################################### # 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 31161 _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' . . . 31161 1 2 '2D 1H-1H COSY' . . . 31161 1 3 '2D 1H-1H NOESY' . . . 31161 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 4.253 . . 1 . . . . A 1 LEU HA . 31161 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.736 . . 2 . . . . A 1 LEU HB2 . 31161 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.671 . . 2 . . . . A 1 LEU HB3 . 31161 1 4 . 1 . 1 1 1 LEU HG H 1 1.742 . . 1 . . . . A 1 LEU HG . 31161 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.891 . . 2 . . . . A 1 LEU HD11 . 31161 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.891 . . 2 . . . . A 1 LEU HD12 . 31161 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.891 . . 2 . . . . A 1 LEU HD13 . 31161 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.933 . . 2 . . . . A 1 LEU HD21 . 31161 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.933 . . 2 . . . . A 1 LEU HD22 . 31161 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.933 . . 2 . . . . A 1 LEU HD23 . 31161 1 11 . 1 . 1 2 2 LYS H H 1 8.129 . . 1 . . . . A 2 LYS H . 31161 1 12 . 1 . 1 2 2 LYS HA H 1 4.189 . . 1 . . . . A 2 LYS HA . 31161 1 13 . 1 . 1 2 2 LYS HB2 H 1 1.811 . . 2 . . . . A 2 LYS HB2 . 31161 1 14 . 1 . 1 2 2 LYS HB3 H 1 1.811 . . 2 . . . . A 2 LYS HB3 . 31161 1 15 . 1 . 1 2 2 LYS HG2 H 1 1.467 . . 2 . . . . A 2 LYS HG2 . 31161 1 16 . 1 . 1 2 2 LYS HG3 H 1 1.467 . . 2 . . . . A 2 LYS HG3 . 31161 1 17 . 1 . 1 2 2 LYS HD2 H 1 1.685 . . 2 . . . . A 2 LYS HD2 . 31161 1 18 . 1 . 1 2 2 LYS HD3 H 1 1.685 . . 2 . . . . A 2 LYS HD3 . 31161 1 19 . 1 . 1 2 2 LYS HE2 H 1 2.975 . . 2 . . . . A 2 LYS HE2 . 31161 1 20 . 1 . 1 2 2 LYS HE3 H 1 2.975 . . 2 . . . . A 2 LYS HE3 . 31161 1 21 . 1 . 1 3 3 ASN H H 1 8.678 . . 1 . . . . A 3 ASN H . 31161 1 22 . 1 . 1 3 3 ASN HA H 1 4.649 . . 1 . . . . A 3 ASN HA . 31161 1 23 . 1 . 1 3 3 ASN HB2 H 1 2.954 . . 2 . . . . A 3 ASN HB2 . 31161 1 24 . 1 . 1 3 3 ASN HB3 H 1 2.818 . . 2 . . . . A 3 ASN HB3 . 31161 1 25 . 1 . 1 3 3 ASN HD21 H 1 7.082 . . 2 . . . . A 3 ASN HD21 . 31161 1 26 . 1 . 1 3 3 ASN HD22 H 1 7.771 . . 2 . . . . A 3 ASN HD22 . 31161 1 27 . 1 . 1 4 4 ALA H H 1 8.250 . . 1 . . . . A 4 ALA H . 31161 1 28 . 1 . 1 4 4 ALA HA H 1 4.175 . . 1 . . . . A 4 ALA HA . 31161 1 29 . 1 . 1 4 4 ALA HB1 H 1 1.410 . . 1 . . . . A 4 ALA HB1 . 31161 1 30 . 1 . 1 4 4 ALA HB2 H 1 1.410 . . 1 . . . . A 4 ALA HB2 . 31161 1 31 . 1 . 1 4 4 ALA HB3 H 1 1.410 . . 1 . . . . A 4 ALA HB3 . 31161 1 32 . 1 . 1 5 5 LYS H H 1 8.361 . . 1 . . . . A 5 LYS H . 31161 1 33 . 1 . 1 5 5 LYS HA H 1 3.819 . . 1 . . . . A 5 LYS HA . 31161 1 34 . 1 . 1 5 5 LYS HB2 H 1 1.915 . . 2 . . . . A 5 LYS HB2 . 31161 1 35 . 1 . 1 5 5 LYS HB3 H 1 1.761 . . 2 . . . . A 5 LYS HB3 . 31161 1 36 . 1 . 1 5 5 LYS HG2 H 1 1.403 . . 2 . . . . A 5 LYS HG2 . 31161 1 37 . 1 . 1 5 5 LYS HG3 H 1 1.281 . . 2 . . . . A 5 LYS HG3 . 31161 1 38 . 1 . 1 5 5 LYS HD2 H 1 1.806 . . 2 . . . . A 5 LYS HD2 . 31161 1 39 . 1 . 1 5 5 LYS HD3 H 1 1.696 . . 2 . . . . A 5 LYS HD3 . 31161 1 40 . 1 . 1 5 5 LYS HE2 H 1 3.142 . . 2 . . . . A 5 LYS HE2 . 31161 1 41 . 1 . 1 5 5 LYS HE3 H 1 2.774 . . 2 . . . . A 5 LYS HE3 . 31161 1 42 . 1 . 1 6 6 GLU H H 1 8.181 . . 1 . . . . A 6 GLU H . 31161 1 43 . 1 . 1 6 6 GLU HA H 1 3.901 . . 1 . . . . A 6 GLU HA . 31161 1 44 . 1 . 1 6 6 GLU HB2 H 1 2.035 . . 2 . . . . A 6 GLU HB2 . 31161 1 45 . 1 . 1 6 6 GLU HB3 H 1 2.035 . . 2 . . . . A 6 GLU HB3 . 31161 1 46 . 1 . 1 6 6 GLU HG2 H 1 2.415 . . 2 . . . . A 6 GLU HG2 . 31161 1 47 . 1 . 1 6 6 GLU HG3 H 1 2.266 . . 2 . . . . A 6 GLU HG3 . 31161 1 48 . 1 . 1 7 7 ASP H H 1 8.544 . . 1 . . . . A 7 ASP H . 31161 1 49 . 1 . 1 7 7 ASP HA H 1 4.426 . . 1 . . . . A 7 ASP HA . 31161 1 50 . 1 . 1 7 7 ASP HB2 H 1 2.686 . . 2 . . . . A 7 ASP HB2 . 31161 1 51 . 1 . 1 7 7 ASP HB3 H 1 2.686 . . 2 . . . . A 7 ASP HB3 . 31161 1 52 . 1 . 1 8 8 ALA H H 1 8.032 . . 1 . . . . A 8 ALA H . 31161 1 53 . 1 . 1 8 8 ALA HA H 1 4.121 . . 1 . . . . A 8 ALA HA . 31161 1 54 . 1 . 1 8 8 ALA HB1 H 1 1.420 . . 1 . . . . A 8 ALA HB1 . 31161 1 55 . 1 . 1 8 8 ALA HB2 H 1 1.420 . . 1 . . . . A 8 ALA HB2 . 31161 1 56 . 1 . 1 8 8 ALA HB3 H 1 1.420 . . 1 . . . . A 8 ALA HB3 . 31161 1 57 . 1 . 1 9 9 ILE H H 1 8.424 . . 1 . . . . A 9 ILE H . 31161 1 58 . 1 . 1 9 9 ILE HA H 1 3.547 . . 1 . . . . A 9 ILE HA . 31161 1 59 . 1 . 1 9 9 ILE HB H 1 1.834 . . 1 . . . . A 9 ILE HB . 31161 1 60 . 1 . 1 9 9 ILE HG12 H 1 1.786 . . 2 . . . . A 9 ILE HG12 . 31161 1 61 . 1 . 1 9 9 ILE HG13 H 1 1.111 . . 2 . . . . A 9 ILE HG13 . 31161 1 62 . 1 . 1 9 9 ILE HG21 H 1 0.567 . . 1 . . . . A 9 ILE HG21 . 31161 1 63 . 1 . 1 9 9 ILE HG22 H 1 0.567 . . 1 . . . . A 9 ILE HG22 . 31161 1 64 . 1 . 1 9 9 ILE HG23 H 1 0.567 . . 1 . . . . A 9 ILE HG23 . 31161 1 65 . 1 . 1 9 9 ILE HD11 H 1 0.840 . . 1 . . . . A 9 ILE HD11 . 31161 1 66 . 1 . 1 9 9 ILE HD12 H 1 0.840 . . 1 . . . . A 9 ILE HD12 . 31161 1 67 . 1 . 1 9 9 ILE HD13 H 1 0.840 . . 1 . . . . A 9 ILE HD13 . 31161 1 68 . 1 . 1 10 10 ALA H H 1 8.024 . . 1 . . . . A 10 ALA H . 31161 1 69 . 1 . 1 10 10 ALA HA H 1 4.055 . . 1 . . . . A 10 ALA HA . 31161 1 70 . 1 . 1 10 10 ALA HB1 H 1 1.522 . . 1 . . . . A 10 ALA HB1 . 31161 1 71 . 1 . 1 10 10 ALA HB2 H 1 1.522 . . 1 . . . . A 10 ALA HB2 . 31161 1 72 . 1 . 1 10 10 ALA HB3 H 1 1.522 . . 1 . . . . A 10 ALA HB3 . 31161 1 73 . 1 . 1 11 11 GLU H H 1 8.019 . . 1 . . . . A 11 GLU H . 31161 1 74 . 1 . 1 11 11 GLU HA H 1 4.026 . . 1 . . . . A 11 GLU HA . 31161 1 75 . 1 . 1 11 11 GLU HB2 H 1 2.253 . . 2 . . . . A 11 GLU HB2 . 31161 1 76 . 1 . 1 11 11 GLU HB3 H 1 2.123 . . 2 . . . . A 11 GLU HB3 . 31161 1 77 . 1 . 1 11 11 GLU HG2 H 1 2.471 . . 2 . . . . A 11 GLU HG2 . 31161 1 78 . 1 . 1 11 11 GLU HG3 H 1 2.207 . . 2 . . . . A 11 GLU HG3 . 31161 1 79 . 1 . 1 12 12 LEU H H 1 8.465 . . 1 . . . . A 12 LEU H . 31161 1 80 . 1 . 1 12 12 LEU HA H 1 4.039 . . 1 . . . . A 12 LEU HA . 31161 1 81 . 1 . 1 12 12 LEU HB2 H 1 2.370 . . 2 . . . . A 12 LEU HB2 . 31161 1 82 . 1 . 1 12 12 LEU HB3 H 1 1.328 . . 2 . . . . A 12 LEU HB3 . 31161 1 83 . 1 . 1 12 12 LEU HG H 1 2.164 . . 1 . . . . A 12 LEU HG . 31161 1 84 . 1 . 1 12 12 LEU HD11 H 1 0.853 . . 2 . . . . A 12 LEU HD11 . 31161 1 85 . 1 . 1 12 12 LEU HD12 H 1 0.853 . . 2 . . . . A 12 LEU HD12 . 31161 1 86 . 1 . 1 12 12 LEU HD13 H 1 0.853 . . 2 . . . . A 12 LEU HD13 . 31161 1 87 . 1 . 1 12 12 LEU HD21 H 1 0.876 . . 2 . . . . A 12 LEU HD21 . 31161 1 88 . 1 . 1 12 12 LEU HD22 H 1 0.876 . . 2 . . . . A 12 LEU HD22 . 31161 1 89 . 1 . 1 12 12 LEU HD23 H 1 0.876 . . 2 . . . . A 12 LEU HD23 . 31161 1 90 . 1 . 1 13 13 LYS H H 1 8.573 . . 1 . . . . A 13 LYS H . 31161 1 91 . 1 . 1 13 13 LYS HA H 1 4.368 . . 1 . . . . A 13 LYS HA . 31161 1 92 . 1 . 1 13 13 LYS HB2 H 1 1.857 . . 2 . . . . A 13 LYS HB2 . 31161 1 93 . 1 . 1 13 13 LYS HB3 H 1 1.857 . . 2 . . . . A 13 LYS HB3 . 31161 1 94 . 1 . 1 13 13 LYS HG2 H 1 1.408 . . 2 . . . . A 13 LYS HG2 . 31161 1 95 . 1 . 1 13 13 LYS HG3 H 1 1.408 . . 2 . . . . A 13 LYS HG3 . 31161 1 96 . 1 . 1 13 13 LYS HE2 H 1 2.891 . . 2 . . . . A 13 LYS HE2 . 31161 1 97 . 1 . 1 13 13 LYS HE3 H 1 2.891 . . 2 . . . . A 13 LYS HE3 . 31161 1 98 . 1 . 1 14 14 LYS H H 1 8.180 . . 1 . . . . A 14 LYS H . 31161 1 99 . 1 . 1 14 14 LYS HA H 1 4.069 . . 1 . . . . A 14 LYS HA . 31161 1 100 . 1 . 1 14 14 LYS HB2 H 1 1.987 . . 2 . . . . A 14 LYS HB2 . 31161 1 101 . 1 . 1 14 14 LYS HB3 H 1 1.927 . . 2 . . . . A 14 LYS HB3 . 31161 1 102 . 1 . 1 14 14 LYS HG2 H 1 1.474 . . 2 . . . . A 14 LYS HG2 . 31161 1 103 . 1 . 1 14 14 LYS HG3 H 1 1.474 . . 2 . . . . A 14 LYS HG3 . 31161 1 104 . 1 . 1 14 14 LYS HD2 H 1 1.700 . . 2 . . . . A 14 LYS HD2 . 31161 1 105 . 1 . 1 14 14 LYS HD3 H 1 1.700 . . 2 . . . . A 14 LYS HD3 . 31161 1 106 . 1 . 1 14 14 LYS HE2 H 1 2.969 . . 2 . . . . A 14 LYS HE2 . 31161 1 107 . 1 . 1 14 14 LYS HE3 H 1 2.969 . . 2 . . . . A 14 LYS HE3 . 31161 1 108 . 1 . 1 15 15 ALA H H 1 7.587 . . 1 . . . . A 15 ALA H . 31161 1 109 . 1 . 1 15 15 ALA HA H 1 4.375 . . 1 . . . . A 15 ALA HA . 31161 1 110 . 1 . 1 15 15 ALA HB1 H 1 1.519 . . 1 . . . . A 15 ALA HB1 . 31161 1 111 . 1 . 1 15 15 ALA HB2 H 1 1.519 . . 1 . . . . A 15 ALA HB2 . 31161 1 112 . 1 . 1 15 15 ALA HB3 H 1 1.519 . . 1 . . . . A 15 ALA HB3 . 31161 1 113 . 1 . 1 16 16 GLY H H 1 7.787 . . 1 . . . . A 16 GLY H . 31161 1 114 . 1 . 1 16 16 GLY HA2 H 1 4.444 . . 2 . . . . A 16 GLY HA2 . 31161 1 115 . 1 . 1 16 16 GLY HA3 H 1 3.708 . . 2 . . . . A 16 GLY HA3 . 31161 1 116 . 1 . 1 17 17 ILE H H 1 7.843 . . 1 . . . . A 17 ILE H . 31161 1 117 . 1 . 1 17 17 ILE HA H 1 3.856 . . 1 . . . . A 17 ILE HA . 31161 1 118 . 1 . 1 17 17 ILE HB H 1 1.704 . . 1 . . . . A 17 ILE HB . 31161 1 119 . 1 . 1 17 17 ILE HG12 H 1 0.996 . . 2 . . . . A 17 ILE HG12 . 31161 1 120 . 1 . 1 17 17 ILE HG13 H 1 0.996 . . 2 . . . . A 17 ILE HG13 . 31161 1 121 . 1 . 1 17 17 ILE HG21 H 1 0.661 . . 1 . . . . A 17 ILE HG21 . 31161 1 122 . 1 . 1 17 17 ILE HG22 H 1 0.661 . . 1 . . . . A 17 ILE HG22 . 31161 1 123 . 1 . 1 17 17 ILE HG23 H 1 0.661 . . 1 . . . . A 17 ILE HG23 . 31161 1 124 . 1 . 1 17 17 ILE HD11 H 1 0.529 . . 1 . . . . A 17 ILE HD11 . 31161 1 125 . 1 . 1 17 17 ILE HD12 H 1 0.529 . . 1 . . . . A 17 ILE HD12 . 31161 1 126 . 1 . 1 17 17 ILE HD13 H 1 0.529 . . 1 . . . . A 17 ILE HD13 . 31161 1 127 . 1 . 1 18 18 THR H H 1 8.403 . . 1 . . . . A 18 THR H . 31161 1 128 . 1 . 1 18 18 THR HA H 1 4.607 . . 1 . . . . A 18 THR HA . 31161 1 129 . 1 . 1 18 18 THR HB H 1 4.437 . . 1 . . . . A 18 THR HB . 31161 1 130 . 1 . 1 18 18 THR HG21 H 1 1.169 . . 1 . . . . A 18 THR HG21 . 31161 1 131 . 1 . 1 18 18 THR HG22 H 1 1.169 . . 1 . . . . A 18 THR HG22 . 31161 1 132 . 1 . 1 18 18 THR HG23 H 1 1.169 . . 1 . . . . A 18 THR HG23 . 31161 1 133 . 1 . 1 19 19 SER H H 1 7.018 . . 1 . . . . A 19 SER H . 31161 1 134 . 1 . 1 19 19 SER HA H 1 4.292 . . 1 . . . . A 19 SER HA . 31161 1 135 . 1 . 1 19 19 SER HB2 H 1 3.888 . . 2 . . . . A 19 SER HB2 . 31161 1 136 . 1 . 1 19 19 SER HB3 H 1 3.456 . . 2 . . . . A 19 SER HB3 . 31161 1 137 . 1 . 1 20 20 ASP H H 1 8.719 . . 1 . . . . A 20 ASP H . 31161 1 138 . 1 . 1 20 20 ASP HA H 1 4.363 . . 1 . . . . A 20 ASP HA . 31161 1 139 . 1 . 1 20 20 ASP HB2 H 1 2.608 . . 2 . . . . A 20 ASP HB2 . 31161 1 140 . 1 . 1 20 20 ASP HB3 H 1 2.537 . . 2 . . . . A 20 ASP HB3 . 31161 1 141 . 1 . 1 21 21 PHE H H 1 7.854 . . 1 . . . . A 21 PHE H . 31161 1 142 . 1 . 1 21 21 PHE HA H 1 4.246 . . 1 . . . . A 21 PHE HA . 31161 1 143 . 1 . 1 21 21 PHE HB2 H 1 3.079 . . 2 . . . . A 21 PHE HB2 . 31161 1 144 . 1 . 1 21 21 PHE HB3 H 1 2.897 . . 2 . . . . A 21 PHE HB3 . 31161 1 145 . 1 . 1 21 21 PHE HD1 H 1 7.202 . . 3 . . . . A 21 PHE HD1 . 31161 1 146 . 1 . 1 21 21 PHE HD2 H 1 7.202 . . 3 . . . . A 21 PHE HD2 . 31161 1 147 . 1 . 1 21 21 PHE HE1 H 1 7.347 . . 3 . . . . A 21 PHE HE1 . 31161 1 148 . 1 . 1 21 21 PHE HE2 H 1 7.347 . . 3 . . . . A 21 PHE HE2 . 31161 1 149 . 1 . 1 22 22 XCP H H 1 7.211 . . 1 . . . . A 22 XCP H . 31161 1 150 . 1 . 1 22 22 XCP HA H 1 2.518 . . 1 . . . . A 22 XCP HA . 31161 1 151 . 1 . 1 22 22 XCP HB H 1 4.179 . . 1 . . . . A 22 XCP HB . 31161 1 152 . 1 . 1 22 22 XCP HD H 1 1.704 . . 1 . . . . A 22 XCP HD . 31161 1 153 . 1 . 1 22 22 XCP HDA H 1 1.704 . . 1 . . . . A 22 XCP HDA . 31161 1 154 . 1 . 1 22 22 XCP HE H 1 1.464 . . 1 . . . . A 22 XCP HE . 31161 1 155 . 1 . 1 22 22 XCP HEA H 1 1.866 . . 1 . . . . A 22 XCP HEA . 31161 1 156 . 1 . 1 22 22 XCP HG H 1 1.379 . . 1 . . . . A 22 XCP HG . 31161 1 157 . 1 . 1 22 22 XCP HGA H 1 2.051 . . 1 . . . . A 22 XCP HGA . 31161 1 158 . 1 . 1 23 23 PHE H H 1 7.693 . . 1 . . . . A 23 PHE H . 31161 1 159 . 1 . 1 23 23 PHE HA H 1 4.231 . . 1 . . . . A 23 PHE HA . 31161 1 160 . 1 . 1 23 23 PHE HB2 H 1 3.298 . . 2 . . . . A 23 PHE HB2 . 31161 1 161 . 1 . 1 23 23 PHE HB3 H 1 3.136 . . 2 . . . . A 23 PHE HB3 . 31161 1 162 . 1 . 1 23 23 PHE HD1 H 1 7.165 . . 3 . . . . A 23 PHE HD1 . 31161 1 163 . 1 . 1 23 23 PHE HD2 H 1 7.165 . . 3 . . . . A 23 PHE HD2 . 31161 1 164 . 1 . 1 23 23 PHE HE1 H 1 7.130 . . 3 . . . . A 23 PHE HE1 . 31161 1 165 . 1 . 1 23 23 PHE HE2 H 1 7.130 . . 3 . . . . A 23 PHE HE2 . 31161 1 166 . 1 . 1 23 23 PHE HZ H 1 7.226 . . 1 . . . . A 23 PHE HZ . 31161 1 167 . 1 . 1 24 24 ASN H H 1 8.596 . . 1 . . . . A 24 ASN H . 31161 1 168 . 1 . 1 24 24 ASN HA H 1 4.562 . . 1 . . . . A 24 ASN HA . 31161 1 169 . 1 . 1 24 24 ASN HB2 H 1 2.951 . . 2 . . . . A 24 ASN HB2 . 31161 1 170 . 1 . 1 24 24 ASN HB3 H 1 2.770 . . 2 . . . . A 24 ASN HB3 . 31161 1 171 . 1 . 1 24 24 ASN HD21 H 1 7.081 . . 2 . . . . A 24 ASN HD21 . 31161 1 172 . 1 . 1 24 24 ASN HD22 H 1 7.673 . . 2 . . . . A 24 ASN HD22 . 31161 1 173 . 1 . 1 25 25 ALA H H 1 7.368 . . 1 . . . . A 25 ALA H . 31161 1 174 . 1 . 1 25 25 ALA HA H 1 3.974 . . 1 . . . . A 25 ALA HA . 31161 1 175 . 1 . 1 25 25 ALA HB1 H 1 1.421 . . 1 . . . . A 25 ALA HB1 . 31161 1 176 . 1 . 1 25 25 ALA HB2 H 1 1.421 . . 1 . . . . A 25 ALA HB2 . 31161 1 177 . 1 . 1 25 25 ALA HB3 H 1 1.421 . . 1 . . . . A 25 ALA HB3 . 31161 1 178 . 1 . 1 26 26 XCP H H 1 7.100 . . 1 . . . . A 26 XCP H . 31161 1 179 . 1 . 1 26 26 XCP HA H 1 2.884 . . 1 . . . . A 26 XCP HA . 31161 1 180 . 1 . 1 26 26 XCP HB H 1 4.187 . . 1 . . . . A 26 XCP HB . 31161 1 181 . 1 . 1 26 26 XCP HD H 1 1.407 . . 1 . . . . A 26 XCP HD . 31161 1 182 . 1 . 1 26 26 XCP HDA H 1 1.407 . . 1 . . . . A 26 XCP HDA . 31161 1 183 . 1 . 1 26 26 XCP HE H 1 1.543 . . 1 . . . . A 26 XCP HE . 31161 1 184 . 1 . 1 26 26 XCP HEA H 1 1.682 . . 1 . . . . A 26 XCP HEA . 31161 1 185 . 1 . 1 26 26 XCP HG H 1 1.932 . . 1 . . . . A 26 XCP HG . 31161 1 186 . 1 . 1 26 26 XCP HGA H 1 1.932 . . 1 . . . . A 26 XCP HGA . 31161 1 187 . 1 . 1 27 27 ASN H H 1 7.991 . . 1 . . . . A 27 ASN H . 31161 1 188 . 1 . 1 27 27 ASN HA H 1 4.385 . . 1 . . . . A 27 ASN HA . 31161 1 189 . 1 . 1 27 27 ASN HB2 H 1 2.885 . . 2 . . . . A 27 ASN HB2 . 31161 1 190 . 1 . 1 27 27 ASN HB3 H 1 2.837 . . 2 . . . . A 27 ASN HB3 . 31161 1 191 . 1 . 1 27 27 ASN HD21 H 1 7.007 . . 2 . . . . A 27 ASN HD21 . 31161 1 192 . 1 . 1 27 27 ASN HD22 H 1 7.647 . . 2 . . . . A 27 ASN HD22 . 31161 1 193 . 1 . 1 28 28 LYS H H 1 7.784 . . 1 . . . . A 28 LYS H . 31161 1 194 . 1 . 1 28 28 LYS HA H 1 4.141 . . 1 . . . . A 28 LYS HA . 31161 1 195 . 1 . 1 28 28 LYS HB2 H 1 1.875 . . 2 . . . . A 28 LYS HB2 . 31161 1 196 . 1 . 1 28 28 LYS HB3 H 1 1.875 . . 2 . . . . A 28 LYS HB3 . 31161 1 197 . 1 . 1 28 28 LYS HG2 H 1 1.515 . . 2 . . . . A 28 LYS HG2 . 31161 1 198 . 1 . 1 28 28 LYS HG3 H 1 1.515 . . 2 . . . . A 28 LYS HG3 . 31161 1 199 . 1 . 1 28 28 LYS HD2 H 1 1.625 . . 2 . . . . A 28 LYS HD2 . 31161 1 200 . 1 . 1 28 28 LYS HD3 H 1 1.625 . . 2 . . . . A 28 LYS HD3 . 31161 1 201 . 1 . 1 28 28 LYS HE2 H 1 2.947 . . 2 . . . . A 28 LYS HE2 . 31161 1 202 . 1 . 1 28 28 LYS HE3 H 1 2.947 . . 2 . . . . A 28 LYS HE3 . 31161 1 203 . 1 . 1 29 29 ALA H H 1 7.459 . . 1 . . . . A 29 ALA H . 31161 1 204 . 1 . 1 29 29 ALA HA H 1 4.123 . . 1 . . . . A 29 ALA HA . 31161 1 205 . 1 . 1 29 29 ALA HB1 H 1 1.470 . . 1 . . . . A 29 ALA HB1 . 31161 1 206 . 1 . 1 29 29 ALA HB2 H 1 1.470 . . 1 . . . . A 29 ALA HB2 . 31161 1 207 . 1 . 1 29 29 ALA HB3 H 1 1.470 . . 1 . . . . A 29 ALA HB3 . 31161 1 208 . 1 . 1 30 30 LYS H H 1 9.046 . . 1 . . . . A 30 LYS H . 31161 1 209 . 1 . 1 30 30 LYS HA H 1 4.385 . . 1 . . . . A 30 LYS HA . 31161 1 210 . 1 . 1 30 30 LYS HB2 H 1 1.981 . . 2 . . . . A 30 LYS HB2 . 31161 1 211 . 1 . 1 30 30 LYS HB3 H 1 1.912 . . 2 . . . . A 30 LYS HB3 . 31161 1 212 . 1 . 1 30 30 LYS HG2 H 1 1.683 . . 2 . . . . A 30 LYS HG2 . 31161 1 213 . 1 . 1 30 30 LYS HG3 H 1 1.514 . . 2 . . . . A 30 LYS HG3 . 31161 1 214 . 1 . 1 30 30 LYS HD2 H 1 1.754 . . 2 . . . . A 30 LYS HD2 . 31161 1 215 . 1 . 1 30 30 LYS HD3 H 1 1.754 . . 2 . . . . A 30 LYS HD3 . 31161 1 216 . 1 . 1 30 30 LYS HE2 H 1 3.070 . . 2 . . . . A 30 LYS HE2 . 31161 1 217 . 1 . 1 30 30 LYS HE3 H 1 3.070 . . 2 . . . . A 30 LYS HE3 . 31161 1 218 . 1 . 1 31 31 THR H H 1 7.411 . . 1 . . . . A 31 THR H . 31161 1 219 . 1 . 1 31 31 THR HA H 1 4.777 . . 1 . . . . A 31 THR HA . 31161 1 220 . 1 . 1 31 31 THR HB H 1 4.703 . . 1 . . . . A 31 THR HB . 31161 1 221 . 1 . 1 31 31 THR HG21 H 1 1.256 . . 1 . . . . A 31 THR HG21 . 31161 1 222 . 1 . 1 31 31 THR HG22 H 1 1.256 . . 1 . . . . A 31 THR HG22 . 31161 1 223 . 1 . 1 31 31 THR HG23 H 1 1.256 . . 1 . . . . A 31 THR HG23 . 31161 1 224 . 1 . 1 32 32 VAL H H 1 9.042 . . 1 . . . . A 32 VAL H . 31161 1 225 . 1 . 1 32 32 VAL HA H 1 3.539 . . 1 . . . . A 32 VAL HA . 31161 1 226 . 1 . 1 32 32 VAL HB H 1 2.060 . . 1 . . . . A 32 VAL HB . 31161 1 227 . 1 . 1 32 32 VAL HG11 H 1 0.956 . . 2 . . . . A 32 VAL HG11 . 31161 1 228 . 1 . 1 32 32 VAL HG12 H 1 0.956 . . 2 . . . . A 32 VAL HG12 . 31161 1 229 . 1 . 1 32 32 VAL HG13 H 1 0.956 . . 2 . . . . A 32 VAL HG13 . 31161 1 230 . 1 . 1 32 32 VAL HG21 H 1 1.063 . . 2 . . . . A 32 VAL HG21 . 31161 1 231 . 1 . 1 32 32 VAL HG22 H 1 1.063 . . 2 . . . . A 32 VAL HG22 . 31161 1 232 . 1 . 1 32 32 VAL HG23 H 1 1.063 . . 2 . . . . A 32 VAL HG23 . 31161 1 233 . 1 . 1 33 33 GLU H H 1 8.795 . . 1 . . . . A 33 GLU H . 31161 1 234 . 1 . 1 33 33 GLU HA H 1 4.083 . . 1 . . . . A 33 GLU HA . 31161 1 235 . 1 . 1 33 33 GLU HB2 H 1 2.112 . . 2 . . . . A 33 GLU HB2 . 31161 1 236 . 1 . 1 33 33 GLU HB3 H 1 1.958 . . 2 . . . . A 33 GLU HB3 . 31161 1 237 . 1 . 1 33 33 GLU HG2 H 1 2.470 . . 2 . . . . A 33 GLU HG2 . 31161 1 238 . 1 . 1 33 33 GLU HG3 H 1 2.299 . . 2 . . . . A 33 GLU HG3 . 31161 1 239 . 1 . 1 34 34 GLU H H 1 8.086 . . 1 . . . . A 34 GLU H . 31161 1 240 . 1 . 1 34 34 GLU HA H 1 4.177 . . 1 . . . . A 34 GLU HA . 31161 1 241 . 1 . 1 34 34 GLU HB2 H 1 2.335 . . 2 . . . . A 34 GLU HB2 . 31161 1 242 . 1 . 1 34 34 GLU HB3 H 1 2.168 . . 2 . . . . A 34 GLU HB3 . 31161 1 243 . 1 . 1 34 34 GLU HG2 H 1 2.476 . . 2 . . . . A 34 GLU HG2 . 31161 1 244 . 1 . 1 34 34 GLU HG3 H 1 2.476 . . 2 . . . . A 34 GLU HG3 . 31161 1 245 . 1 . 1 35 35 VAL H H 1 8.317 . . 1 . . . . A 35 VAL H . 31161 1 246 . 1 . 1 35 35 VAL HA H 1 3.284 . . 1 . . . . A 35 VAL HA . 31161 1 247 . 1 . 1 35 35 VAL HB H 1 2.384 . . 1 . . . . A 35 VAL HB . 31161 1 248 . 1 . 1 35 35 VAL HG11 H 1 0.787 . . 2 . . . . A 35 VAL HG11 . 31161 1 249 . 1 . 1 35 35 VAL HG12 H 1 0.787 . . 2 . . . . A 35 VAL HG12 . 31161 1 250 . 1 . 1 35 35 VAL HG13 H 1 0.787 . . 2 . . . . A 35 VAL HG13 . 31161 1 251 . 1 . 1 35 35 VAL HG21 H 1 0.998 . . 2 . . . . A 35 VAL HG21 . 31161 1 252 . 1 . 1 35 35 VAL HG22 H 1 0.998 . . 2 . . . . A 35 VAL HG22 . 31161 1 253 . 1 . 1 35 35 VAL HG23 H 1 0.998 . . 2 . . . . A 35 VAL HG23 . 31161 1 254 . 1 . 1 36 36 ASN H H 1 7.962 . . 1 . . . . A 36 ASN H . 31161 1 255 . 1 . 1 36 36 ASN HA H 1 4.334 . . 1 . . . . A 36 ASN HA . 31161 1 256 . 1 . 1 36 36 ASN HB2 H 1 2.808 . . 2 . . . . A 36 ASN HB2 . 31161 1 257 . 1 . 1 36 36 ASN HB3 H 1 2.808 . . 2 . . . . A 36 ASN HB3 . 31161 1 258 . 1 . 1 36 36 ASN HD21 H 1 7.057 . . 2 . . . . A 36 ASN HD21 . 31161 1 259 . 1 . 1 36 36 ASN HD22 H 1 7.712 . . 2 . . . . A 36 ASN HD22 . 31161 1 260 . 1 . 1 37 37 ALA H H 1 8.174 . . 1 . . . . A 37 ALA H . 31161 1 261 . 1 . 1 37 37 ALA HA H 1 4.192 . . 1 . . . . A 37 ALA HA . 31161 1 262 . 1 . 1 37 37 ALA HB1 H 1 1.539 . . 1 . . . . A 37 ALA HB1 . 31161 1 263 . 1 . 1 37 37 ALA HB2 H 1 1.539 . . 1 . . . . A 37 ALA HB2 . 31161 1 264 . 1 . 1 37 37 ALA HB3 H 1 1.539 . . 1 . . . . A 37 ALA HB3 . 31161 1 265 . 1 . 1 38 38 LEU H H 1 8.751 . . 1 . . . . A 38 LEU H . 31161 1 266 . 1 . 1 38 38 LEU HA H 1 4.167 . . 1 . . . . A 38 LEU HA . 31161 1 267 . 1 . 1 38 38 LEU HB2 H 1 1.904 . . 2 . . . . A 38 LEU HB2 . 31161 1 268 . 1 . 1 38 38 LEU HB3 H 1 1.463 . . 2 . . . . A 38 LEU HB3 . 31161 1 269 . 1 . 1 38 38 LEU HG H 1 1.901 . . 1 . . . . A 38 LEU HG . 31161 1 270 . 1 . 1 38 38 LEU HD11 H 1 0.891 . . 2 . . . . A 38 LEU HD11 . 31161 1 271 . 1 . 1 38 38 LEU HD12 H 1 0.891 . . 2 . . . . A 38 LEU HD12 . 31161 1 272 . 1 . 1 38 38 LEU HD13 H 1 0.891 . . 2 . . . . A 38 LEU HD13 . 31161 1 273 . 1 . 1 38 38 LEU HD21 H 1 0.939 . . 2 . . . . A 38 LEU HD21 . 31161 1 274 . 1 . 1 38 38 LEU HD22 H 1 0.939 . . 2 . . . . A 38 LEU HD22 . 31161 1 275 . 1 . 1 38 38 LEU HD23 H 1 0.939 . . 2 . . . . A 38 LEU HD23 . 31161 1 276 . 1 . 1 39 39 LYS H H 1 8.599 . . 1 . . . . A 39 LYS H . 31161 1 277 . 1 . 1 39 39 LYS HA H 1 3.787 . . 1 . . . . A 39 LYS HA . 31161 1 278 . 1 . 1 39 39 LYS HB2 H 1 2.016 . . 2 . . . . A 39 LYS HB2 . 31161 1 279 . 1 . 1 39 39 LYS HB3 H 1 2.016 . . 2 . . . . A 39 LYS HB3 . 31161 1 280 . 1 . 1 39 39 LYS HG2 H 1 1.503 . . 2 . . . . A 39 LYS HG2 . 31161 1 281 . 1 . 1 39 39 LYS HG3 H 1 1.300 . . 2 . . . . A 39 LYS HG3 . 31161 1 282 . 1 . 1 39 39 LYS HD2 H 1 1.800 . . 2 . . . . A 39 LYS HD2 . 31161 1 283 . 1 . 1 39 39 LYS HD3 H 1 1.545 . . 2 . . . . A 39 LYS HD3 . 31161 1 284 . 1 . 1 39 39 LYS HE2 H 1 2.966 . . 2 . . . . A 39 LYS HE2 . 31161 1 285 . 1 . 1 39 39 LYS HE3 H 1 2.800 . . 2 . . . . A 39 LYS HE3 . 31161 1 286 . 1 . 1 40 40 ASN H H 1 8.102 . . 1 . . . . A 40 ASN H . 31161 1 287 . 1 . 1 40 40 ASN HA H 1 4.495 . . 1 . . . . A 40 ASN HA . 31161 1 288 . 1 . 1 40 40 ASN HB2 H 1 2.931 . . 2 . . . . A 40 ASN HB2 . 31161 1 289 . 1 . 1 40 40 ASN HB3 H 1 2.779 . . 2 . . . . A 40 ASN HB3 . 31161 1 290 . 1 . 1 40 40 ASN HD21 H 1 6.975 . . 2 . . . . A 40 ASN HD21 . 31161 1 291 . 1 . 1 40 40 ASN HD22 H 1 7.586 . . 2 . . . . A 40 ASN HD22 . 31161 1 292 . 1 . 1 41 41 GLU H H 1 8.100 . . 1 . . . . A 41 GLU H . 31161 1 293 . 1 . 1 41 41 GLU HA H 1 4.093 . . 1 . . . . A 41 GLU HA . 31161 1 294 . 1 . 1 41 41 GLU HB2 H 1 2.216 . . 2 . . . . A 41 GLU HB2 . 31161 1 295 . 1 . 1 41 41 GLU HB3 H 1 2.216 . . 2 . . . . A 41 GLU HB3 . 31161 1 296 . 1 . 1 41 41 GLU HG2 H 1 2.413 . . 2 . . . . A 41 GLU HG2 . 31161 1 297 . 1 . 1 41 41 GLU HG3 H 1 2.349 . . 2 . . . . A 41 GLU HG3 . 31161 1 298 . 1 . 1 42 42 ILE H H 1 8.504 . . 1 . . . . A 42 ILE H . 31161 1 299 . 1 . 1 42 42 ILE HA H 1 3.796 . . 1 . . . . A 42 ILE HA . 31161 1 300 . 1 . 1 42 42 ILE HB H 1 1.847 . . 1 . . . . A 42 ILE HB . 31161 1 301 . 1 . 1 42 42 ILE HG12 H 1 1.061 . . 2 . . . . A 42 ILE HG12 . 31161 1 302 . 1 . 1 42 42 ILE HG13 H 1 0.803 . . 2 . . . . A 42 ILE HG13 . 31161 1 303 . 1 . 1 42 42 ILE HG21 H 1 0.869 . . 1 . . . . A 42 ILE HG21 . 31161 1 304 . 1 . 1 42 42 ILE HG22 H 1 0.869 . . 1 . . . . A 42 ILE HG22 . 31161 1 305 . 1 . 1 42 42 ILE HG23 H 1 0.869 . . 1 . . . . A 42 ILE HG23 . 31161 1 306 . 1 . 1 42 42 ILE HD11 H 1 0.947 . . 1 . . . . A 42 ILE HD11 . 31161 1 307 . 1 . 1 42 42 ILE HD12 H 1 0.947 . . 1 . . . . A 42 ILE HD12 . 31161 1 308 . 1 . 1 42 42 ILE HD13 H 1 0.947 . . 1 . . . . A 42 ILE HD13 . 31161 1 309 . 1 . 1 43 43 LEU H H 1 8.453 . . 1 . . . . A 43 LEU H . 31161 1 310 . 1 . 1 43 43 LEU HA H 1 4.055 . . 1 . . . . A 43 LEU HA . 31161 1 311 . 1 . 1 43 43 LEU HB2 H 1 1.962 . . 2 . . . . A 43 LEU HB2 . 31161 1 312 . 1 . 1 43 43 LEU HB3 H 1 1.518 . . 2 . . . . A 43 LEU HB3 . 31161 1 313 . 1 . 1 43 43 LEU HG H 1 1.796 . . 1 . . . . A 43 LEU HG . 31161 1 314 . 1 . 1 43 43 LEU HD11 H 1 0.824 . . 2 . . . . A 43 LEU HD11 . 31161 1 315 . 1 . 1 43 43 LEU HD12 H 1 0.824 . . 2 . . . . A 43 LEU HD12 . 31161 1 316 . 1 . 1 43 43 LEU HD13 H 1 0.824 . . 2 . . . . A 43 LEU HD13 . 31161 1 317 . 1 . 1 43 43 LEU HD21 H 1 0.879 . . 2 . . . . A 43 LEU HD21 . 31161 1 318 . 1 . 1 43 43 LEU HD22 H 1 0.879 . . 2 . . . . A 43 LEU HD22 . 31161 1 319 . 1 . 1 43 43 LEU HD23 H 1 0.879 . . 2 . . . . A 43 LEU HD23 . 31161 1 320 . 1 . 1 44 44 LYS H H 1 8.085 . . 1 . . . . A 44 LYS H . 31161 1 321 . 1 . 1 44 44 LYS HA H 1 4.104 . . 1 . . . . A 44 LYS HA . 31161 1 322 . 1 . 1 44 44 LYS HB2 H 1 1.926 . . 2 . . . . A 44 LYS HB2 . 31161 1 323 . 1 . 1 44 44 LYS HB3 H 1 1.926 . . 2 . . . . A 44 LYS HB3 . 31161 1 324 . 1 . 1 44 44 LYS HG2 H 1 1.417 . . 2 . . . . A 44 LYS HG2 . 31161 1 325 . 1 . 1 44 44 LYS HG3 H 1 1.417 . . 2 . . . . A 44 LYS HG3 . 31161 1 326 . 1 . 1 44 44 LYS HD2 H 1 1.691 . . 2 . . . . A 44 LYS HD2 . 31161 1 327 . 1 . 1 44 44 LYS HD3 H 1 1.691 . . 2 . . . . A 44 LYS HD3 . 31161 1 328 . 1 . 1 44 44 LYS HE2 H 1 2.966 . . 2 . . . . A 44 LYS HE2 . 31161 1 329 . 1 . 1 44 44 LYS HE3 H 1 2.966 . . 2 . . . . A 44 LYS HE3 . 31161 1 330 . 1 . 1 45 45 ALA H H 1 7.957 . . 1 . . . . A 45 ALA H . 31161 1 331 . 1 . 1 45 45 ALA HA H 1 4.218 . . 1 . . . . A 45 ALA HA . 31161 1 332 . 1 . 1 45 45 ALA HB1 H 1 1.506 . . 1 . . . . A 45 ALA HB1 . 31161 1 333 . 1 . 1 45 45 ALA HB2 H 1 1.506 . . 1 . . . . A 45 ALA HB2 . 31161 1 334 . 1 . 1 45 45 ALA HB3 H 1 1.506 . . 1 . . . . A 45 ALA HB3 . 31161 1 335 . 1 . 1 46 46 HIS H H 1 8.132 . . 1 . . . . A 46 HIS H . 31161 1 336 . 1 . 1 46 46 HIS HA H 1 4.475 . . 1 . . . . A 46 HIS HA . 31161 1 337 . 1 . 1 46 46 HIS HB2 H 1 3.301 . . 2 . . . . A 46 HIS HB2 . 31161 1 338 . 1 . 1 46 46 HIS HB3 H 1 3.125 . . 2 . . . . A 46 HIS HB3 . 31161 1 339 . 1 . 1 46 46 HIS HD2 H 1 7.265 . . 1 . . . . A 46 HIS HD2 . 31161 1 340 . 1 . 1 47 47 ALA H H 1 7.841 . . 1 . . . . A 47 ALA H . 31161 1 341 . 1 . 1 47 47 ALA HA H 1 4.179 . . 1 . . . . A 47 ALA HA . 31161 1 342 . 1 . 1 47 47 ALA HB1 H 1 1.496 . . 1 . . . . A 47 ALA HB1 . 31161 1 343 . 1 . 1 47 47 ALA HB2 H 1 1.496 . . 1 . . . . A 47 ALA HB2 . 31161 1 344 . 1 . 1 47 47 ALA HB3 H 1 1.496 . . 1 . . . . A 47 ALA HB3 . 31161 1 345 . 1 . 1 48 48 NH2 HN1 H 1 7.265 . . 2 . . . . A 48 NH2 HN1 . 31161 1 346 . 1 . 1 48 48 NH2 HN2 H 1 7.349 . . 2 . . . . A 48 NH2 HN2 . 31161 1 stop_ save_