################################### # 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 31160 _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' . . . 31160 1 2 '2D 1H-1H COSY' . . . 31160 1 3 '2D 1H-1H NOESY' . . . 31160 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 4.245 . . 1 . . . . A 1 LEU HA . 31160 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.416 . . 2 . . . . A 1 LEU HB2 . 31160 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.416 . . 2 . . . . A 1 LEU HB3 . 31160 1 4 . 1 . 1 1 1 LEU HG H 1 1.641 . . 1 . . . . A 1 LEU HG . 31160 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.920 . . 2 . . . . A 1 LEU HD11 . 31160 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.920 . . 2 . . . . A 1 LEU HD12 . 31160 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.920 . . 2 . . . . A 1 LEU HD13 . 31160 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.920 . . 2 . . . . A 1 LEU HD21 . 31160 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.920 . . 2 . . . . A 1 LEU HD22 . 31160 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.920 . . 2 . . . . A 1 LEU HD23 . 31160 1 11 . 1 . 1 2 2 LYS H H 1 8.256 . . 1 . . . . A 2 LYS H . 31160 1 12 . 1 . 1 2 2 LYS HA H 1 4.271 . . 1 . . . . A 2 LYS HA . 31160 1 13 . 1 . 1 2 2 LYS HB2 H 1 1.810 . . 2 . . . . A 2 LYS HB2 . 31160 1 14 . 1 . 1 2 2 LYS HB3 H 1 1.810 . . 2 . . . . A 2 LYS HB3 . 31160 1 15 . 1 . 1 2 2 LYS HG2 H 1 1.414 . . 2 . . . . A 2 LYS HG2 . 31160 1 16 . 1 . 1 2 2 LYS HG3 H 1 1.414 . . 2 . . . . A 2 LYS HG3 . 31160 1 17 . 1 . 1 2 2 LYS HD2 H 1 1.679 . . 2 . . . . A 2 LYS HD2 . 31160 1 18 . 1 . 1 2 2 LYS HD3 H 1 1.679 . . 2 . . . . A 2 LYS HD3 . 31160 1 19 . 1 . 1 2 2 LYS HE2 H 1 2.971 . . 2 . . . . A 2 LYS HE2 . 31160 1 20 . 1 . 1 2 2 LYS HE3 H 1 2.971 . . 2 . . . . A 2 LYS HE3 . 31160 1 21 . 1 . 1 3 3 ASN H H 1 8.684 . . 1 . . . . A 3 ASN H . 31160 1 22 . 1 . 1 3 3 ASN HA H 1 4.693 . . 1 . . . . A 3 ASN HA . 31160 1 23 . 1 . 1 3 3 ASN HB2 H 1 2.966 . . 2 . . . . A 3 ASN HB2 . 31160 1 24 . 1 . 1 3 3 ASN HB3 H 1 2.833 . . 2 . . . . A 3 ASN HB3 . 31160 1 25 . 1 . 1 3 3 ASN HD21 H 1 7.081 . . 2 . . . . A 3 ASN HD21 . 31160 1 26 . 1 . 1 3 3 ASN HD22 H 1 7.785 . . 2 . . . . A 3 ASN HD22 . 31160 1 27 . 1 . 1 4 4 ALA H H 1 8.559 . . 1 . . . . A 4 ALA H . 31160 1 28 . 1 . 1 4 4 ALA HA H 1 4.170 . . 1 . . . . A 4 ALA HA . 31160 1 29 . 1 . 1 4 4 ALA HB1 H 1 1.511 . . 1 . . . . A 4 ALA HB1 . 31160 1 30 . 1 . 1 4 4 ALA HB2 H 1 1.511 . . 1 . . . . A 4 ALA HB2 . 31160 1 31 . 1 . 1 4 4 ALA HB3 H 1 1.511 . . 1 . . . . A 4 ALA HB3 . 31160 1 32 . 1 . 1 5 5 LYS H H 1 8.414 . . 1 . . . . A 5 LYS H . 31160 1 33 . 1 . 1 5 5 LYS HA H 1 3.875 . . 1 . . . . A 5 LYS HA . 31160 1 34 . 1 . 1 5 5 LYS HB2 H 1 1.935 . . 2 . . . . A 5 LYS HB2 . 31160 1 35 . 1 . 1 5 5 LYS HB3 H 1 1.885 . . 2 . . . . A 5 LYS HB3 . 31160 1 36 . 1 . 1 5 5 LYS HG2 H 1 1.389 . . 2 . . . . A 5 LYS HG2 . 31160 1 37 . 1 . 1 5 5 LYS HG3 H 1 1.308 . . 2 . . . . A 5 LYS HG3 . 31160 1 38 . 1 . 1 5 5 LYS HD2 H 1 1.702 . . 2 . . . . A 5 LYS HD2 . 31160 1 39 . 1 . 1 5 5 LYS HD3 H 1 1.702 . . 2 . . . . A 5 LYS HD3 . 31160 1 40 . 1 . 1 5 5 LYS HE2 H 1 2.910 . . 2 . . . . A 5 LYS HE2 . 31160 1 41 . 1 . 1 5 5 LYS HE3 H 1 2.863 . . 2 . . . . A 5 LYS HE3 . 31160 1 42 . 1 . 1 6 6 GLU H H 1 8.211 . . 1 . . . . A 6 GLU H . 31160 1 43 . 1 . 1 6 6 GLU HA H 1 3.901 . . 1 . . . . A 6 GLU HA . 31160 1 44 . 1 . 1 6 6 GLU HB2 H 1 2.057 . . 2 . . . . A 6 GLU HB2 . 31160 1 45 . 1 . 1 6 6 GLU HB3 H 1 2.004 . . 2 . . . . A 6 GLU HB3 . 31160 1 46 . 1 . 1 6 6 GLU HG2 H 1 2.398 . . 2 . . . . A 6 GLU HG2 . 31160 1 47 . 1 . 1 6 6 GLU HG3 H 1 2.283 . . 2 . . . . A 6 GLU HG3 . 31160 1 48 . 1 . 1 7 7 ASP H H 1 8.522 . . 1 . . . . A 7 ASP H . 31160 1 49 . 1 . 1 7 7 ASP HA H 1 4.424 . . 1 . . . . A 7 ASP HA . 31160 1 50 . 1 . 1 7 7 ASP HB2 H 1 2.679 . . 2 . . . . A 7 ASP HB2 . 31160 1 51 . 1 . 1 7 7 ASP HB3 H 1 2.679 . . 2 . . . . A 7 ASP HB3 . 31160 1 52 . 1 . 1 8 8 ALA H H 1 7.979 . . 1 . . . . A 8 ALA H . 31160 1 53 . 1 . 1 8 8 ALA HA H 1 4.099 . . 1 . . . . A 8 ALA HA . 31160 1 54 . 1 . 1 8 8 ALA HB1 H 1 1.453 . . 1 . . . . A 8 ALA HB1 . 31160 1 55 . 1 . 1 8 8 ALA HB2 H 1 1.453 . . 1 . . . . A 8 ALA HB2 . 31160 1 56 . 1 . 1 8 8 ALA HB3 H 1 1.453 . . 1 . . . . A 8 ALA HB3 . 31160 1 57 . 1 . 1 9 9 ILE H H 1 8.341 . . 1 . . . . A 9 ILE H . 31160 1 58 . 1 . 1 9 9 ILE HA H 1 3.464 . . 1 . . . . A 9 ILE HA . 31160 1 59 . 1 . 1 9 9 ILE HB H 1 1.750 . . 1 . . . . A 9 ILE HB . 31160 1 60 . 1 . 1 9 9 ILE HG12 H 1 1.893 . . 2 . . . . A 9 ILE HG12 . 31160 1 61 . 1 . 1 9 9 ILE HG13 H 1 0.927 . . 2 . . . . A 9 ILE HG13 . 31160 1 62 . 1 . 1 9 9 ILE HG21 H 1 0.399 . . 1 . . . . A 9 ILE HG21 . 31160 1 63 . 1 . 1 9 9 ILE HG22 H 1 0.399 . . 1 . . . . A 9 ILE HG22 . 31160 1 64 . 1 . 1 9 9 ILE HG23 H 1 0.399 . . 1 . . . . A 9 ILE HG23 . 31160 1 65 . 1 . 1 9 9 ILE HD11 H 1 0.853 . . 1 . . . . A 9 ILE HD11 . 31160 1 66 . 1 . 1 9 9 ILE HD12 H 1 0.853 . . 1 . . . . A 9 ILE HD12 . 31160 1 67 . 1 . 1 9 9 ILE HD13 H 1 0.853 . . 1 . . . . A 9 ILE HD13 . 31160 1 68 . 1 . 1 10 10 ALA H H 1 7.981 . . 1 . . . . A 10 ALA H . 31160 1 69 . 1 . 1 10 10 ALA HA H 1 4.021 . . 1 . . . . A 10 ALA HA . 31160 1 70 . 1 . 1 10 10 ALA HB1 H 1 1.509 . . 1 . . . . A 10 ALA HB1 . 31160 1 71 . 1 . 1 10 10 ALA HB2 H 1 1.509 . . 1 . . . . A 10 ALA HB2 . 31160 1 72 . 1 . 1 10 10 ALA HB3 H 1 1.509 . . 1 . . . . A 10 ALA HB3 . 31160 1 73 . 1 . 1 11 11 GLU H H 1 8.064 . . 1 . . . . A 11 GLU H . 31160 1 74 . 1 . 1 11 11 GLU HA H 1 3.979 . . 1 . . . . A 11 GLU HA . 31160 1 75 . 1 . 1 11 11 GLU HB2 H 1 2.192 . . 2 . . . . A 11 GLU HB2 . 31160 1 76 . 1 . 1 11 11 GLU HB3 H 1 2.087 . . 2 . . . . A 11 GLU HB3 . 31160 1 77 . 1 . 1 11 11 GLU HG2 H 1 2.434 . . 2 . . . . A 11 GLU HG2 . 31160 1 78 . 1 . 1 11 11 GLU HG3 H 1 2.434 . . 2 . . . . A 11 GLU HG3 . 31160 1 79 . 1 . 1 12 12 LEU H H 1 8.406 . . 1 . . . . A 12 LEU H . 31160 1 80 . 1 . 1 12 12 LEU HA H 1 4.033 . . 1 . . . . A 12 LEU HA . 31160 1 81 . 1 . 1 12 12 LEU HB2 H 1 2.311 . . 2 . . . . A 12 LEU HB2 . 31160 1 82 . 1 . 1 12 12 LEU HB3 H 1 1.412 . . 2 . . . . A 12 LEU HB3 . 31160 1 83 . 1 . 1 12 12 LEU HG H 1 1.979 . . 1 . . . . A 12 LEU HG . 31160 1 84 . 1 . 1 12 12 LEU HD11 H 1 0.845 . . 2 . . . . A 12 LEU HD11 . 31160 1 85 . 1 . 1 12 12 LEU HD12 H 1 0.845 . . 2 . . . . A 12 LEU HD12 . 31160 1 86 . 1 . 1 12 12 LEU HD13 H 1 0.845 . . 2 . . . . A 12 LEU HD13 . 31160 1 87 . 1 . 1 12 12 LEU HD21 H 1 0.845 . . 2 . . . . A 12 LEU HD21 . 31160 1 88 . 1 . 1 12 12 LEU HD22 H 1 0.845 . . 2 . . . . A 12 LEU HD22 . 31160 1 89 . 1 . 1 12 12 LEU HD23 H 1 0.845 . . 2 . . . . A 12 LEU HD23 . 31160 1 90 . 1 . 1 13 13 LYS H H 1 8.798 . . 1 . . . . A 13 LYS H . 31160 1 91 . 1 . 1 13 13 LYS HA H 1 4.383 . . 1 . . . . A 13 LYS HA . 31160 1 92 . 1 . 1 13 13 LYS HB2 H 1 1.805 . . 2 . . . . A 13 LYS HB2 . 31160 1 93 . 1 . 1 13 13 LYS HB3 H 1 1.805 . . 2 . . . . A 13 LYS HB3 . 31160 1 94 . 1 . 1 13 13 LYS HG2 H 1 1.419 . . 2 . . . . A 13 LYS HG2 . 31160 1 95 . 1 . 1 13 13 LYS HG3 H 1 1.358 . . 2 . . . . A 13 LYS HG3 . 31160 1 96 . 1 . 1 13 13 LYS HD2 H 1 1.526 . . 2 . . . . A 13 LYS HD2 . 31160 1 97 . 1 . 1 13 13 LYS HD3 H 1 1.526 . . 2 . . . . A 13 LYS HD3 . 31160 1 98 . 1 . 1 13 13 LYS HE2 H 1 2.541 . . 2 . . . . A 13 LYS HE2 . 31160 1 99 . 1 . 1 13 13 LYS HE3 H 1 2.240 . . 2 . . . . A 13 LYS HE3 . 31160 1 100 . 1 . 1 14 14 LYS H H 1 8.113 . . 1 . . . . A 14 LYS H . 31160 1 101 . 1 . 1 14 14 LYS HA H 1 4.076 . . 1 . . . . A 14 LYS HA . 31160 1 102 . 1 . 1 14 14 LYS HB2 H 1 1.973 . . 2 . . . . A 14 LYS HB2 . 31160 1 103 . 1 . 1 14 14 LYS HB3 H 1 1.944 . . 2 . . . . A 14 LYS HB3 . 31160 1 104 . 1 . 1 14 14 LYS HG2 H 1 1.583 . . 2 . . . . A 14 LYS HG2 . 31160 1 105 . 1 . 1 14 14 LYS HG3 H 1 1.583 . . 2 . . . . A 14 LYS HG3 . 31160 1 106 . 1 . 1 14 14 LYS HD2 H 1 1.693 . . 2 . . . . A 14 LYS HD2 . 31160 1 107 . 1 . 1 14 14 LYS HD3 H 1 1.693 . . 2 . . . . A 14 LYS HD3 . 31160 1 108 . 1 . 1 14 14 LYS HE2 H 1 2.964 . . 2 . . . . A 14 LYS HE2 . 31160 1 109 . 1 . 1 14 14 LYS HE3 H 1 2.964 . . 2 . . . . A 14 LYS HE3 . 31160 1 110 . 1 . 1 15 15 ALA H H 1 7.438 . . 1 . . . . A 15 ALA H . 31160 1 111 . 1 . 1 15 15 ALA HA H 1 4.397 . . 1 . . . . A 15 ALA HA . 31160 1 112 . 1 . 1 15 15 ALA HB1 H 1 1.504 . . 1 . . . . A 15 ALA HB1 . 31160 1 113 . 1 . 1 15 15 ALA HB2 H 1 1.504 . . 1 . . . . A 15 ALA HB2 . 31160 1 114 . 1 . 1 15 15 ALA HB3 H 1 1.504 . . 1 . . . . A 15 ALA HB3 . 31160 1 115 . 1 . 1 16 16 GLY H H 1 7.826 . . 1 . . . . A 16 GLY H . 31160 1 116 . 1 . 1 16 16 GLY HA2 H 1 4.327 . . 2 . . . . A 16 GLY HA2 . 31160 1 117 . 1 . 1 16 16 GLY HA3 H 1 3.706 . . 2 . . . . A 16 GLY HA3 . 31160 1 118 . 1 . 1 17 17 ILE H H 1 7.856 . . 1 . . . . A 17 ILE H . 31160 1 119 . 1 . 1 17 17 ILE HA H 1 3.945 . . 1 . . . . A 17 ILE HA . 31160 1 120 . 1 . 1 17 17 ILE HB H 1 1.698 . . 1 . . . . A 17 ILE HB . 31160 1 121 . 1 . 1 17 17 ILE HG12 H 1 0.990 . . 2 . . . . A 17 ILE HG12 . 31160 1 122 . 1 . 1 17 17 ILE HG13 H 1 0.808 . . 2 . . . . A 17 ILE HG13 . 31160 1 123 . 1 . 1 17 17 ILE HG21 H 1 0.615 . . 1 . . . . A 17 ILE HG21 . 31160 1 124 . 1 . 1 17 17 ILE HG22 H 1 0.615 . . 1 . . . . A 17 ILE HG22 . 31160 1 125 . 1 . 1 17 17 ILE HG23 H 1 0.615 . . 1 . . . . A 17 ILE HG23 . 31160 1 126 . 1 . 1 17 17 ILE HD11 H 1 0.468 . . 1 . . . . A 17 ILE HD11 . 31160 1 127 . 1 . 1 17 17 ILE HD12 H 1 0.468 . . 1 . . . . A 17 ILE HD12 . 31160 1 128 . 1 . 1 17 17 ILE HD13 H 1 0.468 . . 1 . . . . A 17 ILE HD13 . 31160 1 129 . 1 . 1 18 18 THR H H 1 8.404 . . 1 . . . . A 18 THR H . 31160 1 130 . 1 . 1 18 18 THR HA H 1 4.726 . . 1 . . . . A 18 THR HA . 31160 1 131 . 1 . 1 18 18 THR HB H 1 4.351 . . 1 . . . . A 18 THR HB . 31160 1 132 . 1 . 1 18 18 THR HG21 H 1 1.174 . . 1 . . . . A 18 THR HG21 . 31160 1 133 . 1 . 1 18 18 THR HG22 H 1 1.174 . . 1 . . . . A 18 THR HG22 . 31160 1 134 . 1 . 1 18 18 THR HG23 H 1 1.174 . . 1 . . . . A 18 THR HG23 . 31160 1 135 . 1 . 1 19 19 SER H H 1 7.514 . . 1 . . . . A 19 SER H . 31160 1 136 . 1 . 1 19 19 SER HA H 1 4.393 . . 1 . . . . A 19 SER HA . 31160 1 137 . 1 . 1 19 19 SER HB2 H 1 4.028 . . 2 . . . . A 19 SER HB2 . 31160 1 138 . 1 . 1 19 19 SER HB3 H 1 3.628 . . 2 . . . . A 19 SER HB3 . 31160 1 139 . 1 . 1 20 20 ASP H H 1 9.031 . . 1 . . . . A 20 ASP H . 31160 1 140 . 1 . 1 20 20 ASP HA H 1 4.525 . . 1 . . . . A 20 ASP HA . 31160 1 141 . 1 . 1 20 20 ASP HB2 H 1 2.716 . . 2 . . . . A 20 ASP HB2 . 31160 1 142 . 1 . 1 20 20 ASP HB3 H 1 2.687 . . 2 . . . . A 20 ASP HB3 . 31160 1 143 . 1 . 1 21 21 PHE H H 1 8.089 . . 1 . . . . A 21 PHE H . 31160 1 144 . 1 . 1 21 21 PHE HA H 1 4.179 . . 1 . . . . A 21 PHE HA . 31160 1 145 . 1 . 1 21 21 PHE HB2 H 1 2.986 . . 2 . . . . A 21 PHE HB2 . 31160 1 146 . 1 . 1 21 21 PHE HB3 H 1 2.443 . . 2 . . . . A 21 PHE HB3 . 31160 1 147 . 1 . 1 21 21 PHE HD1 H 1 6.568 . . 3 . . . . A 21 PHE HD1 . 31160 1 148 . 1 . 1 21 21 PHE HD2 H 1 6.568 . . 3 . . . . A 21 PHE HD2 . 31160 1 149 . 1 . 1 21 21 PHE HE1 H 1 7.159 . . 3 . . . . A 21 PHE HE1 . 31160 1 150 . 1 . 1 21 21 PHE HE2 H 1 7.159 . . 3 . . . . A 21 PHE HE2 . 31160 1 151 . 1 . 1 21 21 PHE HZ H 1 7.216 . . 1 . . . . A 21 PHE HZ . 31160 1 152 . 1 . 1 22 22 TYR H H 1 7.287 . . 1 . . . . A 22 TYR H . 31160 1 153 . 1 . 1 22 22 TYR HA H 1 4.296 . . 1 . . . . A 22 TYR HA . 31160 1 154 . 1 . 1 22 22 TYR HB2 H 1 2.579 . . 2 . . . . A 22 TYR HB2 . 31160 1 155 . 1 . 1 22 22 TYR HB3 H 1 1.996 . . 2 . . . . A 22 TYR HB3 . 31160 1 156 . 1 . 1 22 22 TYR HD1 H 1 6.863 . . 3 . . . . A 22 TYR HD1 . 31160 1 157 . 1 . 1 22 22 TYR HD2 H 1 6.863 . . 3 . . . . A 22 TYR HD2 . 31160 1 158 . 1 . 1 22 22 TYR HE1 H 1 6.888 . . 3 . . . . A 22 TYR HE1 . 31160 1 159 . 1 . 1 22 22 TYR HE2 H 1 6.888 . . 3 . . . . A 22 TYR HE2 . 31160 1 160 . 1 . 1 23 23 3FB HA1 H 1 2.527 . . 2 . . . . A 23 B3F HA1 . 31160 1 161 . 1 . 1 23 23 3FB HA2 H 1 2.719 . . 2 . . . . A 23 B3F HA2 . 31160 1 162 . 1 . 1 23 23 3FB HB H 1 4.685 . . 1 . . . . A 23 B3F HB . 31160 1 163 . 1 . 1 23 23 3FB HD1 H 1 7.129 . . 1 . . . . A 23 B3F HD1 . 31160 1 164 . 1 . 1 23 23 3FB HE1 H 1 7.199 . . 1 . . . . A 23 B3F HE1 . 31160 1 165 . 1 . 1 23 23 3FB HG1 H 1 2.930 . . 2 . . . . A 23 B3F HG1 . 31160 1 166 . 1 . 1 23 23 3FB HG2 H 1 3.226 . . 2 . . . . A 23 B3F HG2 . 31160 1 167 . 1 . 1 23 23 3FB HN H 1 7.126 . . 1 . . . . A 23 B3F HN . 31160 1 168 . 1 . 1 23 23 3FB HZ H 1 7.035 . . 1 . . . . A 23 B3F HZ . 31160 1 169 . 1 . 1 24 24 ASN H H 1 8.081 . . 1 . . . . A 24 ASN H . 31160 1 170 . 1 . 1 24 24 ASN HA H 1 4.337 . . 1 . . . . A 24 ASN HA . 31160 1 171 . 1 . 1 24 24 ASN HB2 H 1 2.772 . . 2 . . . . A 24 ASN HB2 . 31160 1 172 . 1 . 1 24 24 ASN HB3 H 1 2.700 . . 2 . . . . A 24 ASN HB3 . 31160 1 173 . 1 . 1 24 24 ASN HD21 H 1 7.035 . . 2 . . . . A 24 ASN HD21 . 31160 1 174 . 1 . 1 24 24 ASN HD22 H 1 7.725 . . 2 . . . . A 24 ASN HD22 . 31160 1 175 . 1 . 1 25 25 ALA H H 1 7.629 . . 1 . . . . A 25 ALA H . 31160 1 176 . 1 . 1 25 25 ALA HA H 1 3.904 . . 1 . . . . A 25 ALA HA . 31160 1 177 . 1 . 1 25 25 ALA HB1 H 1 1.473 . . 1 . . . . A 25 ALA HB1 . 31160 1 178 . 1 . 1 25 25 ALA HB2 H 1 1.473 . . 1 . . . . A 25 ALA HB2 . 31160 1 179 . 1 . 1 25 25 ALA HB3 H 1 1.473 . . 1 . . . . A 25 ALA HB3 . 31160 1 180 . 1 . 1 26 26 B3I H1D2 H 1 0.973 . . 1 . . . . A 26 B3I H1D2 . 31160 1 181 . 1 . 1 26 26 B3I H1E1 H 1 0.847 . . 1 . . . . A 26 B3I H1E1 . 31160 1 182 . 1 . 1 26 26 B3I HA1 H 1 2.386 . . 2 . . . . A 26 B3I HA1 . 31160 1 183 . 1 . 1 26 26 B3I HA2 H 1 2.417 . . 2 . . . . A 26 B3I HA2 . 31160 1 184 . 1 . 1 26 26 B3I HB H 1 3.942 . . 1 . . . . A 26 B3I HB . 31160 1 185 . 1 . 1 26 26 B3I HD11 H 1 1.655 . . 2 . . . . A 26 B3I HD11 . 31160 1 186 . 1 . 1 26 26 B3I HD12 H 1 1.672 . . 2 . . . . A 26 B3I HD12 . 31160 1 187 . 1 . 1 26 26 B3I HG H 1 1.499 . . 1 . . . . A 26 B3I HG . 31160 1 188 . 1 . 1 26 26 B3I HN H 1 7.951 . . 1 . . . . A 26 B3I HN . 31160 1 189 . 1 . 1 27 27 ASN H H 1 8.181 . . 1 . . . . A 27 ASN H . 31160 1 190 . 1 . 1 27 27 ASN HA H 1 4.284 . . 1 . . . . A 27 ASN HA . 31160 1 191 . 1 . 1 27 27 ASN HB2 H 1 3.002 . . 2 . . . . A 27 ASN HB2 . 31160 1 192 . 1 . 1 27 27 ASN HB3 H 1 2.887 . . 2 . . . . A 27 ASN HB3 . 31160 1 193 . 1 . 1 27 27 ASN HD21 H 1 7.044 . . 2 . . . . A 27 ASN HD21 . 31160 1 194 . 1 . 1 27 27 ASN HD22 H 1 7.762 . . 2 . . . . A 27 ASN HD22 . 31160 1 195 . 1 . 1 28 28 LYS H H 1 8.226 . . 1 . . . . A 28 LYS H . 31160 1 196 . 1 . 1 28 28 LYS HA H 1 4.045 . . 1 . . . . A 28 LYS HA . 31160 1 197 . 1 . 1 28 28 LYS HB2 H 1 1.909 . . 2 . . . . A 28 LYS HB2 . 31160 1 198 . 1 . 1 28 28 LYS HB3 H 1 1.909 . . 2 . . . . A 28 LYS HB3 . 31160 1 199 . 1 . 1 28 28 LYS HG2 H 1 1.599 . . 2 . . . . A 28 LYS HG2 . 31160 1 200 . 1 . 1 28 28 LYS HG3 H 1 1.599 . . 2 . . . . A 28 LYS HG3 . 31160 1 201 . 1 . 1 28 28 LYS HD2 H 1 1.692 . . 2 . . . . A 28 LYS HD2 . 31160 1 202 . 1 . 1 28 28 LYS HD3 H 1 1.692 . . 2 . . . . A 28 LYS HD3 . 31160 1 203 . 1 . 1 28 28 LYS HE2 H 1 2.949 . . 2 . . . . A 28 LYS HE2 . 31160 1 204 . 1 . 1 28 28 LYS HE3 H 1 2.949 . . 2 . . . . A 28 LYS HE3 . 31160 1 205 . 1 . 1 29 29 ALA H H 1 7.287 . . 1 . . . . A 29 ALA H . 31160 1 206 . 1 . 1 29 29 ALA HA H 1 4.304 . . 1 . . . . A 29 ALA HA . 31160 1 207 . 1 . 1 29 29 ALA HB1 H 1 1.388 . . 1 . . . . A 29 ALA HB1 . 31160 1 208 . 1 . 1 29 29 ALA HB2 H 1 1.388 . . 1 . . . . A 29 ALA HB2 . 31160 1 209 . 1 . 1 29 29 ALA HB3 H 1 1.388 . . 1 . . . . A 29 ALA HB3 . 31160 1 210 . 1 . 1 30 30 LYS H H 1 8.983 . . 1 . . . . A 30 LYS H . 31160 1 211 . 1 . 1 30 30 LYS HA H 1 4.456 . . 1 . . . . A 30 LYS HA . 31160 1 212 . 1 . 1 30 30 LYS HB2 H 1 1.974 . . 2 . . . . A 30 LYS HB2 . 31160 1 213 . 1 . 1 30 30 LYS HB3 H 1 1.974 . . 2 . . . . A 30 LYS HB3 . 31160 1 214 . 1 . 1 30 30 LYS HG2 H 1 1.664 . . 2 . . . . A 30 LYS HG2 . 31160 1 215 . 1 . 1 30 30 LYS HG3 H 1 1.535 . . 2 . . . . A 30 LYS HG3 . 31160 1 216 . 1 . 1 30 30 LYS HD2 H 1 1.738 . . 2 . . . . A 30 LYS HD2 . 31160 1 217 . 1 . 1 30 30 LYS HD3 H 1 1.738 . . 2 . . . . A 30 LYS HD3 . 31160 1 218 . 1 . 1 30 30 LYS HE2 H 1 3.069 . . 2 . . . . A 30 LYS HE2 . 31160 1 219 . 1 . 1 30 30 LYS HE3 H 1 3.069 . . 2 . . . . A 30 LYS HE3 . 31160 1 220 . 1 . 1 31 31 THR H H 1 7.461 . . 1 . . . . A 31 THR H . 31160 1 221 . 1 . 1 31 31 THR HA H 1 4.835 . . 1 . . . . A 31 THR HA . 31160 1 222 . 1 . 1 31 31 THR HB H 1 4.744 . . 1 . . . . A 31 THR HB . 31160 1 223 . 1 . 1 31 31 THR HG21 H 1 1.265 . . 1 . . . . A 31 THR HG21 . 31160 1 224 . 1 . 1 31 31 THR HG22 H 1 1.265 . . 1 . . . . A 31 THR HG22 . 31160 1 225 . 1 . 1 31 31 THR HG23 H 1 1.265 . . 1 . . . . A 31 THR HG23 . 31160 1 226 . 1 . 1 32 32 VAL H H 1 9.009 . . 1 . . . . A 32 VAL H . 31160 1 227 . 1 . 1 32 32 VAL HA H 1 3.510 . . 1 . . . . A 32 VAL HA . 31160 1 228 . 1 . 1 32 32 VAL HB H 1 2.052 . . 1 . . . . A 32 VAL HB . 31160 1 229 . 1 . 1 32 32 VAL HG11 H 1 0.952 . . 2 . . . . A 32 VAL HG11 . 31160 1 230 . 1 . 1 32 32 VAL HG12 H 1 0.952 . . 2 . . . . A 32 VAL HG12 . 31160 1 231 . 1 . 1 32 32 VAL HG13 H 1 0.952 . . 2 . . . . A 32 VAL HG13 . 31160 1 232 . 1 . 1 32 32 VAL HG21 H 1 1.071 . . 2 . . . . A 32 VAL HG21 . 31160 1 233 . 1 . 1 32 32 VAL HG22 H 1 1.071 . . 2 . . . . A 32 VAL HG22 . 31160 1 234 . 1 . 1 32 32 VAL HG23 H 1 1.071 . . 2 . . . . A 32 VAL HG23 . 31160 1 235 . 1 . 1 33 33 GLU H H 1 8.799 . . 1 . . . . A 33 GLU H . 31160 1 236 . 1 . 1 33 33 GLU HA H 1 4.067 . . 1 . . . . A 33 GLU HA . 31160 1 237 . 1 . 1 33 33 GLU HB2 H 1 2.127 . . 2 . . . . A 33 GLU HB2 . 31160 1 238 . 1 . 1 33 33 GLU HB3 H 1 1.961 . . 2 . . . . A 33 GLU HB3 . 31160 1 239 . 1 . 1 33 33 GLU HG2 H 1 2.494 . . 2 . . . . A 33 GLU HG2 . 31160 1 240 . 1 . 1 33 33 GLU HG3 H 1 2.299 . . 2 . . . . A 33 GLU HG3 . 31160 1 241 . 1 . 1 34 34 GLU H H 1 8.064 . . 1 . . . . A 34 GLU H . 31160 1 242 . 1 . 1 34 34 GLU HA H 1 4.133 . . 1 . . . . A 34 GLU HA . 31160 1 243 . 1 . 1 34 34 GLU HB2 H 1 2.213 . . 2 . . . . A 34 GLU HB2 . 31160 1 244 . 1 . 1 34 34 GLU HB3 H 1 2.142 . . 2 . . . . A 34 GLU HB3 . 31160 1 245 . 1 . 1 34 34 GLU HG2 H 1 2.479 . . 2 . . . . A 34 GLU HG2 . 31160 1 246 . 1 . 1 34 34 GLU HG3 H 1 2.299 . . 2 . . . . A 34 GLU HG3 . 31160 1 247 . 1 . 1 35 35 VAL H H 1 8.188 . . 1 . . . . A 35 VAL H . 31160 1 248 . 1 . 1 35 35 VAL HA H 1 3.311 . . 1 . . . . A 35 VAL HA . 31160 1 249 . 1 . 1 35 35 VAL HB H 1 2.331 . . 1 . . . . A 35 VAL HB . 31160 1 250 . 1 . 1 35 35 VAL HG11 H 1 0.810 . . 2 . . . . A 35 VAL HG11 . 31160 1 251 . 1 . 1 35 35 VAL HG12 H 1 0.810 . . 2 . . . . A 35 VAL HG12 . 31160 1 252 . 1 . 1 35 35 VAL HG13 H 1 0.810 . . 2 . . . . A 35 VAL HG13 . 31160 1 253 . 1 . 1 35 35 VAL HG21 H 1 0.978 . . 2 . . . . A 35 VAL HG21 . 31160 1 254 . 1 . 1 35 35 VAL HG22 H 1 0.978 . . 2 . . . . A 35 VAL HG22 . 31160 1 255 . 1 . 1 35 35 VAL HG23 H 1 0.978 . . 2 . . . . A 35 VAL HG23 . 31160 1 256 . 1 . 1 36 36 ASN H H 1 8.404 . . 1 . . . . A 36 ASN H . 31160 1 257 . 1 . 1 36 36 ASN HA H 1 4.355 . . 1 . . . . A 36 ASN HA . 31160 1 258 . 1 . 1 36 36 ASN HB2 H 1 2.809 . . 2 . . . . A 36 ASN HB2 . 31160 1 259 . 1 . 1 36 36 ASN HB3 H 1 2.779 . . 2 . . . . A 36 ASN HB3 . 31160 1 260 . 1 . 1 36 36 ASN HD21 H 1 6.991 . . 2 . . . . A 36 ASN HD21 . 31160 1 261 . 1 . 1 36 36 ASN HD22 H 1 7.687 . . 2 . . . . A 36 ASN HD22 . 31160 1 262 . 1 . 1 37 37 ALA H H 1 8.147 . . 1 . . . . A 37 ALA H . 31160 1 263 . 1 . 1 37 37 ALA HA H 1 4.208 . . 1 . . . . A 37 ALA HA . 31160 1 264 . 1 . 1 37 37 ALA HB1 H 1 1.538 . . 1 . . . . A 37 ALA HB1 . 31160 1 265 . 1 . 1 37 37 ALA HB2 H 1 1.538 . . 1 . . . . A 37 ALA HB2 . 31160 1 266 . 1 . 1 37 37 ALA HB3 H 1 1.538 . . 1 . . . . A 37 ALA HB3 . 31160 1 267 . 1 . 1 38 38 LEU H H 1 8.367 . . 1 . . . . A 38 LEU H . 31160 1 268 . 1 . 1 38 38 LEU HA H 1 4.165 . . 1 . . . . A 38 LEU HA . 31160 1 269 . 1 . 1 38 38 LEU HB2 H 1 1.899 . . 2 . . . . A 38 LEU HB2 . 31160 1 270 . 1 . 1 38 38 LEU HB3 H 1 1.415 . . 2 . . . . A 38 LEU HB3 . 31160 1 271 . 1 . 1 38 38 LEU HG H 1 1.777 . . 1 . . . . A 38 LEU HG . 31160 1 272 . 1 . 1 38 38 LEU HD11 H 1 0.905 . . 2 . . . . A 38 LEU HD11 . 31160 1 273 . 1 . 1 38 38 LEU HD12 H 1 0.905 . . 2 . . . . A 38 LEU HD12 . 31160 1 274 . 1 . 1 38 38 LEU HD13 H 1 0.905 . . 2 . . . . A 38 LEU HD13 . 31160 1 275 . 1 . 1 38 38 LEU HD21 H 1 0.931 . . 2 . . . . A 38 LEU HD21 . 31160 1 276 . 1 . 1 38 38 LEU HD22 H 1 0.931 . . 2 . . . . A 38 LEU HD22 . 31160 1 277 . 1 . 1 38 38 LEU HD23 H 1 0.931 . . 2 . . . . A 38 LEU HD23 . 31160 1 278 . 1 . 1 39 39 LYS H H 1 8.666 . . 1 . . . . A 39 LYS H . 31160 1 279 . 1 . 1 39 39 LYS HA H 1 3.753 . . 1 . . . . A 39 LYS HA . 31160 1 280 . 1 . 1 39 39 LYS HB2 H 1 2.003 . . 2 . . . . A 39 LYS HB2 . 31160 1 281 . 1 . 1 39 39 LYS HB3 H 1 1.825 . . 2 . . . . A 39 LYS HB3 . 31160 1 282 . 1 . 1 39 39 LYS HG2 H 1 1.502 . . 2 . . . . A 39 LYS HG2 . 31160 1 283 . 1 . 1 39 39 LYS HG3 H 1 1.304 . . 2 . . . . A 39 LYS HG3 . 31160 1 284 . 1 . 1 39 39 LYS HD2 H 1 1.773 . . 2 . . . . A 39 LYS HD2 . 31160 1 285 . 1 . 1 39 39 LYS HD3 H 1 1.551 . . 2 . . . . A 39 LYS HD3 . 31160 1 286 . 1 . 1 39 39 LYS HE2 H 1 2.950 . . 2 . . . . A 39 LYS HE2 . 31160 1 287 . 1 . 1 39 39 LYS HE3 H 1 2.776 . . 2 . . . . A 39 LYS HE3 . 31160 1 288 . 1 . 1 40 40 ASN H H 1 7.978 . . 1 . . . . A 40 ASN H . 31160 1 289 . 1 . 1 40 40 ASN HA H 1 4.463 . . 1 . . . . A 40 ASN HA . 31160 1 290 . 1 . 1 40 40 ASN HB2 H 1 2.903 . . 2 . . . . A 40 ASN HB2 . 31160 1 291 . 1 . 1 40 40 ASN HB3 H 1 2.770 . . 2 . . . . A 40 ASN HB3 . 31160 1 292 . 1 . 1 40 40 ASN HD21 H 1 6.998 . . 2 . . . . A 40 ASN HD21 . 31160 1 293 . 1 . 1 40 40 ASN HD22 H 1 7.584 . . 2 . . . . A 40 ASN HD22 . 31160 1 294 . 1 . 1 41 41 GLU H H 1 8.134 . . 1 . . . . A 41 GLU H . 31160 1 295 . 1 . 1 41 41 GLU HA H 1 4.065 . . 1 . . . . A 41 GLU HA . 31160 1 296 . 1 . 1 41 41 GLU HB2 H 1 2.248 . . 2 . . . . A 41 GLU HB2 . 31160 1 297 . 1 . 1 41 41 GLU HB3 H 1 2.220 . . 2 . . . . A 41 GLU HB3 . 31160 1 298 . 1 . 1 41 41 GLU HG2 H 1 2.405 . . 2 . . . . A 41 GLU HG2 . 31160 1 299 . 1 . 1 41 41 GLU HG3 H 1 2.334 . . 2 . . . . A 41 GLU HG3 . 31160 1 300 . 1 . 1 42 42 ILE H H 1 8.577 . . 1 . . . . A 42 ILE H . 31160 1 301 . 1 . 1 42 42 ILE HA H 1 3.672 . . 1 . . . . A 42 ILE HA . 31160 1 302 . 1 . 1 42 42 ILE HB H 1 1.623 . . 1 . . . . A 42 ILE HB . 31160 1 303 . 1 . 1 42 42 ILE HG12 H 1 1.760 . . 2 . . . . A 42 ILE HG12 . 31160 1 304 . 1 . 1 42 42 ILE HG13 H 1 0.568 . . 2 . . . . A 42 ILE HG13 . 31160 1 305 . 1 . 1 42 42 ILE HG21 H 1 0.433 . . 1 . . . . A 42 ILE HG21 . 31160 1 306 . 1 . 1 42 42 ILE HG22 H 1 0.433 . . 1 . . . . A 42 ILE HG22 . 31160 1 307 . 1 . 1 42 42 ILE HG23 H 1 0.433 . . 1 . . . . A 42 ILE HG23 . 31160 1 308 . 1 . 1 42 42 ILE HD11 H 1 0.478 . . 1 . . . . A 42 ILE HD11 . 31160 1 309 . 1 . 1 42 42 ILE HD12 H 1 0.478 . . 1 . . . . A 42 ILE HD12 . 31160 1 310 . 1 . 1 42 42 ILE HD13 H 1 0.478 . . 1 . . . . A 42 ILE HD13 . 31160 1 311 . 1 . 1 43 43 LEU H H 1 8.240 . . 1 . . . . A 43 LEU H . 31160 1 312 . 1 . 1 43 43 LEU HA H 1 3.969 . . 1 . . . . A 43 LEU HA . 31160 1 313 . 1 . 1 43 43 LEU HB2 H 1 1.902 . . 2 . . . . A 43 LEU HB2 . 31160 1 314 . 1 . 1 43 43 LEU HB3 H 1 1.500 . . 2 . . . . A 43 LEU HB3 . 31160 1 315 . 1 . 1 43 43 LEU HG H 1 1.742 . . 1 . . . . A 43 LEU HG . 31160 1 316 . 1 . 1 43 43 LEU HD11 H 1 0.792 . . 2 . . . . A 43 LEU HD11 . 31160 1 317 . 1 . 1 43 43 LEU HD12 H 1 0.792 . . 2 . . . . A 43 LEU HD12 . 31160 1 318 . 1 . 1 43 43 LEU HD13 H 1 0.792 . . 2 . . . . A 43 LEU HD13 . 31160 1 319 . 1 . 1 43 43 LEU HD21 H 1 0.851 . . 2 . . . . A 43 LEU HD21 . 31160 1 320 . 1 . 1 43 43 LEU HD22 H 1 0.851 . . 2 . . . . A 43 LEU HD22 . 31160 1 321 . 1 . 1 43 43 LEU HD23 H 1 0.851 . . 2 . . . . A 43 LEU HD23 . 31160 1 322 . 1 . 1 44 44 LYS H H 1 7.979 . . 1 . . . . A 44 LYS H . 31160 1 323 . 1 . 1 44 44 LYS HA H 1 4.077 . . 1 . . . . A 44 LYS HA . 31160 1 324 . 1 . 1 44 44 LYS HB2 H 1 1.917 . . 2 . . . . A 44 LYS HB2 . 31160 1 325 . 1 . 1 44 44 LYS HB3 H 1 1.917 . . 2 . . . . A 44 LYS HB3 . 31160 1 326 . 1 . 1 44 44 LYS HG2 H 1 1.555 . . 2 . . . . A 44 LYS HG2 . 31160 1 327 . 1 . 1 44 44 LYS HG3 H 1 1.555 . . 2 . . . . A 44 LYS HG3 . 31160 1 328 . 1 . 1 44 44 LYS HD2 H 1 1.685 . . 2 . . . . A 44 LYS HD2 . 31160 1 329 . 1 . 1 44 44 LYS HD3 H 1 1.685 . . 2 . . . . A 44 LYS HD3 . 31160 1 330 . 1 . 1 44 44 LYS HE2 H 1 2.962 . . 2 . . . . A 44 LYS HE2 . 31160 1 331 . 1 . 1 44 44 LYS HE3 H 1 2.962 . . 2 . . . . A 44 LYS HE3 . 31160 1 332 . 1 . 1 45 45 ALA H H 1 7.947 . . 1 . . . . A 45 ALA H . 31160 1 333 . 1 . 1 45 45 ALA HA H 1 4.208 . . 1 . . . . A 45 ALA HA . 31160 1 334 . 1 . 1 45 45 ALA HB1 H 1 1.494 . . 1 . . . . A 45 ALA HB1 . 31160 1 335 . 1 . 1 45 45 ALA HB2 H 1 1.494 . . 1 . . . . A 45 ALA HB2 . 31160 1 336 . 1 . 1 45 45 ALA HB3 H 1 1.494 . . 1 . . . . A 45 ALA HB3 . 31160 1 337 . 1 . 1 46 46 HIS H H 1 8.052 . . 1 . . . . A 46 HIS H . 31160 1 338 . 1 . 1 46 46 HIS HA H 1 4.527 . . 1 . . . . A 46 HIS HA . 31160 1 339 . 1 . 1 46 46 HIS HB2 H 1 3.377 . . 2 . . . . A 46 HIS HB2 . 31160 1 340 . 1 . 1 46 46 HIS HB3 H 1 3.048 . . 2 . . . . A 46 HIS HB3 . 31160 1 341 . 1 . 1 46 46 HIS HD2 H 1 7.346 . . 1 . . . . A 46 HIS HD2 . 31160 1 342 . 1 . 1 46 46 HIS HE1 H 1 8.379 . . 1 . . . . A 46 HIS HE1 . 31160 1 343 . 1 . 1 47 47 ALA H H 1 7.825 . . 1 . . . . A 47 ALA H . 31160 1 344 . 1 . 1 47 47 ALA HA H 1 4.231 . . 1 . . . . A 47 ALA HA . 31160 1 345 . 1 . 1 47 47 ALA HB1 H 1 1.494 . . 1 . . . . A 47 ALA HB1 . 31160 1 346 . 1 . 1 47 47 ALA HB2 H 1 1.494 . . 1 . . . . A 47 ALA HB2 . 31160 1 347 . 1 . 1 47 47 ALA HB3 H 1 1.494 . . 1 . . . . A 47 ALA HB3 . 31160 1 348 . 1 . 1 48 48 NH2 HN1 H 1 7.205 . . 2 . . . . A 48 NH2 HN1 . 31160 1 349 . 1 . 1 48 48 NH2 HN2 H 1 7.354 . . 2 . . . . A 48 NH2 HN2 . 31160 1 stop_ save_