3 . 31162 1 264 . 1 . 1 38 38 LEU H H 1 8.154 . . 1 . . . . A 38 LEU H . 31162 1 265 . 1 . 1 38 38 LEU HA H 1 4.167 . . 1 . . . . A 38 LEU HA . 31162 1 266 . 1 . 1 38 38 LEU HB2 H 1 2.005 . . 2 . . . . A 38 LEU HB2 . 31162 1 267 . 1 . 1 38 38 LEU HB3 H 1 1.384 . . 2 . . . . A 38 LEU HB3 . 31162 1 268 . 1 . 1 38 38 LEU HG H 1 1.867 . . 1 . . . . A 38 LEU HG . 31162 1 269 . 1 . 1 38 38 LEU HD11 H 1 0.826 . . 2 . . . . A 38 LEU HD11 . 31162 1 270 . 1 . 1 38 38 LEU HD12 H 1 0.826 . . 2 . . . . A 38 LEU HD12 . 31162 1 271 . 1 . 1 38 38 LEU HD13 H 1 0.826 . . 2 . . . . A 38 LEU HD13 . 31162 1 272 . 1 . 1 38 38 LEU HD21 H 1 0.933 . . 2 . . . . A 38 LEU HD21 . 31162 1 273 . 1 . 1 38 38 LEU HD22 H 1 0.933 . . 2 . . . . A 38 LEU HD22 . 31162 1 274 . 1 . 1 38 38 LEU HD23 H 1 0.933 . . 2 . . . . A 38 LEU HD23 . 31162 1 275 . 1 . 1 39 39 LYS H H 1 8.665 . . 1 . . . . A 39 LYS H . 31162 1 276 . 1 . 1 39 39 LYS HA H 1 3.779 . . 1 . . . . A 39 LYS HA . 31162 1 277 . 1 . 1 39 39 LYS HB2 H 1 1.897 . . 2 . . . . A 39 LYS HB2 . 31162 1 278 . 1 . 1 39 39 LYS HB3 H 1 1.782 . . 2 . . . . A 39 LYS HB3 . 31162 1 279 . 1 . 1 39 39 LYS HG2 H 1 1.486 . . 2 . . . . A 39 LYS HG2 . 31162 1 280 . 1 . 1 39 39 LYS HG3 H 1 1.346 . . 2 . . . . A 39 LYS HG3 . 31162 1 281 . 1 . 1 39 39 LYS HD2 H 1 1.674 . . 2 . . . . A 39 LYS HD2 . 31162 1 282 . 1 . 1 39 39 LYS HD3 H 1 1.512 . . 2 . . . . A 39 LYS HD3 . 31162 1 283 . 1 . 1 39 39 LYS HE2 H 1 2.947 . . 2 . . . . A 39 LYS HE2 . 31162 1 284 . 1 . 1 39 39 LYS HE3 H 1 2.829 . . 2 . . . . A 39 LYS HE3 . 31162 1 285 . 1 . 1 40 40 ASN H H 1 8.216 . . 1 . . . . A 40 ASN H . 31162 1 286 . 1 . 1 40 40 ASN HA H 1 4.466 . . 1 . . . . A 40 ASN HA . 31162 1 287 . 1 . 1 40 40 ASN HB2 H 1 2.896 . . 2 . . . . A 40 ASN HB2 . 31162 1 288 . 1 . 1 40 40 ASN HB3 H 1 2.754 . . 2 . . . . A 40 ASN HB3 . 31162 1 289 . 1 . 1 40 40 ASN HD21 H 1 6.979 . . 2 . . . . A 40 ASN HD21 . 31162 1 290 . 1 . 1 40 40 ASN HD22 H 1 7.578 . . 2 . . . . A 40 ASN HD22 . 31162 1 291 . 1 . 1 41 41 GLU H H 1 7.951 . . 1 . . . . A 41 GLU H . 31162 1 292 . 1 . 1 41 41 GLU HA H 1 4.079 . . 1 . . . . A 41 GLU HA . 31162 1 293 . 1 . 1 41 41 GLU HB2 H 1 2.298 . . 2 . . . . A 41 GLU HB2 . 31162 1 294 . 1 . 1 41 41 GLU HB3 H 1 2.298 . . 2 . . . . A 41 GLU HB3 . 31162 1 295 . 1 . 1 41 41 GLU HG2 H 1 2.410 . . 2 . . . . A 41 GLU HG2 . 31162 1 296 . 1 . 1 41 41 GLU HG3 H 1 2.410 . . 2 . . . . A 41 GLU HG3 . 31162 1 297 . 1 . 1 42 42 ILE H H 1 7.976 . . 1 . . . . A 42 ILE H . 31162 1 298 . 1 . 1 42 42 ILE HA H 1 3.903 . . 1 . . . . A 42 ILE HA . 31162 1 299 . 1 . 1 42 42 ILE HG12 H 1 1.085 . . 2 . . . . A 42 ILE HG12 . 31162 1 300 . 1 . 1 42 42 ILE HG13 H 1 0.938 . . 2 . . . . A 42 ILE HG13 . 31162 1 301 . 1 . 1 42 42 ILE HG21 H 1 0.708 . . 1 . . . . A 42 ILE HG21 . 31162 1 302 . 1 . 1 42 42 ILE HG22 H 1 0.708 . . 1 . . . . A 42 ILE HG22 . 31162 1 303 . 1 . 1 42 42 ILE HG23 H 1 0.708 . . 1 . . . . A 42 ILE HG23 . 31162 1 304 . 1 . 1 42 42 ILE HD11 H 1 0.791 . . 1 . . . . A 42 ILE HD11 . 31162 1 305 . 1 . 1 42 42 ILE HD12 H 1 0.791 . . 1 . . . . A 42 ILE HD12 . 31162 1 306 . 1 . 1 42 42 ILE HD13 H 1 0.791 . . 1 . . . . A 42 ILE HD13 . 31162 1 307 . 1 . 1 43 43 LEU H H 1 8.233 . . 1 . . . . A 43 LEU H . 31162 1 308 . 1 . 1 43 43 LEU HA H 1 4.012 . . 1 . . . . A 43 LEU HA . 31162 1 309 . 1 . 1 43 43 LEU HB2 H 1 1.874 . . 2 . . . . A 43 LEU HB2 . 31162 1 310 . 1 . 1 43 43 LEU HB3 H 1 1.481 . . 2 . . . . A 43 LEU HB3 . 31162 1 311 . 1 . 1 43 43 LEU HG H 1 1.707 . . 1 . . . . A 43 LEU HG . 31162 1 312 . 1 . 1 43 43 LEU HD11 H 1 0.792 . . 2 . . . . A 43 LEU HD11 . 31162 1 313 . 1 . 1 43 43 LEU HD12 H 1 0.792 . . 2 . . . . A 43 LEU HD12 . 31162 1 314 . 1 . 1 43 43 LEU HD13 H 1 0.792 . . 2 . . . . A 43 LEU HD13 . 31162 1 315 . 1 . 1 43 43 LEU HD21 H 1 0.842 . . 2 . . . . A 43 LEU HD21 . 31162 1 316 . 1 . 1 43 43 LEU HD22 H 1 0.842 . . 2 . . . . A 43 LEU HD22 . 31162 1 317 . 1 . 1 43 43 LEU HD23 H 1 0.842 . . 2 . . . . A 43 LEU HD23 . 31162 1 318 . 1 . 1 44 44 LYS H H 1 7.952 . . 1 . . . . A 44 LYS H . 31162 1 319 . 1 . 1 44 44 LYS HA H 1 4.100 . . 1 . . . . A 44 LYS HA . 31162 1 320 . 1 . 1 44 44 LYS HB2 H 1 1.905 . . 2 . . . . A 44 LYS HB2 . 31162 1 321 . 1 . 1 44 44 LYS HB3 H 1 1.905 . . 2 . . . . A 44 LYS HB3 . 31162 1 322 . 1 . 1 44 44 LYS HG2 H 1 1.544 . . 2 . . . . A 44 LYS HG2 . 31162 1 323 . 1 . 1 44 44 LYS HG3 H 1 1.544 . . 2 . . . . A 44 LYS HG3 . 31162 1 324 . 1 . 1 44 44 LYS HD2 H 1 1.678 . . 2 . . . . A 44 LYS HD2 . 31162 1 325 . 1 . 1 44 44 LYS HD3 H 1 1.678 . . 2 . . . . A 44 LYS HD3 . 31162 1 326 . 1 . 1 44 44 LYS HE2 H 1 2.961 . . 2 . . . . A 44 LYS HE2 . 31162 1 327 . 1 . 1 44 44 LYS HE3 H 1 2.961 . . 2 . . . . A 44 LYS HE3 . 31162 1 328 . 1 . 1 45 45 ALA H H 1 7.872 . . 1 . . . . A 45 ALA H . 31162 1 329 . 1 . 1 45 45 ALA HA H 1 4.206 . . 1 . . . . A 45 ALA HA . 31162 1 330 . 1 . 1 45 45 ALA HB1 H 1 1.484 . . 1 . . . . A 45 ALA HB1 . 31162 1 331 . 1 . 1 45 45 ALA HB2 H 1 1.484 . . 1 . . . . A 45 ALA HB2 . 31162 1 332 . 1 . 1 45 45 ALA HB3 H 1 1.484 . . 1 . . . . A 45 ALA HB3 . 31162 1 333 . 1 . 1 46 46 HIS H H 1 8.204 . . 1 . . . . A 46 HIS H . 31162 1 334 . 1 . 1 46 46 HIS HA H 1 4.522 . . 1 . . . . A 46 HIS HA . 31162 1 335 . 1 . 1 46 46 HIS HB2 H 1 3.378 . . 2 . . . . A 46 HIS HB2 . 31162 1 336 . 1 . 1 46 46 HIS HB3 H 1 3.119 . . 2 . . . . A 46 HIS HB3 . 31162 1 337 . 1 . 1 46 46 HIS HD2 H 1 7.388 . . 1 . . . . A 46 HIS HD2 . 31162 1 338 . 1 . 1 46 46 HIS HE1 H 1 8.495 . . 1 . . . . A 46 HIS HE1 . 31162 1 339 . 1 . 1 47 47 ALA H H 1 7.857 . . 1 . . . . A 47 ALA H . 31162 1 340 . 1 . 1 47 47 ALA HA H 1 4.243 . . 1 . . . . A 47 ALA HA . 31162 1 341 . 1 . 1 47 47 ALA HB1 H 1 1.486 . . 1 . . . . A 47 ALA HB1 . 31162 1 342 . 1 . 1 47 47 ALA HB2 H 1 1.486 . . 1 . . . . A 47 ALA HB2 . 31162 1 343 . 1 . 1 47 47 ALA HB3 H 1 1.486 . . 1 . . . . A 47 ALA HB3 . 31162 1 344 . 1 . 1 48 48 NH2 HN1 H 1 7.205 . . 2 . . . . A 48 NH2 HN1 . 31162 1 345 . 1 . 1 48 48 NH2 HN2 H 1 7.387 . . 2 . . . . A 48 NH2 HN2 . 31162 1 stop_ save_