data_nef_2mw6 save_entry_information # _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2MW6 _Entry.Assigned_BMRB_ID 25300 # loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2MW6 general_distance_constraints 1 2MW6 stop_ save_ save_assembly # _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 2MW6 _Assembly.ID 1 _Assembly.Name Melittin _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 3144.829 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . # loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 '$entity_1' A A yes . . . . 'Allergen Api m 3, Allergen Api m III' ? 2MW6 1 2 entity_3UQ 2 '$entity_3UQ' B A . . . . . . ? 2MW6 1 stop_ # loop_ _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID 1 1 1 GLY 1 A 1 GLY . start no 2MW6 1 1 1 2 ILE 2 A 2 ILE . middle . 2MW6 1 1 1 3 GLY 3 A 3 GLY . middle no 2MW6 1 1 1 4 ALA 4 A 4 ALA . middle . 2MW6 1 1 1 5 VAL 5 A 5 VAL . middle . 2MW6 1 1 1 6 LEU 6 A 6 LEU . middle . 2MW6 1 1 1 7 LYS 7 A 7 LYS . middle . 2MW6 1 1 1 8 VAL 8 A 8 VAL . middle . 2MW6 1 1 1 9 LEU 9 A 9 LEU . middle . 2MW6 1 1 1 10 THR 10 A 10 THR . middle . 2MW6 1 1 1 11 THR 11 A 11 THR . middle . 2MW6 1 1 1 12 GLY 12 A 12 GLY . middle no 2MW6 1 1 1 13 LEU 13 A 13 LEU . middle . 2MW6 1 1 1 14 PRO 14 A 14 PRO . middle no 2MW6 1 1 1 15 ALA 15 A 15 ALA . middle . 2MW6 1 1 1 16 LEU 16 A 16 LEU . middle . 2MW6 1 1 1 17 ILE 17 A 17 ILE . middle . 2MW6 1 1 1 18 SER 18 A 18 SER . middle . 2MW6 1 1 1 19 TRP 19 A 19 TRP . middle . 2MW6 1 1 1 20 ILE 20 A 20 ILE . middle . 2MW6 1 1 1 21 LYS 21 A 21 LYS . middle . 2MW6 1 1 1 22 ARG 22 A 22 ARG . middle . 2MW6 1 1 1 23 LYS 23 A 23 LYS . middle . 2MW6 1 1 1 24 ARG 24 A 24 ARG . middle . 2MW6 1 1 1 25 GLN 25 A 25 GLN . middle . 2MW6 1 1 1 26 GLN 26 A 26 GLN . middle . 2MW6 1 1 1 27 NH2 27 A 27 NH2 . end . 2MW6 1 2 2 1 3UQ 1 A 101 3UQ . . . 2MW6 1 stop_ # loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent sing 1 entity_1 1 GLN 26 26 C 1 entity_1 1 NH2 27 27 N A 26 GLN C A 27 NH2 N 2MW6 1 stop_ # loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 1 GLN 26 26 OXT A 26 GLN OXT 2MW6 1 stop_ save_ save_entity_1 # _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 2MW6 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Melittin _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type 'polypeptide(L)' _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can GIGAVLKVLTTGLPALISWIKRKRQQX _Entity.Polymer_seq_one_letter_code 'GIGAVLKVLTTGLPALISWIKRKRQQ(NH2)' _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 27 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method nat _Entity.Parent_entity_ID . _Entity.Fragment 'residues 44-69' _Entity.Mutation ? _Entity.EC_number ? _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2850.495 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ? _Entity.DB_query_date . _Entity.DB_query_revised_last_date . # loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Allergen Api m 3, Allergen Api m III' common 2MW6 1 stop_ # loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 2MW6 1 2 2 ILE . 2MW6 1 3 3 GLY . 2MW6 1 4 4 ALA . 2MW6 1 5 5 VAL . 2MW6 1 6 6 LEU . 2MW6 1 7 7 LYS . 2MW6 1 8 8 VAL . 2MW6 1 9 9 LEU . 2MW6 1 10 10 THR . 2MW6 1 11 11 THR . 2MW6 1 12 12 GLY . 2MW6 1 13 13 LEU . 2MW6 1 14 14 PRO . 2MW6 1 15 15 ALA . 2MW6 1 16 16 LEU . 2MW6 1 17 17 ILE . 2MW6 1 18 18 SER . 2MW6 1 19 19 TRP . 2MW6 1 20 20 ILE . 2MW6 1 21 21 LYS . 2MW6 1 22 22 ARG . 2MW6 1 23 23 LYS . 2MW6 1 24 24 ARG . 2MW6 1 25 25 GLN . 2MW6 1 26 26 GLN . 2MW6 1 27 27 NH2 '$chem_comp_NH2' 2MW6 1 stop_ # loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 2MW6 1 . ILE 2 2 2MW6 1 . GLY 3 3 2MW6 1 . ALA 4 4 2MW6 1 . VAL 5 5 2MW6 1 . LEU 6 6 2MW6 1 . LYS 7 7 2MW6 1 . VAL 8 8 2MW6 1 . LEU 9 9 2MW6 1 . THR 10 10 2MW6 1 . THR 11 11 2MW6 1 . GLY 12 12 2MW6 1 . LEU 13 13 2MW6 1 . PRO 14 14 2MW6 1 . ALA 15 15 2MW6 1 . LEU 16 16 2MW6 1 . ILE 17 17 2MW6 1 . SER 18 18 2MW6 1 . TRP 19 19 2MW6 1 . ILE 20 20 2MW6 1 . LYS 21 21 2MW6 1 . ARG 22 22 2MW6 1 . LYS 23 23 2MW6 1 . ARG 24 24 2MW6 1 . GLN 25 25 2MW6 1 . GLN 26 26 2MW6 1 . NH2 27 27 2MW6 1 stop_ save_ save_entity_3UQ # _Entity.Sf_category entity _Entity.Sf_framecode entity_3UQ _Entity.Entry_ID 2MW6 _Entity.ID 2 _Entity.BMRB_code 3UQ _Entity.Name '[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+)' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 3UQ _Entity.Nonpolymer_comp_label '$chem_comp_3UQ' _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 294.334 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ? _Entity.DB_query_date . _Entity.DB_query_revised_last_date . # loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 101 3UQ '$chem_comp_3UQ' 2MW6 2 stop_ save_ save_chemical_shift_reference_1 # _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 2MW6 _Chem_shift_reference.ID 1 # loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 methanol 'methyl protons' . . . . ppm 3.31 internal direct 1 2MW6 1 C 13 methanol 'methyl carbon' . . . . ppm 49.00 internal direct 1 2MW6 1 stop_ save_ save_assigned_chem_shift_list_1 # _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 2MW6 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Data_file_name Mel_shs_nmr_star.txt _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 # loop_ _Atom_chem_shift.ID _Atom_chem_shift.Entity_assembly_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_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Original_PDB_strand_ID _Atom_chem_shift.Original_PDB_residue_no _Atom_chem_shift.Original_PDB_residue_name _Atom_chem_shift.Original_PDB_atom_name _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 1 1 1 1 GLY HA3 H 1 4.306 . . . . . . A 1 GLY HA3 A 1 GLY HA2 . 2MW6 1 2 1 1 1 1 GLY HA2 H 1 3.893 . . . . . . A 1 GLY HA2 A 1 GLY HA1 . 2MW6 1 3 1 1 1 1 GLY CA C 13 40.53 . . 1 . . . A 1 GLY CA A 1 GLY CA . 2MW6 1 4 1 1 2 2 ILE H H 1 9.067 . . 1 . . . A 2 ILE H A 2 ILE HN . 2MW6 1 5 1 1 2 2 ILE HA H 1 4.042 . . 1 . . . A 2 ILE HA A 2 ILE HA . 2MW6 1 6 1 1 2 2 ILE HB H 1 1.893 . . 1 . . . A 2 ILE HB A 2 ILE HB . 2MW6 1 7 1 1 2 2 ILE HG12 H 1 1.371 . . . . . . A 2 ILE HG12 A 2 ILE HG12 . 2MW6 1 8 1 1 2 2 ILE HG13 H 1 1.604 . . . . . . A 2 ILE HG13 A 2 ILE HG11 . 2MW6 1 9 1 1 2 2 ILE HG21 H 1 0.995 . . 1 . . . A 2 ILE HG21 A 2 ILE HG21 . 2MW6 1 10 1 1 2 2 ILE HG22 H 1 0.995 . . 1 . . . A 2 ILE HG22 A 2 ILE HG22 . 2MW6 1 11 1 1 2 2 ILE HG23 H 1 0.995 . . 1 . . . A 2 ILE HG23 A 2 ILE HG23 . 2MW6 1 12 1 1 2 2 ILE HD11 H 1 1.024 . . 1 . . . A 2 ILE HD11 A 2 ILE HD11 . 2MW6 1 13 1 1 2 2 ILE HD12 H 1 1.024 . . 1 . . . A 2 ILE HD12 A 2 ILE HD12 . 2MW6 1 14 1 1 2 2 ILE HD13 H 1 1.024 . . 1 . . . A 2 ILE HD13 A 2 ILE HD13 . 2MW6 1 15 1 1 2 2 ILE CA C 13 60.43 . . 1 . . . A 2 ILE CA A 2 ILE CA . 2MW6 1 16 1 1 2 2 ILE CB C 13 36.14 . . 1 . . . A 2 ILE CB A 2 ILE CB . 2MW6 1 17 1 1 3 3 GLY H H 1 8.961 . . 1 . . . A 3 GLY H A 3 GLY HN . 2MW6 1 18 1 1 3 3 GLY HA2 H 1 3.768 . . . . . . A 3 GLY HA2 A 3 GLY HA2 . 2MW6 1 19 1 1 3 3 GLY HA3 H 1 3.866 . . . . . . A 3 GLY HA3 A 3 GLY HA1 . 2MW6 1 20 1 1 4 4 ALA H H 1 7.928 . . 1 . . . A 4 ALA H A 4 ALA HN . 2MW6 1 21 1 1 4 4 ALA HA H 1 4.080 . . 1 . . . A 4 ALA HA A 4 ALA HA . 2MW6 1 22 1 1 4 4 ALA HB1 H 1 1.546 . . 1 . . . A 4 ALA HB1 A 4 ALA HB1 . 2MW6 1 23 1 1 4 4 ALA HB2 H 1 1.546 . . 1 . . . A 4 ALA HB2 A 4 ALA HB2 . 2MW6 1 24 1 1 4 4 ALA HB3 H 1 1.546 . . 1 . . . A 4 ALA HB3 A 4 ALA HB3 . 2MW6 1 25 1 1 4 4 ALA CA C 13 52.65 . . 1 . . . A 4 ALA CA A 4 ALA CA . 2MW6 1 26 1 1 5 5 VAL H H 1 7.493 . . 1 . . . A 5 VAL H A 5 VAL HN . 2MW6 1 27 1 1 5 5 VAL HA H 1 3.579 . . 1 . . . A 5 VAL HA A 5 VAL HA . 2MW6 1 28 1 1 5 5 VAL HB H 1 2.317 . . 1 . . . A 5 VAL HB A 5 VAL HB . 2MW6 1 29 1 1 5 5 VAL HG11 H 1 1.101 . . . . . . A 5 VAL HG11 A 5 VAL HG11 . 2MW6 1 30 1 1 5 5 VAL HG12 H 1 1.101 . . . . . . A 5 VAL HG12 A 5 VAL HG12 . 2MW6 1 31 1 1 5 5 VAL HG13 H 1 1.101 . . . . . . A 5 VAL HG13 A 5 VAL HG13 . 2MW6 1 32 1 1 5 5 VAL HG21 H 1 0.983 . . . . . . A 5 VAL HG21 A 5 VAL HG21 . 2MW6 1 33 1 1 5 5 VAL HG22 H 1 0.983 . . . . . . A 5 VAL HG22 A 5 VAL HG22 . 2MW6 1 34 1 1 5 5 VAL HG23 H 1 0.983 . . . . . . A 5 VAL HG23 A 5 VAL HG23 . 2MW6 1 35 1 1 5 5 VAL CA C 13 63.91 . . 1 . . . A 5 VAL CA A 5 VAL CA . 2MW6 1 36 1 1 6 6 LEU H H 1 8.26 . . 1 . . . A 6 LEU H A 6 LEU HN . 2MW6 1 37 1 1 6 6 LEU HA H 1 4.09 . . 1 . . . A 6 LEU HA A 6 LEU HA . 2MW6 1 38 1 1 7 7 LYS H H 1 8.26 . . 1 . . . A 7 LYS H A 7 LYS HN . 2MW6 1 39 1 1 7 7 LYS HA H 1 4.09 . . 1 . . . A 7 LYS HA A 7 LYS HA . 2MW6 1 40 1 1 8 8 VAL H H 1 8.153 . . 1 . . . A 8 VAL H A 8 VAL HN . 2MW6 1 41 1 1 8 8 VAL HA H 1 3.699 . . 1 . . . A 8 VAL HA A 8 VAL HA . 2MW6 1 42 1 1 8 8 VAL HB H 1 2.352 . . 1 . . . A 8 VAL HB A 8 VAL HB . 2MW6 1 43 1 1 8 8 VAL HG11 H 1 1.151 . . . . . . A 8 VAL HG11 A 8 VAL HG11 . 2MW6 1 44 1 1 8 8 VAL HG12 H 1 1.151 . . . . . . A 8 VAL HG12 A 8 VAL HG12 . 2MW6 1 45 1 1 8 8 VAL HG13 H 1 1.151 . . . . . . A 8 VAL HG13 A 8 VAL HG13 . 2MW6 1 46 1 1 8 8 VAL HG21 H 1 1.010 . . . . . . A 8 VAL HG21 A 8 VAL HG21 . 2MW6 1 47 1 1 8 8 VAL HG22 H 1 1.010 . . . . . . A 8 VAL HG22 A 8 VAL HG22 . 2MW6 1 48 1 1 8 8 VAL HG23 H 1 1.010 . . . . . . A 8 VAL HG23 A 8 VAL HG23 . 2MW6 1 49 1 1 8 8 VAL CA C 13 64.40 . . 1 . . . A 8 VAL CA A 8 VAL CA . 2MW6 1 50 1 1 9 9 LEU H H 1 8.324 . . 1 . . . A 9 LEU H A 9 LEU HN . 2MW6 1 51 1 1 9 9 LEU HA H 1 4.157 . . 1 . . . A 9 LEU HA A 9 LEU HA . 2MW6 1 52 1 1 9 9 LEU HB2 H 1 2.019 . . . . . . A 9 LEU HB2 A 9 LEU HB2 . 2MW6 1 53 1 1 9 9 LEU HB3 H 1 2.019 . . . . . . A 9 LEU HB3 A 9 LEU HB1 . 2MW6 1 54 1 1 9 9 LEU HG H 1 1.988 . . 1 . . . A 9 LEU HG A 9 LEU HG . 2MW6 1 55 1 1 9 9 LEU HD11 H 1 0.916 . . . . . . A 9 LEU HD11 A 9 LEU HD11 . 2MW6 1 56 1 1 9 9 LEU HD12 H 1 0.916 . . . . . . A 9 LEU HD12 A 9 LEU HD12 . 2MW6 1 57 1 1 9 9 LEU HD13 H 1 0.916 . . . . . . A 9 LEU HD13 A 9 LEU HD13 . 2MW6 1 58 1 1 9 9 LEU HD21 H 1 0.916 . . . . . . A 9 LEU HD21 A 9 LEU HD21 . 2MW6 1 59 1 1 9 9 LEU HD22 H 1 0.916 . . . . . . A 9 LEU HD22 A 9 LEU HD22 . 2MW6 1 60 1 1 9 9 LEU HD23 H 1 0.916 . . . . . . A 9 LEU HD23 A 9 LEU HD23 . 2MW6 1 61 1 1 10 10 THR H H 1 8.132 . . 1 . . . A 10 THR H A 10 THR HN . 2MW6 1 62 1 1 10 10 THR HA H 1 4.150 . . 1 . . . A 10 THR HA A 10 THR HA . 2MW6 1 63 1 1 10 10 THR HB H 1 4.337 . . 1 . . . A 10 THR HB A 10 THR HB . 2MW6 1 64 1 1 10 10 THR HG1 H 1 1.323 . . 1 . . . A 10 THR HG1 A 10 THR HG1 . 2MW6 1 65 1 1 10 10 THR CA C 13 62.65 . . 1 . . . A 10 THR CA A 10 THR CA . 2MW6 1 66 1 1 10 10 THR CB C 13 66.90 . . 1 . . . A 10 THR CB A 10 THR CB . 2MW6 1 67 1 1 11 11 THR H H 1 7.869 . . 1 . . . A 11 THR H A 11 THR HN . 2MW6 1 68 1 1 11 11 THR HA H 1 4.313 . . 1 . . . A 11 THR HA A 11 THR HA . 2MW6 1 69 1 1 11 11 THR HB H 1 4.313 . . 1 . . . A 11 THR HB A 11 THR HB . 2MW6 1 70 1 1 11 11 THR HG1 H 1 1.313 . . 1 . . . A 11 THR HG1 A 11 THR HG1 . 2MW6 1 71 1 1 11 11 THR CA C 13 61.73 . . 1 . . . A 11 THR CA A 11 THR CA . 2MW6 1 72 1 1 11 11 THR CB C 13 67.41 . . 1 . . . A 11 THR CB A 11 THR CB . 2MW6 1 73 1 1 12 12 GLY H H 1 8.188 . . 1 . . . A 12 GLY H A 12 GLY HN . 2MW6 1 74 1 1 12 12 GLY HA2 H 1 4.120 . . . . . . A 12 GLY HA2 A 12 GLY HA2 . 2MW6 1 75 1 1 12 12 GLY HA3 H 1 3.958 . . . . . . A 12 GLY HA3 A 12 GLY HA1 . 2MW6 1 76 1 1 12 12 GLY CA C 13 43.24 . . 1 . . . A 12 GLY CA A 12 GLY CA . 2MW6 1 77 1 1 13 13 LEU H H 1 8.321 . . 1 . . . A 13 LEU H A 13 LEU HN . 2MW6 1 78 1 1 13 13 LEU HA H 1 4.388 . . 1 . . . A 13 LEU HA A 13 LEU HA . 2MW6 1 79 1 1 13 13 LEU HB2 H 1 1.989 . . . . . . A 13 LEU HB2 A 13 LEU HB2 . 2MW6 1 80 1 1 13 13 LEU HB3 H 1 1.921 . . . . . . A 13 LEU HB3 A 13 LEU HB1 . 2MW6 1 81 1 1 13 13 LEU HG H 1 1.815 . . 1 . . . A 13 LEU HG A 13 LEU HG . 2MW6 1 82 1 1 13 13 LEU HD11 H 1 1.060 . . . . . . A 13 LEU HD11 A 13 LEU HD11 . 2MW6 1 83 1 1 13 13 LEU HD12 H 1 1.060 . . . . . . A 13 LEU HD12 A 13 LEU HD12 . 2MW6 1 84 1 1 13 13 LEU HD13 H 1 1.060 . . . . . . A 13 LEU HD13 A 13 LEU HD13 . 2MW6 1 85 1 1 13 13 LEU HD21 H 1 0.994 . . . . . . A 13 LEU HD21 A 13 LEU HD21 . 2MW6 1 86 1 1 13 13 LEU HD22 H 1 0.994 . . . . . . A 13 LEU HD22 A 13 LEU HD22 . 2MW6 1 87 1 1 13 13 LEU HD23 H 1 0.994 . . . . . . A 13 LEU HD23 A 13 LEU HD23 . 2MW6 1 88 1 1 13 13 LEU CA C 13 56.76 . . 1 . . . A 13 LEU CA A 13 LEU CA . 2MW6 1 89 1 1 14 14 PRO HA H 1 4.240 . . 1 . . . A 14 PRO HA A 14 PRO HA . 2MW6 1 90 1 1 14 14 PRO HB2 H 1 2.357 . . . . . . A 14 PRO HB2 A 14 PRO HB2 . 2MW6 1 91 1 1 14 14 PRO HB3 H 1 1.962 . . . . . . A 14 PRO HB3 A 14 PRO HB1 . 2MW6 1 92 1 1 14 14 PRO HG2 H 1 2.248 . . . . . . A 14 PRO HG2 A 14 PRO HG2 . 2MW6 1 93 1 1 14 14 PRO HG3 H 1 1.962 . . . . . . A 14 PRO HG3 A 14 PRO HG1 . 2MW6 1 94 1 1 14 14 PRO HD2 H 1 3.796 . . . . . . A 14 PRO HD2 A 14 PRO HD2 . 2MW6 1 95 1 1 14 14 PRO HD3 H 1 3.796 . . . . . . A 14 PRO HD3 A 14 PRO HD1 . 2MW6 1 96 1 1 14 14 PRO CA C 13 64.11 . . 1 . . . A 14 PRO CA A 14 PRO CA . 2MW6 1 97 1 1 14 14 PRO CD C 13 47.31 . . 1 . . . A 14 PRO CD A 14 PRO CD . 2MW6 1 98 1 1 15 15 ALA H H 1 7.554 . . 1 . . . A 15 ALA H A 15 ALA HN . 2MW6 1 99 1 1 15 15 ALA HA H 1 4.189 . . 1 . . . A 15 ALA HA A 15 ALA HA . 2MW6 1 100 1 1 15 15 ALA HB1 H 1 1.579 . . 1 . . . A 15 ALA HB1 A 15 ALA HB1 . 2MW6 1 101 1 1 15 15 ALA HB2 H 1 1.579 . . 1 . . . A 15 ALA HB2 A 15 ALA HB2 . 2MW6 1 102 1 1 15 15 ALA HB3 H 1 1.579 . . 1 . . . A 15 ALA HB3 A 15 ALA HB3 . 2MW6 1 103 1 1 16 16 LEU H H 1 8.166 . . 1 . . . A 16 LEU H A 16 LEU HN . 2MW6 1 104 1 1 16 16 LEU HA H 1 4.235 . . 1 . . . A 16 LEU HA A 16 LEU HA . 2MW6 1 105 1 1 16 16 LEU HB2 H 1 2.085 . . . . . . A 16 LEU HB2 A 16 LEU HB2 . 2MW6 1 106 1 1 16 16 LEU HB3 H 1 1.780 . . . . . . A 16 LEU HB3 A 16 LEU HB1 . 2MW6 1 107 1 1 16 16 LEU HG H 1 1.780 . . 1 . . . A 16 LEU HG A 16 LEU HG . 2MW6 1 108 1 1 16 16 LEU HD11 H 1 0.961 . . . . . . A 16 LEU HD11 A 16 LEU HD11 . 2MW6 1 109 1 1 16 16 LEU HD12 H 1 0.961 . . . . . . A 16 LEU HD12 A 16 LEU HD12 . 2MW6 1 110 1 1 16 16 LEU HD13 H 1 0.961 . . . . . . A 16 LEU HD13 A 16 LEU HD13 . 2MW6 1 111 1 1 16 16 LEU HD21 H 1 0.961 . . . . . . A 16 LEU HD21 A 16 LEU HD21 . 2MW6 1 112 1 1 16 16 LEU HD22 H 1 0.961 . . . . . . A 16 LEU HD22 A 16 LEU HD22 . 2MW6 1 113 1 1 16 16 LEU HD23 H 1 0.961 . . . . . . A 16 LEU HD23 A 16 LEU HD23 . 2MW6 1 114 1 1 16 16 LEU CA C 13 55.95 . . 1 . . . A 16 LEU CA A 16 LEU CA . 2MW6 1 115 1 1 17 17 ILE H H 1 8.611 . . 1 . . . A 17 ILE H A 17 ILE HN . 2MW6 1 116 1 1 17 17 ILE HA H 1 3.728 . . 1 . . . A 17 ILE HA A 17 ILE HA . 2MW6 1 117 1 1 17 17 ILE HB H 1 2.078 . . 1 . . . A 17 ILE HB A 17 ILE HB . 2MW6 1 118 1 1 17 17 ILE HG12 H 1 1.783 . . . . . . A 17 ILE HG12 A 17 ILE HG12 . 2MW6 1 119 1 1 17 17 ILE HG13 H 1 1.307 . . . . . . A 17 ILE HG13 A 17 ILE HG11 . 2MW6 1 120 1 1 17 17 ILE HG21 H 1 0.897 . . 1 . . . A 17 ILE HG21 A 17 ILE HG21 . 2MW6 1 121 1 1 17 17 ILE HG22 H 1 0.897 . . 1 . . . A 17 ILE HG22 A 17 ILE HG22 . 2MW6 1 122 1 1 17 17 ILE HG23 H 1 0.897 . . 1 . . . A 17 ILE HG23 A 17 ILE HG23 . 2MW6 1 123 1 1 17 17 ILE HD11 H 1 0.979 . . 1 . . . A 17 ILE HD11 A 17 ILE HD11 . 2MW6 1 124 1 1 17 17 ILE HD12 H 1 0.979 . . 1 . . . A 17 ILE HD12 A 17 ILE HD12 . 2MW6 1 125 1 1 17 17 ILE HD13 H 1 0.979 . . 1 . . . A 17 ILE HD13 A 17 ILE HD13 . 2MW6 1 126 1 1 17 17 ILE CA C 13 62.46 . . 1 . . . A 17 ILE CA A 17 ILE CA . 2MW6 1 127 1 1 18 18 SER H H 1 8.395 . . 1 . . . A 18 SER H A 18 SER HN . 2MW6 1 128 1 1 18 18 SER HA H 1 4.123 . . 1 . . . A 18 SER HA A 18 SER HA . 2MW6 1 129 1 1 18 18 SER HB2 H 1 4.053 . . . . . . A 18 SER HB2 A 18 SER HB2 . 2MW6 1 130 1 1 18 18 SER HB3 H 1 4.053 . . . . . . A 18 SER HB3 A 18 SER HB1 . 2MW6 1 131 1 1 18 18 SER CA C 13 54.95 . . 1 . . . A 18 SER CA A 18 SER CA . 2MW6 1 132 1 1 18 18 SER CB C 13 55.83 . . 1 . . . A 18 SER CB A 18 SER CB . 2MW6 1 133 1 1 19 19 TRP H H 1 8.436 . . 1 . . . A 19 TRP H A 19 TRU H . 2MW6 1 134 1 1 19 19 TRP HA H 1 4.148 . . 1 . . . A 19 TRP HA A 19 TRU HA . 2MW6 1 135 1 1 19 19 TRP HB2 H 1 3.581 . . . . . . A 19 TRP HB2 A 19 TRU HB2 . 2MW6 1 136 1 1 19 19 TRP HB3 H 1 3.446 . . . . . . A 19 TRP HB3 A 19 TRU HB1 . 2MW6 1 137 1 1 19 19 TRP HD1 H 1 7.628 . . 1 . . . A 19 TRP HD1 A 19 TRU HD1 . 2MW6 1 138 1 1 19 19 TRP HE1 H 1 8.593 . . 1 . . . A 19 TRP HE1 A 19 TRU HE1 . 2MW6 1 139 1 1 19 19 TRP HE3 H 1 7.044 . . 1 . . . A 19 TRP HE3 A 19 TRU HE3 . 2MW6 1 140 1 1 19 19 TRP HZ2 H 1 6.845 . . 1 . . . A 19 TRP HZ2 A 19 TRU HZ2 . 2MW6 1 141 1 1 19 19 TRP HZ3 H 1 5.959 . . 1 . . . A 19 TRP HZ3 A 19 TRU HZ3 . 2MW6 1 142 1 1 19 19 TRP HH2 H 1 5.865 . . 1 . . . A 19 TRP HH2 A 19 TRU HH2 . 2MW6 1 143 1 1 19 19 TRP CA C 13 58.82 . . 1 . . . A 19 TRP CA A 19 TRU CA . 2MW6 1 144 1 1 20 20 ILE H H 1 8.564 . . 1 . . . A 20 ILE H A 20 ILE HN . 2MW6 1 145 1 1 20 20 ILE HA H 1 3.540 . . 1 . . . A 20 ILE HA A 20 ILE HA . 2MW6 1 146 1 1 20 20 ILE HB H 1 2.112 . . 1 . . . A 20 ILE HB A 20 ILE HB . 2MW6 1 147 1 1 20 20 ILE HG12 H 1 2.141 . . . . . . A 20 ILE HG12 A 20 ILE HG12 . 2MW6 1 148 1 1 20 20 ILE HG13 H 1 1.209 . . . . . . A 20 ILE HG13 A 20 ILE HG11 . 2MW6 1 149 1 1 20 20 ILE HG21 H 1 0.964 . . 1 . . . A 20 ILE HG21 A 20 ILE HG21 . 2MW6 1 150 1 1 20 20 ILE HG22 H 1 0.964 . . 1 . . . A 20 ILE HG22 A 20 ILE HG22 . 2MW6 1 151 1 1 20 20 ILE HG23 H 1 0.964 . . 1 . . . A 20 ILE HG23 A 20 ILE HG23 . 2MW6 1 152 1 1 20 20 ILE CA C 13 63.30 . . 1 . . . A 20 ILE CA A 20 ILE CA . 2MW6 1 153 1 1 21 21 LYS H H 1 8.594 . . 1 . . . A 21 LYS H A 21 LYS HN . 2MW6 1 154 1 1 21 21 LYS HA H 1 3.890 . . 1 . . . A 21 LYS HA A 21 LYS HA . 2MW6 1 155 1 1 21 21 LYS HB2 H 1 1.929 . . . . . . A 21 LYS HB2 A 21 LYS HB2 . 2MW6 1 156 1 1 21 21 LYS HB3 H 1 1.995 . . . . . . A 21 LYS HB3 A 21 LYS HB1 . 2MW6 1 157 1 1 21 21 LYS HG2 H 1 1.434 . . . . . . A 21 LYS HG2 A 21 LYS HG2 . 2MW6 1 158 1 1 21 21 LYS HG3 H 1 1.434 . . . . . . A 21 LYS HG3 A 21 LYS HG1 . 2MW6 1 159 1 1 21 21 LYS HD2 H 1 1.671 . . . . . . A 21 LYS HD2 A 21 LYS HD2 . 2MW6 1 160 1 1 21 21 LYS HD3 H 1 1.671 . . . . . . A 21 LYS HD3 A 21 LYS HD1 . 2MW6 1 161 1 1 21 21 LYS HE2 H 1 2.891 . . . . . . A 21 LYS HE2 A 21 LYS HE2 . 2MW6 1 162 1 1 21 21 LYS HE3 H 1 2.891 . . . . . . A 21 LYS HE3 A 21 LYS HE1 . 2MW6 1 163 1 1 21 21 LYS CA C 13 57.90 . . 1 . . . A 21 LYS CA A 21 LYS CA . 2MW6 1 164 1 1 22 22 ARG H H 1 8.26 . . 1 . . . A 22 ARG H A 22 ARG HN . 2MW6 1 165 1 1 22 22 ARG HA H 1 4.091 . . 1 . . . A 22 ARG HA A 22 ARG HA . 2MW6 1 166 1 1 22 22 ARG HB2 H 1 1.977 . . . . . . A 22 ARG HB2 A 22 ARG HB2 . 2MW6 1 167 1 1 22 22 ARG HB3 H 1 1.977 . . . . . . A 22 ARG HB3 A 22 ARG HB1 . 2MW6 1 168 1 1 22 22 ARG HD2 H 1 3.188 . . . . . . A 22 ARG HD2 A 22 ARG HD2 . 2MW6 1 169 1 1 22 22 ARG HD3 H 1 3.188 . . . . . . A 22 ARG HD3 A 22 ARG HD1 . 2MW6 1 170 1 1 22 22 ARG HE H 1 7.364 . . 1 . . . A 22 ARG HE A 22 ARG HE . 2MW6 1 171 1 1 23 23 LYS H H 1 8.325 . . 1 . . . A 23 LYS H A 23 LYS HN . 2MW6 1 172 1 1 23 23 LYS HA H 1 4.15 . . 1 . . . A 23 LYS HA A 23 LYS HA . 2MW6 1 173 1 1 24 24 ARG H H 1 8.222 . . 1 . . . A 24 ARG H A 24 ARG HN . 2MW6 1 174 1 1 24 24 ARG HA H 1 4.094 . . 1 . . . A 24 ARG HA A 24 ARG HA . 2MW6 1 175 1 1 24 24 ARG HB2 H 1 1.984 . . . . . . A 24 ARG HB2 A 24 ARG HB2 . 2MW6 1 176 1 1 24 24 ARG HB3 H 1 1.984 . . . . . . A 24 ARG HB3 A 24 ARG HB1 . 2MW6 1 177 1 1 24 24 ARG HD2 H 1 3.139 . . . . . . A 24 ARG HD2 A 24 ARG HD2 . 2MW6 1 178 1 1 24 24 ARG HD3 H 1 3.139 . . . . . . A 24 ARG HD3 A 24 ARG HD1 . 2MW6 1 179 1 1 24 24 ARG HE H 1 7.536 . . 1 . . . A 24 ARG HE A 24 ARG HE . 2MW6 1 180 1 1 25 25 GLN H H 1 7.986 . . 1 . . . A 25 GLN H A 25 GLN HN . 2MW6 1 181 1 1 25 25 GLN HA H 1 4.120 . . 1 . . . A 25 GLN HA A 25 GLN HA . 2MW6 1 182 1 1 25 25 GLN HB2 H 1 2.332 . . . . . . A 25 GLN HB2 A 25 GLN HB2 . 2MW6 1 183 1 1 25 25 GLN HB3 H 1 2.301 . . . . . . A 25 GLN HB3 A 25 GLN HB1 . 2MW6 1 184 1 1 25 25 GLN HG2 H 1 2.611 . . . . . . A 25 GLN HG2 A 25 GLN HG2 . 2MW6 1 185 1 1 25 25 GLN HG3 H 1 2.168 . . . . . . A 25 GLN HG3 A 25 GLN HG1 . 2MW6 1 186 1 1 26 26 GLN H H 1 7.777 . . 1 . . . A 26 GLN H A 26 GLN H . 2MW6 1 187 1 1 26 26 GLN HA H 1 4.199 . . 1 . . . A 26 GLN HA A 26 GLN HA . 2MW6 1 188 1 1 26 26 GLN HB2 H 1 2.178 . . . . . . A 26 GLN HB2 A 26 GLN HB2 . 2MW6 1 189 1 1 26 26 GLN HB3 H 1 2.178 . . . . . . A 26 GLN HB3 A 26 GLN HB1 . 2MW6 1 190 1 1 26 26 GLN HG2 H 1 2.564 . . . . . . A 26 GLN HG2 A 26 GLN HG2 . 2MW6 1 191 1 1 26 26 GLN HG3 H 1 2.551 . . . . . . A 26 GLN HG3 A 26 GLN HG1 . 2MW6 1 192 1 1 26 26 GLN CA C 13 53.77 . . 1 . . . A 26 GLN CA A 26 GLN CA . 2MW6 1 stop_ save_ save_constraint_statistics # _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Entry_ID 2MW6 _Constraint_stat_list.ID 1 _Constraint_stat_list.Data_file_name 2mw6.mr _Constraint_stat_list.NOE_dist_averaging_method r-6 _Constraint_stat_list.NOE_tot_num 133 _Constraint_stat_list.NOE_intraresidue_tot_num 0 _Constraint_stat_list.NOE_sequential_tot_num 72 _Constraint_stat_list.NOE_medium_range_tot_num 60 _Constraint_stat_list.NOE_long_range_tot_num 0 _Constraint_stat_list.NOE_unique_tot_num 132 _Constraint_stat_list.NOE_intraresidue_unique_tot_num 0 _Constraint_stat_list.NOE_sequential_unique_tot_num 72 _Constraint_stat_list.NOE_medium_range_unique_tot_num 60 _Constraint_stat_list.NOE_long_range_unique_tot_num 0 _Constraint_stat_list.NOE_unamb_intramol_tot_num 132 _Constraint_stat_list.NOE_unamb_intermol_tot_num 0 _Constraint_stat_list.NOE_ambig_intramol_tot_num 0 _Constraint_stat_list.NOE_ambig_intermol_tot_num 0 _Constraint_stat_list.NOE_interentity_tot_num 0 _Constraint_stat_list.NOE_other_tot_num 0 # loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2mw6.mr 1 . 'X-PLOR NIH/CNS' 1 distance NOE simple 133 2MW6 1 stop_ save_ save_XPLOR-NIH/CNS_distance_restraints_1 # _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode XPLOR-NIH/CNS_distance_restraints_1 _Gen_dist_constraint_list.Entry_ID 2MW6 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Data_file_name 2mw6.mr _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Potential_type square-well-parabolic _Gen_dist_constraint_list.Block_ID 1 # loop_ _Gen_dist_constraint.Index_ID _Gen_dist_constraint.ID _Gen_dist_constraint.Combination_ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Target_val _Gen_dist_constraint.Target_val_uncertainty _Gen_dist_constraint.Lower_linear_limit _Gen_dist_constraint.Upper_linear_limit _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Weight _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . . 1 1 2 ILE H 1 1 3 GLY H . 3.3 . . . 1.5 5.0 1.0 A 2 ILE H HN A 3 GLY H HN 2MW6 1 2 2 . . . 1 1 2 ILE H 1 1 4 ALA H . 6.5 . . . 1.5 10.5 1.0 A 2 ILE H HN A 4 ALA H HN 2MW6 1 3 3 . . . 1 1 3 GLY H 1 1 4 ALA H . 3.3 . . . 1.5 5.0 1.0 A 3 GLY H HN A 4 ALA H HN 2MW6 1 4 4 . . . 1 1 3 GLY H 1 1 5 VAL H . 6.5 . . . 1.5 10.5 1.0 A 3 GLY H HN A 5 VAL H HN 2MW6 1 5 5 . . . 1 1 3 GLY H 1 1 6 LEU H . 6.5 . . . 1.5 10.5 1.0 A 3 GLY H HN A 6 LEU H HN 2MW6 1 6 6 . . . 1 1 4 ALA H 1 1 5 VAL H . 3.3 . . . 1.5 5.0 1.0 A 4 ALA H HN A 5 VAL H HN 2MW6 1 7 7 . . . 1 1 5 VAL H 1 1 6 LEU H . 3.3 . . . 1.5 5.0 1.0 A 5 VAL H HN A 6 LEU H HN 2MW6 1 8 8 . . . 1 1 5 VAL H 1 1 8 VAL H . 6.5 . . . 1.5 10.5 1.0 A 5 VAL H HN A 8 VAL H HN 2MW6 1 9 9 . . . 1 1 5 VAL H 1 1 9 LEU H . 6.5 . . . 1.5 10.5 1.0 A 5 VAL H HN A 9 LEU H HN 2MW6 1 10 10 . . . 1 1 6 LEU H 1 1 7 LYS H . 5.0 . . . 1.5 8.0 1.0 A 6 LEU H HN A 7 LYS H HN 2MW6 1 11 11 . . . 1 1 7 LYS H 1 1 8 VAL H . 3.3 . . . 1.5 5.0 1.0 A 7 LYS H HN A 8 VAL H HN 2MW6 1 12 12 . . . 1 1 8 VAL H 1 1 9 LEU H . 3.3 . . . 1.5 5.0 1.0 A 8 VAL H HN A 9 LEU H HN 2MW6 1 13 13 . . . 1 1 9 LEU H 1 1 10 THR H . 4.0 . . . 1.5 6.5 1.0 A 9 LEU H HN A 10 THR H HN 2MW6 1 14 14 . . . 1 1 9 LEU H 1 1 11 THR H . 6.5 . . . 1.5 10.5 1.0 A 9 LEU H HN A 11 THR H HN 2MW6 1 15 15 . . . 1 1 10 THR H 1 1 11 THR H . 3.3 . . . 1.5 5.0 1.0 A 10 THR H HN A 11 THR H HN 2MW6 1 16 16 . . . 1 1 11 THR H 1 1 12 GLY H . 3.3 . . . 1.5 5.0 1.0 A 11 THR H HN A 12 GLY H HN 2MW6 1 17 17 . . . 1 1 12 GLY H 1 1 13 LEU H . 4.0 . . . 1.5 6.5 1.0 A 12 GLY H HN A 13 LEU H HN 2MW6 1 18 18 . . . 1 1 13 LEU H 1 1 17 ILE H . 6.5 . . . 1.5 10.5 1.0 A 13 LEU H HN A 17 ILE H HN 2MW6 1 19 19 . . . 1 1 15 ALA H 1 1 16 LEU H . 4.0 . . . 1.5 6.5 1.0 A 15 ALA H HN A 16 LEU H HN 2MW6 1 20 20 . . . 1 1 15 ALA H 1 1 17 ILE H . 6.5 . . . 1.5 10.5 1.0 A 15 ALA H HN A 17 ILE H HN 2MW6 1 21 21 . . . 1 1 16 LEU H 1 1 17 ILE H . 4.0 . . . 1.5 6.5 1.0 A 16 LEU H HN A 17 ILE H HN 2MW6 1 22 22 . . . 1 1 17 ILE H 1 1 18 SER H . 4.0 . . . 1.5 6.5 1.0 A 17 ILE H HN A 18 SER H HN 2MW6 1 23 23 . . . 1 1 18 SER H 1 1 19 TRP H . 4.0 . . . 1.5 6.5 1.0 A 18 SER H HN A 19 TRP H HN 2MW6 1 24 24 . . . 1 1 19 TRP H 1 1 20 ILE H . 4.0 . . . 1.5 6.5 1.0 A 19 TRP H HN A 20 ILE H HN 2MW6 1 25 25 . . . 1 1 19 TRP H 1 1 21 LYS H . 6.5 . . . 1.5 10.5 1.0 A 19 TRP H HN A 21 LYS H HN 2MW6 1 26 26 . . . 1 1 20 ILE H 1 1 21 LYS H . 4.0 . . . 1.5 6.5 1.0 A 20 ILE H HN A 21 LYS H HN 2MW6 1 27 27 . . . 1 1 20 ILE H 1 1 24 ARG H . 6.5 . . . 1.5 10.5 1.0 A 20 ILE H HN A 24 ARG H HN 2MW6 1 28 28 . . . 1 1 21 LYS H 1 1 24 ARG H . 5.0 . . . 1.5 8.0 1.0 A 21 LYS H HN A 24 ARG H HN 2MW6 1 29 29 . . . 1 1 24 ARG H 1 1 25 GLN H . 5.0 . . . 1.5 8.0 1.0 A 24 ARG H HN A 25 GLN H HN 2MW6 1 30 30 . . . 1 1 24 ARG H 1 1 26 GLN H . 6.5 . . . 1.5 10.5 1.0 A 24 ARG H HN A 26 GLN H HN 2MW6 1 31 31 . . . 1 1 25 GLN H 1 1 26 GLN H . 4.0 . . . 1.5 6.5 1.0 A 25 GLN H HN A 26 GLN H HN 2MW6 1 32 32 . . . 1 1 1 GLY HA3 1 1 2 ILE H . 5.0 . . . 1.5 8.0 1.0 A 1 GLY HA3 HA1 A 2 ILE H HN 2MW6 1 33 33 . . . 1 1 1 GLY HA2 1 1 2 ILE H . 5.0 . . . 1.5 8.0 1.0 A 1 GLY HA2 HA2 A 2 ILE H HN 2MW6 1 34 34 . . . 1 1 1 GLY HA3 1 1 3 GLY H . 5.0 . . . 1.5 8.0 1.0 A 1 GLY HA3 HA1 A 3 GLY H HN 2MW6 1 35 35 . . . 1 1 1 GLY HA2 1 1 3 GLY H . 5.0 . . . 1.5 8.0 1.0 A 1 GLY HA2 HA2 A 3 GLY H HN 2MW6 1 36 36 . . . 1 1 2 ILE HA 1 1 3 GLY H . 5.0 . . . 1.5 8.0 1.0 A 2 ILE HA HA A 3 GLY H HN 2MW6 1 37 37 . . . 1 1 2 ILE HA 1 1 4 ALA H . 6.5 . . . 1.5 10.5 1.0 A 2 ILE HA HA A 4 ALA H HN 2MW6 1 38 38 . . . 1 1 2 ILE HA 1 1 5 VAL H . 4.0 . . . 1.5 6.5 1.0 A 2 ILE HA HA A 5 VAL H HN 2MW6 1 39 39 . . . 1 1 3 GLY HA3 1 1 4 ALA H . 6.5 . . . 1.5 10.5 1.0 A 3 GLY HA3 HA1 A 4 ALA H HN 2MW6 1 40 40 . . . 1 1 3 GLY HA2 1 1 4 ALA H . 6.5 . . . 1.5 10.5 1.0 A 3 GLY HA2 HA2 A 4 ALA H HN 2MW6 1 41 41 . . . 1 1 3 GLY HA2 1 1 5 VAL H . 6.5 . . . 1.5 10.5 1.0 A 3 GLY HA2 HA2 A 5 VAL H HN 2MW6 1 42 42 . . . 1 1 4 ALA HA 1 1 8 VAL H . 5.0 . . . 1.5 8.0 1.0 A 4 ALA HA HA A 8 VAL H HN 2MW6 1 43 43 . . . 1 1 5 VAL HA 1 1 8 VAL H . 5.0 . . . 1.5 8.0 1.0 A 5 VAL HA HA A 8 VAL H HN 2MW6 1 44 44 . . . 1 1 5 VAL HA 1 1 4 ALA H . 6.5 . . . 1.5 10.5 1.0 A 5 VAL HA HA A 4 ALA H HN 2MW6 1 45 45 . . . 1 1 5 VAL HA 1 1 9 LEU H . 5.0 . . . 1.5 8.0 1.0 A 5 VAL HA HA A 9 LEU H HN 2MW6 1 46 46 . . . 1 1 8 VAL HA 1 1 9 LEU H . 5.0 . . . 1.5 8.0 1.0 A 8 VAL HA HA A 9 LEU H HN 2MW6 1 47 47 . . . 1 1 8 VAL HA 1 1 10 THR H . 6.5 . . . 1.5 10.5 1.0 A 8 VAL HA HA A 10 THR H HN 2MW6 1 48 48 . . . 1 1 8 VAL HA 1 1 11 THR H . 5.0 . . . 1.5 8.0 1.0 A 8 VAL HA HA A 11 THR H HN 2MW6 1 49 49 . . . 1 1 9 LEU HA 1 1 8 VAL H . 6.5 . . . 1.5 10.5 1.0 A 9 LEU HA HA A 8 VAL H HN 2MW6 1 50 50 . . . 1 1 9 LEU HA 1 1 10 THR H . 5.0 . . . 1.5 8.0 1.0 A 9 LEU HA HA A 10 THR H HN 2MW6 1 51 51 . . . 1 1 9 LEU HA 1 1 11 THR H . 6.5 . . . 1.5 10.5 1.0 A 9 LEU HA HA A 11 THR H HN 2MW6 1 52 52 . . . 1 1 9 LEU HA 1 1 13 LEU H . 5.0 . . . 1.5 8.0 1.0 A 9 LEU HA HA A 13 LEU H HN 2MW6 1 53 53 . . . 1 1 10 THR HA 1 1 9 LEU H . 5.0 . . . 1.5 8.0 1.0 A 10 THR HA HA A 9 LEU H HN 2MW6 1 54 54 . . . 1 1 10 THR HA 1 1 11 THR H . 6.5 . . . 1.5 10.5 1.0 A 10 THR HA HA A 11 THR H HN 2MW6 1 55 55 . . . 1 1 10 THR HA 1 1 12 GLY H . 5.0 . . . 1.5 8.0 1.0 A 10 THR HA HA A 12 GLY H HN 2MW6 1 56 56 . . . 1 1 11 THR HA 1 1 9 LEU H . 5.0 . . . 1.5 8.0 1.0 A 11 THR HA HA A 9 LEU H HN 2MW6 1 57 57 . . . 1 1 11 THR HA 1 1 10 THR H . 6.5 . . . 1.5 10.5 1.0 A 11 THR HA HA A 10 THR H HN 2MW6 1 58 58 . . . 1 1 11 THR HA 1 1 12 GLY H . 3.3 . . . 1.5 5.0 1.0 A 11 THR HA HA A 12 GLY H HN 2MW6 1 59 59 . . . 1 1 11 THR HA 1 1 13 LEU H . 6.5 . . . 1.5 10.5 1.0 A 11 THR HA HA A 13 LEU H HN 2MW6 1 60 60 . . . 1 1 12 GLY HA3 1 1 9 LEU H . 6.5 . . . 1.5 10.5 1.0 A 12 GLY HA3 HA1 A 9 LEU H HN 2MW6 1 61 61 . . . 1 1 12 GLY HA3 1 1 11 THR H . 6.5 . . . 1.5 10.5 1.0 A 12 GLY HA3 HA1 A 11 THR H HN 2MW6 1 62 62 . . . 1 1 12 GLY HA3 1 1 13 LEU H . 6.5 . . . 1.5 10.5 1.0 A 12 GLY HA3 HA1 A 13 LEU H HN 2MW6 1 63 63 . . . 1 1 12 GLY HA2 1 1 11 THR H . 6.5 . . . 1.5 10.5 1.0 A 12 GLY HA2 HA2 A 11 THR H HN 2MW6 1 64 64 . . . 1 1 12 GLY HA2 1 1 13 LEU H . 6.5 . . . 1.5 10.5 1.0 A 12 GLY HA2 HA2 A 13 LEU H HN 2MW6 1 65 65 . . . 1 1 11 THR HA 1 1 10 THR H . 6.5 . . . 1.5 10.5 1.0 A 11 THR HA HA A 10 THR H HN 2MW6 1 66 66 . . . 1 1 11 THR HA 1 1 12 GLY H . 3.3 . . . 1.5 5.0 1.0 A 11 THR HA HA A 12 GLY H HN 2MW6 1 67 67 . . . 1 1 13 LEU HA 1 1 16 LEU H . 6.5 . . . 1.5 10.5 1.0 A 13 LEU HA HA A 16 LEU H HN 2MW6 1 68 68 . . . 1 1 13 LEU HA 1 1 17 ILE H . 6.5 . . . 1.5 10.5 1.0 A 13 LEU HA HA A 17 ILE H HN 2MW6 1 69 69 . . . 1 1 14 PRO HA 1 1 15 ALA H . 6.5 . . . 1.5 10.5 1.0 A 14 PRO HA HA A 15 ALA H HN 2MW6 1 70 70 . . . 1 1 14 PRO HA 1 1 17 ILE H . 6.5 . . . 1.5 10.5 1.0 A 14 PRO HA HA A 17 ILE H HN 2MW6 1 71 71 . . . 1 1 15 ALA HA 1 1 18 SER H . 6.5 . . . 1.5 10.5 1.0 A 15 ALA HA HA A 18 SER H HN 2MW6 1 72 72 . . . 1 1 16 LEU HA 1 1 15 ALA H . 6.5 . . . 1.5 10.5 1.0 A 16 LEU HA HA A 15 ALA H HN 2MW6 1 73 73 . . . 1 1 16 LEU HA 1 1 17 ILE H . 6.5 . . . 1.5 10.5 1.0 A 16 LEU HA HA A 17 ILE H HN 2MW6 1 74 74 . . . 1 1 16 LEU HA 1 1 19 TRP H . 6.5 . . . 1.5 10.5 1.0 A 16 LEU HA HA A 19 TRP H HN 2MW6 1 75 75 . . . 1 1 16 LEU HA 1 1 20 ILE H . 6.5 . . . 1.5 10.5 1.0 A 16 LEU HA HA A 20 ILE H HN 2MW6 1 76 76 . . . 1 1 17 ILE HA 1 1 20 ILE H . 6.5 . . . 1.5 10.5 1.0 A 17 ILE HA HA A 20 ILE H HN 2MW6 1 77 77 . . . 1 1 17 ILE HA 1 1 21 LYS H . 6.5 . . . 1.5 10.5 1.0 A 17 ILE HA HA A 21 LYS H HN 2MW6 1 78 78 . . . 1 1 18 SER HA 1 1 15 ALA H . 5.0 . . . 1.5 8.0 1.0 A 18 SER HA HA A 15 ALA H HN 2MW6 1 79 79 . . . 1 1 18 SER HA 1 1 17 ILE H . 6.5 . . . 1.5 10.5 1.0 A 18 SER HA HA A 17 ILE H HN 2MW6 1 80 80 . . . 1 1 18 SER HA 1 1 19 TRP H . 5.0 . . . 1.5 8.0 1.0 A 18 SER HA HA A 19 TRP H HN 2MW6 1 81 81 . . . 1 1 18 SER HA 1 1 20 ILE H . 6.5 . . . 1.5 10.5 1.0 A 18 SER HA HA A 20 ILE H HN 2MW6 1 82 82 . . . 1 1 18 SER HA 1 1 21 LYS H . 5.0 . . . 1.5 8.0 1.0 A 18 SER HA HA A 21 LYS H HN 2MW6 1 83 83 . . . 1 1 19 TRP HA 1 1 18 SER H . 6.5 . . . 1.5 10.5 1.0 A 19 TRP HA HA A 18 SER H HN 2MW6 1 84 84 . . . 1 1 19 TRP HA 1 1 20 ILE H . 6.5 . . . 1.5 10.5 1.0 A 19 TRP HA HA A 20 ILE H HN 2MW6 1 85 85 . . . 1 1 19 TRP HA 1 1 21 LYS H . 6.5 . . . 1.5 10.5 1.0 A 19 TRP HA HA A 21 LYS H HN 2MW6 1 86 86 . . . 1 1 20 ILE HA 1 1 21 LYS H . 6.5 . . . 1.5 10.5 1.0 A 20 ILE HA HA A 21 LYS H HN 2MW6 1 87 87 . . . 1 1 21 LYS HA 1 1 19 TRP H . 6.5 . . . 1.5 10.5 1.0 A 21 LYS HA HA A 19 TRP H HN 2MW6 1 88 88 . . . 1 1 21 LYS HA 1 1 20 ILE H . 6.5 . . . 1.5 10.5 1.0 A 21 LYS HA HA A 20 ILE H HN 2MW6 1 89 89 . . . 1 1 21 LYS HA 1 1 24 ARG H . 6.5 . . . 1.5 10.5 1.0 A 21 LYS HA HA A 24 ARG H HN 2MW6 1 90 90 . . . 1 1 25 GLN HA 1 1 26 GLN H . 6.5 . . . 1.5 10.5 1.0 A 25 GLN HA HA A 26 GLN H HN 2MW6 1 91 91 . . . 1 1 26 GLN HA 1 1 25 GLN H . 6.5 . . . 1.5 10.5 1.0 A 26 GLN HA HA A 25 GLN H HN 2MW6 1 92 92 . . . 1 1 2 ILE HB 1 1 3 GLY H . 6.5 . . . 1.5 10.5 1.0 A 2 ILE HB HB A 3 GLY H HN 2MW6 1 93 93 . . . 1 1 4 ALA HB1 1 1 3 GLY H . 6.5 . . . 1.5 10.5 1.0 A 4 ALA HB1 HB1 A 3 GLY H HN 2MW6 1 94 94 . . . 1 1 4 ALA HB1 1 1 5 VAL H . 6.5 . . . 1.5 10.5 1.0 A 4 ALA HB1 HB1 A 5 VAL H HN 2MW6 1 95 95 . . . 1 1 8 VAL HB 1 1 9 LEU H . 6.5 . . . 1.5 10.5 1.0 A 8 VAL HB HB A 9 LEU H HN 2MW6 1 96 96 . . . 1 1 9 LEU HB3 1 1 8 VAL H . 6.5 . . . 1.5 10.5 1.0 A 9 LEU HB3 HB1 A 8 VAL H HN 2MW6 1 97 97 . . . 1 1 9 LEU HB2 1 1 13 LEU H . 6.5 . . . 1.5 10.5 1.0 A 9 LEU HB2 HB2 A 13 LEU H HN 2MW6 1 98 98 . . . 1 1 10 THR HB 1 1 9 LEU H . 6.5 . . . 1.5 10.5 1.0 A 10 THR HB HB A 9 LEU H HN 2MW6 1 99 99 . . . 1 1 10 THR HB 1 1 11 THR H . 6.5 . . . 1.5 10.5 1.0 A 10 THR HB HB A 11 THR H HN 2MW6 1 100 100 . . . 1 1 11 THR HB 1 1 9 LEU H . 5.0 . . . 1.5 8.0 1.0 A 11 THR HB HB A 9 LEU H HN 2MW6 1 101 101 . . . 1 1 11 THR HB 1 1 10 THR H . 6.5 . . . 1.5 10.5 1.0 A 11 THR HB HB A 10 THR H HN 2MW6 1 102 102 . . . 1 1 11 THR HB 1 1 12 GLY H . 5.0 . . . 1.5 8.0 1.0 A 11 THR HB HB A 12 GLY H HN 2MW6 1 103 103 . . . 1 1 11 THR HB 1 1 13 LEU H . 6.5 . . . 1.5 10.5 1.0 A 11 THR HB HB A 13 LEU H HN 2MW6 1 104 104 . . . 1 1 13 LEU HB3 1 1 10 THR H . 6.5 . . . 1.5 10.5 1.0 A 13 LEU HB3 HB1 A 10 THR H HN 2MW6 1 105 105 . . . 1 1 13 LEU HB2 1 1 10 THR H . 5.0 . . . 1.5 8.0 1.0 A 13 LEU HB2 HB2 A 10 THR H HN 2MW6 1 106 106 . . . 1 1 14 PRO HB3 1 1 13 LEU H . 6.5 . . . 1.5 10.5 1.0 A 14 PRO HB3 HB1 A 13 LEU H HN 2MW6 1 107 107 . . . 1 1 14 PRO HB2 1 1 13 LEU H . 6.5 . . . 1.5 10.5 1.0 A 14 PRO HB2 HB2 A 13 LEU H HN 2MW6 1 108 108 . . . 1 1 14 PRO HB2 1 1 15 ALA H . 6.5 . . . 1.5 10.5 1.0 A 14 PRO HB2 HB2 A 15 ALA H HN 2MW6 1 109 109 . . . 1 1 15 ALA HB1 1 1 16 LEU H . 6.5 . . . 1.5 10.5 1.0 A 15 ALA HB1 HB1 A 16 LEU H HN 2MW6 1 110 110 . . . 1 1 16 LEU HB2 1 1 17 ILE H . 6.5 . . . 1.5 10.5 1.0 A 16 LEU HB2 HB2 A 17 ILE H HN 2MW6 1 111 111 . . . 1 1 18 SER HB3 1 1 19 TRP H . 6.5 . . . 1.5 10.5 1.0 A 18 SER HB3 HB1 A 19 TRP H HN 2MW6 1 112 112 . . . 1 1 19 TRP HB3 1 1 20 ILE H . 6.5 . . . 1.5 10.5 1.0 A 19 TRP HB3 HB1 A 20 ILE H HN 2MW6 1 113 113 . . . 1 1 19 TRP HB2 1 1 20 ILE H . 6.5 . . . 1.5 10.5 1.0 A 19 TRP HB2 HB2 A 20 ILE H HN 2MW6 1 114 114 . . . 1 1 20 ILE HB 1 1 21 LYS H . 6.5 . . . 1.5 10.5 1.0 A 20 ILE HB HB A 21 LYS H HN 2MW6 1 115 115 . . . 1 1 25 GLN HB3 1 1 26 GLN H . 6.5 . . . 1.5 10.5 1.0 A 25 GLN HB3 HB1 A 26 GLN H HN 2MW6 1 116 116 . . . 1 1 25 GLN HB2 1 1 26 GLN H . 6.5 . . . 1.5 10.5 1.0 A 25 GLN HB2 HB2 A 26 GLN H HN 2MW6 1 117 117 . . . 1 1 26 GLN HB3 1 1 25 GLN H . 6.5 . . . 1.5 10.5 1.0 A 26 GLN HB3 HB1 A 25 GLN H HN 2MW6 1 118 118 . . . 1 1 4 ALA HB2 1 1 1 GLY HA3 . 6.5 . . . 1.5 10.5 1.0 A 4 ALA HB2 HB2 A 1 GLY HA3 HA1 2MW6 1 119 119 . . . 1 1 4 ALA HB2 1 1 1 GLY HA2 . 6.5 . . . 1.5 10.5 1.0 A 4 ALA HB2 HB2 A 1 GLY HA2 HA2 2MW6 1 120 120 . . . 1 1 2 ILE HB 1 1 5 VAL HA . 6.5 . . . 1.5 10.5 1.0 A 2 ILE HB HB A 5 VAL HA HA 2MW6 1 121 121 . . OR 1 1 4 ALA HB1 1 1 5 VAL HA . 6.5 . . . 1.5 10.5 1.0 A 4 ALA HB1 HB A 5 VAL HA HA 2MW6 1 122 121 . . OR 1 1 4 ALA HB2 1 1 5 VAL HA . 6.5 . . . 1.5 10.5 1.0 A 4 ALA HB2 HB A 5 VAL HA HA 2MW6 1 123 121 . . OR 1 1 4 ALA HB3 1 1 5 VAL HA . 6.5 . . . 1.5 10.5 1.0 A 4 ALA HB3 HB A 5 VAL HA HA 2MW6 1 124 122 . . . 1 1 5 VAL HB 1 1 2 ILE HA . 4.0 . . . 1.5 6.5 1.0 A 5 VAL HB HB A 2 ILE HA HA 2MW6 1 125 123 . . . 1 1 9 LEU HB2 1 1 6 LEU HA . 5.0 . . . 1.5 8.0 1.0 A 9 LEU HB2 HB2 A 6 LEU HA HA 2MW6 1 126 124 . . . 1 1 11 THR HB 1 1 8 VAL HA . 6.5 . . . 1.5 10.5 1.0 A 11 THR HB HB A 8 VAL HA HA 2MW6 1 127 125 . . . 1 1 11 THR HB 1 1 12 GLY HA3 . 6.5 . . . 1.5 10.5 1.0 A 11 THR HB HB A 12 GLY HA3 HA1 2MW6 1 128 126 . . . 1 1 15 ALA HB2 1 1 12 GLY HA3 . 6.5 . . . 1.5 10.5 1.0 A 15 ALA HB2 HB2 A 12 GLY HA3 HA1 2MW6 1 129 127 . . . 1 1 16 LEU HB3 1 1 14 PRO HA . 6.5 . . . 1.5 10.5 1.0 A 16 LEU HB3 HB1 A 14 PRO HA HA 2MW6 1 130 128 . . . 1 1 16 LEU HB3 1 1 17 ILE HA . 6.5 . . . 1.5 10.5 1.0 A 16 LEU HB3 HB1 A 17 ILE HA HA 2MW6 1 131 129 . . . 1 1 18 SER HB2 1 1 15 ALA HA . 6.5 . . . 1.5 10.5 1.0 A 18 SER HB2 HB2 A 15 ALA HA HA 2MW6 1 132 130 . . . 1 1 19 TRP HB3 1 1 16 LEU HA . 6.5 . . . 1.5 10.5 1.0 A 19 TRP HB3 HB1 A 16 LEU HA HA 2MW6 1 133 131 . . . 1 1 19 TRP HB3 1 1 16 LEU HA . 6.5 . . . 1.5 10.5 1.0 A 19 TRP HB3 HB1 A 16 LEU HA HA 2MW6 1 134 132 . . . 1 1 20 ILE HB 1 1 17 ILE HA . 6.5 . . . 1.5 10.5 1.0 A 20 ILE HB HB A 17 ILE HA HA 2MW6 1 135 133 . . . 1 1 24 ARG HB3 1 1 21 LYS HA . 6.5 . . . 1.5 10.5 1.0 A 24 ARG HB3 HB1 A 21 LYS HA HA 2MW6 1 stop_ save_