data_30738 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30738 _Entry.Title ; Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-24 _Entry.Accession_date 2020-03-24 _Entry.Last_release_date 2020-04-07 _Entry.Original_release_date 2020-04-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30738 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Brown J. B. . . 30738 2 H. Summers H. R. . . 30738 3 L. Brown L. A. . . 30738 4 J. Marchant J. . . . 30738 5 P. Canova P. N. . . 30738 6 C. O'Hern C. T. . . 30738 7 S. Abbott S. . . . 30738 8 C. Nyaunu C. . . . 30738 9 S. Maxwell S. . . . 30738 10 T. Johnson T. . . . 30738 11 M. Moser M. . . . 30738 12 S. Ablan S. D. . . 30738 13 H. Carter H. . . . 30738 14 E. Freed E. O. . . 30738 15 M. Summers M. F. . . 30738 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FIV . 30738 'VIRAL PROTEIN' . 30738 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30738 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 30738 '15N chemical shifts' 114 30738 '1H chemical shifts' 602 30738 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-07-20 . original BMRB . 30738 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6WA3 . 30738 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30738 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Brown J. B. . . 30738 1 2 H. Summers H. R. . . 30738 1 3 L. Brown L. A. . . 30738 1 4 J. Marchant J. . . . 30738 1 5 P. Canova P. N. . . 30738 1 6 C. O'Hern C. T. . . 30738 1 7 S. Abbott S. . . . 30738 1 8 C. Nyaunu C. . . . 30738 1 9 S. Maxwell S. . . . 30738 1 10 T. Johnson T. . . . 30738 1 11 M. Moser M. . . . 30738 1 12 S. Ablan S. D. . . 30738 1 13 H. Carter H. . . . 30738 1 14 E. Freed E. O. . . 30738 1 15 M. Summers M. F. . . 30738 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30738 _Assembly.ID 1 _Assembly.Name 'Matrix protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 . . . . . . 30738 1 2 entity_2 2 $entity_MYR B A no . . . . . . 30738 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30738 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XGNGQGRDWKMAIKRCSNVA VGVGGKSKKFGEGNFRWAIR MANVSTGREPGDIPETLDQL RLVICDLQERREKFGSSKEI DMAIVTLKVFAVAGLLNMTV STAAAAENMYSQMGLDTRPH HHHHH ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13922.065 _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 MA common 30738 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 . MYR . 30738 1 2 . GLY . 30738 1 3 . ASN . 30738 1 4 . GLY . 30738 1 5 . GLN . 30738 1 6 . GLY . 30738 1 7 . ARG . 30738 1 8 . ASP . 30738 1 9 . TRP . 30738 1 10 . LYS . 30738 1 11 . MET . 30738 1 12 . ALA . 30738 1 13 . ILE . 30738 1 14 . LYS . 30738 1 15 . ARG . 30738 1 16 . CYS . 30738 1 17 . SER . 30738 1 18 . ASN . 30738 1 19 . VAL . 30738 1 20 . ALA . 30738 1 21 . VAL . 30738 1 22 . GLY . 30738 1 23 . VAL . 30738 1 24 . GLY . 30738 1 25 . GLY . 30738 1 26 . LYS . 30738 1 27 . SER . 30738 1 28 . LYS . 30738 1 29 . LYS . 30738 1 30 . PHE . 30738 1 31 . GLY . 30738 1 32 . GLU . 30738 1 33 . GLY . 30738 1 34 . ASN . 30738 1 35 . PHE . 30738 1 36 . ARG . 30738 1 37 . TRP . 30738 1 38 . ALA . 30738 1 39 . ILE . 30738 1 40 . ARG . 30738 1 41 . MET . 30738 1 42 . ALA . 30738 1 43 . ASN . 30738 1 44 . VAL . 30738 1 45 . SER . 30738 1 46 . THR . 30738 1 47 . GLY . 30738 1 48 . ARG . 30738 1 49 . GLU . 30738 1 50 . PRO . 30738 1 51 . GLY . 30738 1 52 . ASP . 30738 1 53 . ILE . 30738 1 54 . PRO . 30738 1 55 . GLU . 30738 1 56 . THR . 30738 1 57 . LEU . 30738 1 58 . ASP . 30738 1 59 . GLN . 30738 1 60 . LEU . 30738 1 61 . ARG . 30738 1 62 . LEU . 30738 1 63 . VAL . 30738 1 64 . ILE . 30738 1 65 . CYS . 30738 1 66 . ASP . 30738 1 67 . LEU . 30738 1 68 . GLN . 30738 1 69 . GLU . 30738 1 70 . ARG . 30738 1 71 . ARG . 30738 1 72 . GLU . 30738 1 73 . LYS . 30738 1 74 . PHE . 30738 1 75 . GLY . 30738 1 76 . SER . 30738 1 77 . SER . 30738 1 78 . LYS . 30738 1 79 . GLU . 30738 1 80 . ILE . 30738 1 81 . ASP . 30738 1 82 . MET . 30738 1 83 . ALA . 30738 1 84 . ILE . 30738 1 85 . VAL . 30738 1 86 . THR . 30738 1 87 . LEU . 30738 1 88 . LYS . 30738 1 89 . VAL . 30738 1 90 . PHE . 30738 1 91 . ALA . 30738 1 92 . VAL . 30738 1 93 . ALA . 30738 1 94 . GLY . 30738 1 95 . LEU . 30738 1 96 . LEU . 30738 1 97 . ASN . 30738 1 98 . MET . 30738 1 99 . THR . 30738 1 100 . VAL . 30738 1 101 . SER . 30738 1 102 . THR . 30738 1 103 . ALA . 30738 1 104 . ALA . 30738 1 105 . ALA . 30738 1 106 . ALA . 30738 1 107 . GLU . 30738 1 108 . ASN . 30738 1 109 . MET . 30738 1 110 . TYR . 30738 1 111 . SER . 30738 1 112 . GLN . 30738 1 113 . MET . 30738 1 114 . GLY . 30738 1 115 . LEU . 30738 1 116 . ASP . 30738 1 117 . THR . 30738 1 118 . ARG . 30738 1 119 . PRO . 30738 1 120 . HIS . 30738 1 121 . HIS . 30738 1 122 . HIS . 30738 1 123 . HIS . 30738 1 124 . HIS . 30738 1 125 . HIS . 30738 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 . MYR 1 1 30738 1 . GLY 2 2 30738 1 . ASN 3 3 30738 1 . GLY 4 4 30738 1 . GLN 5 5 30738 1 . GLY 6 6 30738 1 . ARG 7 7 30738 1 . ASP 8 8 30738 1 . TRP 9 9 30738 1 . LYS 10 10 30738 1 . MET 11 11 30738 1 . ALA 12 12 30738 1 . ILE 13 13 30738 1 . LYS 14 14 30738 1 . ARG 15 15 30738 1 . CYS 16 16 30738 1 . SER 17 17 30738 1 . ASN 18 18 30738 1 . VAL 19 19 30738 1 . ALA 20 20 30738 1 . VAL 21 21 30738 1 . GLY 22 22 30738 1 . VAL 23 23 30738 1 . GLY 24 24 30738 1 . GLY 25 25 30738 1 . LYS 26 26 30738 1 . SER 27 27 30738 1 . LYS 28 28 30738 1 . LYS 29 29 30738 1 . PHE 30 30 30738 1 . GLY 31 31 30738 1 . GLU 32 32 30738 1 . GLY 33 33 30738 1 . ASN 34 34 30738 1 . PHE 35 35 30738 1 . ARG 36 36 30738 1 . TRP 37 37 30738 1 . ALA 38 38 30738 1 . ILE 39 39 30738 1 . ARG 40 40 30738 1 . MET 41 41 30738 1 . ALA 42 42 30738 1 . ASN 43 43 30738 1 . VAL 44 44 30738 1 . SER 45 45 30738 1 . THR 46 46 30738 1 . GLY 47 47 30738 1 . ARG 48 48 30738 1 . GLU 49 49 30738 1 . PRO 50 50 30738 1 . GLY 51 51 30738 1 . ASP 52 52 30738 1 . ILE 53 53 30738 1 . PRO 54 54 30738 1 . GLU 55 55 30738 1 . THR 56 56 30738 1 . LEU 57 57 30738 1 . ASP 58 58 30738 1 . GLN 59 59 30738 1 . LEU 60 60 30738 1 . ARG 61 61 30738 1 . LEU 62 62 30738 1 . VAL 63 63 30738 1 . ILE 64 64 30738 1 . CYS 65 65 30738 1 . ASP 66 66 30738 1 . LEU 67 67 30738 1 . GLN 68 68 30738 1 . GLU 69 69 30738 1 . ARG 70 70 30738 1 . ARG 71 71 30738 1 . GLU 72 72 30738 1 . LYS 73 73 30738 1 . PHE 74 74 30738 1 . GLY 75 75 30738 1 . SER 76 76 30738 1 . SER 77 77 30738 1 . LYS 78 78 30738 1 . GLU 79 79 30738 1 . ILE 80 80 30738 1 . ASP 81 81 30738 1 . MET 82 82 30738 1 . ALA 83 83 30738 1 . ILE 84 84 30738 1 . VAL 85 85 30738 1 . THR 86 86 30738 1 . LEU 87 87 30738 1 . LYS 88 88 30738 1 . VAL 89 89 30738 1 . PHE 90 90 30738 1 . ALA 91 91 30738 1 . VAL 92 92 30738 1 . ALA 93 93 30738 1 . GLY 94 94 30738 1 . LEU 95 95 30738 1 . LEU 96 96 30738 1 . ASN 97 97 30738 1 . MET 98 98 30738 1 . THR 99 99 30738 1 . VAL 100 100 30738 1 . SER 101 101 30738 1 . THR 102 102 30738 1 . ALA 103 103 30738 1 . ALA 104 104 30738 1 . ALA 105 105 30738 1 . ALA 106 106 30738 1 . GLU 107 107 30738 1 . ASN 108 108 30738 1 . MET 109 109 30738 1 . TYR 110 110 30738 1 . SER 111 111 30738 1 . GLN 112 112 30738 1 . MET 113 113 30738 1 . GLY 114 114 30738 1 . LEU 115 115 30738 1 . ASP 116 116 30738 1 . THR 117 117 30738 1 . ARG 118 118 30738 1 . PRO 119 119 30738 1 . HIS 120 120 30738 1 . HIS 121 121 30738 1 . HIS 122 122 30738 1 . HIS 123 123 30738 1 . HIS 124 124 30738 1 . HIS 125 125 30738 1 stop_ save_ save_entity_MYR _Entity.Sf_category entity _Entity.Sf_framecode entity_MYR _Entity.Entry_ID 30738 _Entity.ID 2 _Entity.BMRB_code MYR _Entity.Name entity_MYR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _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 MYR _Entity.Nonpolymer_comp_label $chem_comp_MYR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 228.371 _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 'MYRISTIC ACID' BMRB 30738 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MYRISTIC ACID' BMRB 30738 2 MYR 'Three letter code' 30738 2 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 MYR $chem_comp_MYR 30738 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30738 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11673 organism . 'Feline immunodeficiency virus' FIV . . Viruses . Lentivirus FIV . . . . . . . . . . . GAG . 30738 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30738 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30738 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 30738 _Chem_comp.ID MYR _Chem_comp.Provenance PDB _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MYR _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-04-24 _Chem_comp.Modified_date 2014-04-24 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 16 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 30738 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 30738 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.385 30738 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.385 30738 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 30738 MYR O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 12.01 30738 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 30738 MYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 30738 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 30738 MYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 6.748 . -0.653 . 3.744 . 6.963 -0.121 0.001 1 . 30738 MYR O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 6.160 . -1.704 . 3.756 . 6.889 -1.327 0.001 2 . 30738 MYR O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 6.245 . 0.389 . 4.316 . 8.165 0.477 -0.004 3 . 30738 MYR C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 8.095 . -0.440 . 3.061 . 5.707 0.712 0.002 4 . 30738 MYR C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 9.236 . -1.264 . 3.627 . 4.485 -0.209 0.001 5 . 30738 MYR C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 9.578 . -0.958 . 5.081 . 3.210 0.637 0.001 6 . 30738 MYR C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 10.773 . -1.735 . 5.635 . 1.988 -0.284 0.001 7 . 30738 MYR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 11.280 . -1.093 . 6.928 . 0.712 0.561 0.001 8 . 30738 MYR C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 12.782 . -1.170 . 7.157 . -0.510 -0.359 0.000 9 . 30738 MYR C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 13.305 . 0.171 . 7.667 . -1.785 0.486 0.001 10 . 30738 MYR C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 14.245 . 0.011 . 8.840 . -3.007 -0.435 -0.000 11 . 30738 MYR C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 14.363 . 1.259 . 9.699 . -4.282 0.410 0.000 12 . 30738 MYR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 15.566 . 2.088 . 9.297 . -5.504 -0.510 -0.001 13 . 30738 MYR C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 15.613 . 3.507 . 9.835 . -6.780 0.335 -0.000 14 . 30738 MYR C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 16.815 . 4.232 . 9.253 . -8.002 -0.586 -0.001 15 . 30738 MYR C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.118 . 5.584 . 9.876 . -9.277 0.260 -0.001 16 . 30738 MYR HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no yes . . . . 5.406 . 0.165 . 4.702 . 8.942 -0.098 -0.008 17 . 30738 MYR H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 7.983 . -0.697 . 1.997 . 5.688 1.340 0.892 18 . 30738 MYR H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 8.362 . 0.623 . 3.155 . 5.688 1.341 -0.888 19 . 30738 MYR H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . 8.961 . -2.327 . 3.555 . 4.504 -0.837 -0.890 20 . 30738 MYR H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . 10.131 . -1.075 . 3.017 . 4.504 -0.838 0.891 21 . 30738 MYR H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 9.801 . 0.116 . 5.162 . 3.191 1.265 0.891 22 . 30738 MYR H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 8.699 . -1.197 . 5.697 . 3.191 1.266 -0.888 23 . 30738 MYR H51 H51 H51 H51 . H . . N 0 . . . 1 no no . . . . 10.466 . -2.771 . 5.842 . 2.007 -0.913 -0.890 24 . 30738 MYR H52 H52 H52 H52 . H . . N 0 . . . 1 no no . . . . 11.582 . -1.734 . 4.890 . 2.007 -0.914 0.890 25 . 30738 MYR H61 H61 H61 H61 . H . . N 0 . . . 1 no no . . . . 10.994 . -0.031 . 6.913 . 0.693 1.190 0.891 26 . 30738 MYR H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 10.783 . -1.594 . 7.772 . 0.693 1.191 -0.889 27 . 30738 MYR H71 H71 H71 H71 . H . . N 0 . . . 1 no no . . . . 12.997 . -1.951 . 7.901 . -0.491 -0.988 -0.890 28 . 30738 MYR H72 H72 H72 H72 . H . . N 0 . . . 1 no no . . . . 13.282 . -1.419 . 6.209 . -0.491 -0.989 0.890 29 . 30738 MYR H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 13.842 . 0.675 . 6.850 . -1.804 1.114 0.891 30 . 30738 MYR H82 H82 H82 H82 . H . . N 0 . . . 1 no no . . . . 12.450 . 0.788 . 7.980 . -1.804 1.115 -0.889 31 . 30738 MYR H91 H91 H91 H91 . H . . N 0 . . . 1 no no . . . . 13.877 . -0.812 . 9.471 . -2.988 -1.063 -0.891 32 . 30738 MYR H92 H92 H92 H92 . H . . N 0 . . . 1 no no . . . . 15.244 . -0.241 . 8.454 . -2.988 -1.064 0.890 33 . 30738 MYR H101 H101 H101 H101 . H . . N 0 . . . 0 no no . . . . 13.453 . 1.865 . 9.579 . -4.301 1.039 0.891 34 . 30738 MYR H102 H102 H102 H102 . H . . N 0 . . . 0 no no . . . . 14.468 . 0.961 . 10.753 . -4.301 1.040 -0.890 35 . 30738 MYR H111 H111 H111 H111 . H . . N 0 . . . 0 no no . . . . 16.467 . 1.565 . 9.650 . -5.485 -1.139 -0.891 36 . 30738 MYR H112 H112 H112 H112 . H . . N 0 . . . 0 no no . . . . 15.582 . 2.145 . 8.199 . -5.485 -1.140 0.889 37 . 30738 MYR H121 H121 H121 H121 . H . . N 0 . . . 0 no no . . . . 14.692 . 4.037 . 9.550 . -6.799 0.964 0.890 38 . 30738 MYR H122 H122 H122 H122 . H . . N 0 . . . 0 no no . . . . 15.697 . 3.480 . 10.931 . -6.799 0.965 -0.890 39 . 30738 MYR H131 H131 H131 H131 . H . . N 0 . . . 0 no no . . . . 17.698 . 3.590 . 9.387 . -7.983 -1.214 -0.891 40 . 30738 MYR H132 H132 H132 H132 . H . . N 0 . . . 0 no no . . . . 16.633 . 4.385 . 8.179 . -7.983 -1.215 0.889 41 . 30738 MYR H141 H141 H141 H141 . H . . N 0 . . . 0 no no . . . . 18.000 . 6.024 . 9.388 . -9.296 0.889 -0.890 42 . 30738 MYR H142 H142 H142 H142 . H . . N 0 . . . 0 no no . . . . 16.254 . 6.251 . 9.742 . -10.148 -0.396 -0.001 43 . 30738 MYR H143 H143 H143 H143 . H . . N 0 . . . 0 no no . . . . 17.319 . 5.456 . 10.950 . -9.296 0.888 0.890 44 . 30738 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 30738 MYR 2 . SING C1 O2 no N 2 . 30738 MYR 3 . SING C1 C2 no N 3 . 30738 MYR 4 . SING O2 HO2 no N 4 . 30738 MYR 5 . SING C2 C3 no N 5 . 30738 MYR 6 . SING C2 H21 no N 6 . 30738 MYR 7 . SING C2 H22 no N 7 . 30738 MYR 8 . SING C3 C4 no N 8 . 30738 MYR 9 . SING C3 H31 no N 9 . 30738 MYR 10 . SING C3 H32 no N 10 . 30738 MYR 11 . SING C4 C5 no N 11 . 30738 MYR 12 . SING C4 H41 no N 12 . 30738 MYR 13 . SING C4 H42 no N 13 . 30738 MYR 14 . SING C5 C6 no N 14 . 30738 MYR 15 . SING C5 H51 no N 15 . 30738 MYR 16 . SING C5 H52 no N 16 . 30738 MYR 17 . SING C6 C7 no N 17 . 30738 MYR 18 . SING C6 H61 no N 18 . 30738 MYR 19 . SING C6 H62 no N 19 . 30738 MYR 20 . SING C7 C8 no N 20 . 30738 MYR 21 . SING C7 H71 no N 21 . 30738 MYR 22 . SING C7 H72 no N 22 . 30738 MYR 23 . SING C8 C9 no N 23 . 30738 MYR 24 . SING C8 H81 no N 24 . 30738 MYR 25 . SING C8 H82 no N 25 . 30738 MYR 26 . SING C9 C10 no N 26 . 30738 MYR 27 . SING C9 H91 no N 27 . 30738 MYR 28 . SING C9 H92 no N 28 . 30738 MYR 29 . SING C10 C11 no N 29 . 30738 MYR 30 . SING C10 H101 no N 30 . 30738 MYR 31 . SING C10 H102 no N 31 . 30738 MYR 32 . SING C11 C12 no N 32 . 30738 MYR 33 . SING C11 H111 no N 33 . 30738 MYR 34 . SING C11 H112 no N 34 . 30738 MYR 35 . SING C12 C13 no N 35 . 30738 MYR 36 . SING C12 H121 no N 36 . 30738 MYR 37 . SING C12 H122 no N 37 . 30738 MYR 38 . SING C13 C14 no N 38 . 30738 MYR 39 . SING C13 H131 no N 39 . 30738 MYR 40 . SING C13 H132 no N 40 . 30738 MYR 41 . SING C14 H141 no N 41 . 30738 MYR 42 . SING C14 H142 no N 42 . 30738 MYR 43 . SING C14 H143 no N 43 . 30738 MYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30738 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-15N] Feline Immunodeficiency Virus Myristoylated Matrix Protein, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30738 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30738 1 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30738 1 4 glucose 'natural abundance' . . . . . . 4 . . g/L . . . . 30738 1 5 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 30738 1 6 'Feline Immunodeficiency Virus Myristoylated Matrix Protein' [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 30738 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30738 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 300 uM [U-13C] Feline Immunodeficiency Virus Myristoylated Matrix Protein, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30738 2 2 DTT '[U-98% 2H]' . . . . . . 10 . . mM . . . . 30738 2 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30738 2 4 glucose '[U-99% 13C]' . . . . . . 4 . . g/L . . . . 30738 2 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 30738 2 6 'Feline Immunodeficiency Virus Myristoylated Matrix Protein' [U-13C] . . 1 $entity_1 . . 300 . . uM . . . . 30738 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30738 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L ammonium chloride, 50 mg/L Myristoyl coenzyme A, 300 uM [U-13C] Feline Immunodeficiency Virus Myristoylated Matrix Protein, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30738 3 2 DTT '[U-98% 2H]' . . . . . . 10 . . mM . . . . 30738 3 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30738 3 4 glucose '[U-99% 13C]' . . . . . . 4 . . g/L . . . . 30738 3 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 30738 3 6 'Feline Immunodeficiency Virus Myristoylated Matrix Protein' [U-13C] . . 1 $entity_1 . . 300 . . uM . . . . 30738 3 7 'Myristoyl coenzyme A' 'natural abundance' . . . . . . 50 . . mg/L . . . . 30738 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30738 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM DTT, 5 mM sodium chloride, 4 g/L [U-99% 13C] glucose, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-13C; U-15N] Feline Immunodeficiency Virus Myristoylated Matrix Protein, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30738 4 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 30738 4 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30738 4 4 glucose '[U-99% 13C]' . . . . . . 4 . . g/L . . . . 30738 4 5 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 30738 4 6 'Feline Immunodeficiency Virus Myristoylated Matrix Protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30738 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30738 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 10 mM [U-98% 2H] DTT, 5 mM sodium chloride, 4 g/L glucose, 1 g/L ammonium chloride, 300 uM Feline Immunodeficiency Virus Myristoylated Matrix Protein, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30738 5 2 DTT '[U-98% 2H]' . . . . . . 10 . . mM . . . . 30738 5 3 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30738 5 4 glucose 'natural abundance' . . . . . . 4 . . g/L . . . . 30738 5 5 'ammonium chloride' 'natural abundance' . . . . . . 1 . . g/L . . . . 30738 5 6 'Feline Immunodeficiency Virus Myristoylated Matrix Protein' 'natural abundance' . . 1 $entity_1 . . 300 . . uM . . . . 30738 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30738 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 30738 1 pH 8 . pH 30738 1 pressure 1 . atm 30738 1 temperature 298 . K 30738 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30738 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 30738 2 pH 8 . pD 30738 2 pressure 1 . atm 30738 2 temperature 298 . K 30738 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30738 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30738 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30738 1 . 'data analysis' 30738 1 . 'peak picking' 30738 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30738 _Software.ID 2 _Software.Type . _Software.Name NMRFx _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30738 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30738 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30738 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30738 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30738 3 . 'structure calculation' 30738 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30738 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30738 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30738 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30738 _Software.ID 5 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30738 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30738 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30738 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30738 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30738 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30738 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30738 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 600 . . . 30738 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30738 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 4 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 5 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 6 '3D HN(CA)CO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 8 '2D 1H-13C HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 9 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 10 '4D HMQC-NOESY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 11 '4D HSQC-NOESY-HMQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30738 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30738 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . 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.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbon' . . . . ppm 0.000 external indirect 1.0 . . . . . 30738 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 30738 1 N 15 urea nitrogen . . . . ppm 0.000 external indirect 1.0 . . . . . 30738 1 stop_ save_ ################################### # 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 30738 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 NOESY' . . . 30738 1 2 '2D 1H-15N HSQC' . . . 30738 1 3 '3D CBCA(CO)NH' . . . 30738 1 4 '3D HNCACB' . . . 30738 1 5 '3D HNCO' . . . 30738 1 6 '3D HN(CA)CO' . . . 30738 1 7 '3D 1H-15N NOESY' . . . 30738 1 8 '2D 1H-13C HMQC' . . . 30738 1 9 '2D 1H-13C HMQC' . . . 30738 1 10 '4D HMQC-NOESY-HMQC' . . . 30738 1 11 '4D HSQC-NOESY-HMQC' . . . 30738 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 2 2 GLY H H 1 8.0901 0.0000 . 1 . . . . A 2 GLY H . 30738 1 2 . 1 . 1 2 2 GLY HA2 H 1 3.9236 0.0000 . 2 . . . . A 2 GLY HA2 . 30738 1 3 . 1 . 1 2 2 GLY C C 13 167.8243 0.0000 . 1 . . . . A 2 GLY C . 30738 1 4 . 1 . 1 2 2 GLY CA C 13 45.7657 0.0000 . 1 . . . . A 2 GLY CA . 30738 1 5 . 1 . 1 2 2 GLY N N 15 112.7472 0.0000 . 1 . . . . A 2 GLY N . 30738 1 6 . 1 . 1 3 3 ASN H H 1 8.0693 0.0000 . 1 . . . . A 3 ASN H . 30738 1 7 . 1 . 1 3 3 ASN HA H 1 4.6230 0.0000 . 1 . . . . A 3 ASN HA . 30738 1 8 . 1 . 1 3 3 ASN HB2 H 1 2.7935 0.0000 . 2 . . . . A 3 ASN HB2 . 30738 1 9 . 1 . 1 3 3 ASN C C 13 179.0533 0.0000 . 1 . . . . A 3 ASN C . 30738 1 10 . 1 . 1 3 3 ASN CA C 13 55.3636 0.0000 . 1 . . . . A 3 ASN CA . 30738 1 11 . 1 . 1 3 3 ASN CB C 13 41.6497 0.0000 . 1 . . . . A 3 ASN CB . 30738 1 12 . 1 . 1 3 3 ASN N N 15 123.6238 0.0000 . 1 . . . . A 3 ASN N . 30738 1 13 . 1 . 1 4 4 GLY C C 13 174.4905 0.0000 . 1 . . . . A 4 GLY C . 30738 1 14 . 1 . 1 5 5 GLN H H 1 8.2857 0.0000 . 1 . . . . A 5 GLN H . 30738 1 15 . 1 . 1 5 5 GLN HA H 1 3.9728 0.0000 . 1 . . . . A 5 GLN HA . 30738 1 16 . 1 . 1 5 5 GLN HB2 H 1 2.2426 0.0000 . 2 . . . . A 5 GLN HB2 . 30738 1 17 . 1 . 1 5 5 GLN HG2 H 1 2.0046 0.0000 . 2 . . . . A 5 GLN HG2 . 30738 1 18 . 1 . 1 5 5 GLN HE21 H 1 7.5488 0.0000 . 2 . . . . A 5 GLN HE21 . 30738 1 19 . 1 . 1 5 5 GLN HE22 H 1 6.8904 0.0000 . 2 . . . . A 5 GLN HE22 . 30738 1 20 . 1 . 1 5 5 GLN C C 13 177.1547 0.0000 . 1 . . . . A 5 GLN C . 30738 1 21 . 1 . 1 5 5 GLN CA C 13 61.3074 0.0000 . 1 . . . . A 5 GLN CA . 30738 1 22 . 1 . 1 5 5 GLN CB C 13 32.4673 0.0000 . 1 . . . . A 5 GLN CB . 30738 1 23 . 1 . 1 5 5 GLN CG C 13 34.4413 0.0000 . 1 . . . . A 5 GLN CG . 30738 1 24 . 1 . 1 5 5 GLN N N 15 119.4843 0.0000 . 1 . . . . A 5 GLN N . 30738 1 25 . 1 . 1 5 5 GLN NE2 N 15 112.3735 0.0000 . 1 . . . . A 5 GLN NE2 . 30738 1 26 . 1 . 1 6 6 GLY CA C 13 45.8930 0.0000 . 1 . . . . A 6 GLY CA . 30738 1 27 . 1 . 1 7 7 ARG H H 1 8.4645 0.0000 . 1 . . . . A 7 ARG H . 30738 1 28 . 1 . 1 7 7 ARG HA H 1 4.1222 0.0000 . 1 . . . . A 7 ARG HA . 30738 1 29 . 1 . 1 7 7 ARG HB2 H 1 2.2090 0.0000 . 2 . . . . A 7 ARG HB2 . 30738 1 30 . 1 . 1 7 7 ARG C C 13 176.6866 0.0000 . 1 . . . . A 7 ARG C . 30738 1 31 . 1 . 1 7 7 ARG CA C 13 60.2217 0.0000 . 1 . . . . A 7 ARG CA . 30738 1 32 . 1 . 1 7 7 ARG CB C 13 29.5973 0.0000 . 1 . . . . A 7 ARG CB . 30738 1 33 . 1 . 1 7 7 ARG N N 15 120.7485 0.0000 . 1 . . . . A 7 ARG N . 30738 1 34 . 1 . 1 8 8 ASP H H 1 8.2115 0.0000 . 1 . . . . A 8 ASP H . 30738 1 35 . 1 . 1 8 8 ASP HA H 1 4.1075 0.0000 . 1 . . . . A 8 ASP HA . 30738 1 36 . 1 . 1 8 8 ASP HB2 H 1 2.2600 0.0000 . 2 . . . . A 8 ASP HB2 . 30738 1 37 . 1 . 1 8 8 ASP HB3 H 1 1.4806 0.0000 . 2 . . . . A 8 ASP HB3 . 30738 1 38 . 1 . 1 8 8 ASP C C 13 175.1642 0.0000 . 1 . . . . A 8 ASP C . 30738 1 39 . 1 . 1 8 8 ASP CA C 13 58.2522 0.0000 . 1 . . . . A 8 ASP CA . 30738 1 40 . 1 . 1 8 8 ASP CB C 13 41.9870 0.0000 . 1 . . . . A 8 ASP CB . 30738 1 41 . 1 . 1 8 8 ASP N N 15 121.0404 0.0000 . 1 . . . . A 8 ASP N . 30738 1 42 . 1 . 1 9 9 TRP H H 1 8.1982 0.0000 . 1 . . . . A 9 TRP H . 30738 1 43 . 1 . 1 9 9 TRP HA H 1 4.0625 0.0000 . 1 . . . . A 9 TRP HA . 30738 1 44 . 1 . 1 9 9 TRP HB2 H 1 3.5700 0.0000 . 2 . . . . A 9 TRP HB2 . 30738 1 45 . 1 . 1 9 9 TRP HD1 H 1 7.2503 0.0000 . 1 . . . . A 9 TRP HD1 . 30738 1 46 . 1 . 1 9 9 TRP HE1 H 1 10.3010 0.0000 . 1 . . . . A 9 TRP HE1 . 30738 1 47 . 1 . 1 9 9 TRP HE3 H 1 7.5717 0.0000 . 1 . . . . A 9 TRP HE3 . 30738 1 48 . 1 . 1 9 9 TRP HZ2 H 1 7.4330 0.0000 . 1 . . . . A 9 TRP HZ2 . 30738 1 49 . 1 . 1 9 9 TRP HZ3 H 1 6.7149 0.0000 . 1 . . . . A 9 TRP HZ3 . 30738 1 50 . 1 . 1 9 9 TRP HH2 H 1 7.1687 0.0000 . 1 . . . . A 9 TRP HH2 . 30738 1 51 . 1 . 1 9 9 TRP C C 13 175.7207 0.0000 . 1 . . . . A 9 TRP C . 30738 1 52 . 1 . 1 9 9 TRP CA C 13 61.5371 0.0000 . 1 . . . . A 9 TRP CA . 30738 1 53 . 1 . 1 9 9 TRP CB C 13 29.9681 0.0000 . 1 . . . . A 9 TRP CB . 30738 1 54 . 1 . 1 9 9 TRP CD1 C 13 127.6089 0.0000 . 1 . . . . A 9 TRP CD1 . 30738 1 55 . 1 . 1 9 9 TRP CE3 C 13 121.1533 0.0000 . 1 . . . . A 9 TRP CE3 . 30738 1 56 . 1 . 1 9 9 TRP CZ2 C 13 115.4463 0.0000 . 1 . . . . A 9 TRP CZ2 . 30738 1 57 . 1 . 1 9 9 TRP CZ3 C 13 122.3977 0.0000 . 1 . . . . A 9 TRP CZ3 . 30738 1 58 . 1 . 1 9 9 TRP CH2 C 13 125.1761 0.0000 . 1 . . . . A 9 TRP CH2 . 30738 1 59 . 1 . 1 9 9 TRP N N 15 119.8248 0.0000 . 1 . . . . A 9 TRP N . 30738 1 60 . 1 . 1 9 9 TRP NE1 N 15 128.9714 0.0000 . 1 . . . . A 9 TRP NE1 . 30738 1 61 . 1 . 1 10 10 LYS H H 1 7.3490 0.0000 . 1 . . . . A 10 LYS H . 30738 1 62 . 1 . 1 10 10 LYS HA H 1 4.0776 0.0000 . 1 . . . . A 10 LYS HA . 30738 1 63 . 1 . 1 10 10 LYS HB2 H 1 1.9412 0.0000 . 2 . . . . A 10 LYS HB2 . 30738 1 64 . 1 . 1 10 10 LYS HG2 H 1 1.5417 0.0000 . 2 . . . . A 10 LYS HG2 . 30738 1 65 . 1 . 1 10 10 LYS HG3 H 1 0.8754 0.0000 . 2 . . . . A 10 LYS HG3 . 30738 1 66 . 1 . 1 10 10 LYS C C 13 174.8613 0.0000 . 1 . . . . A 10 LYS C . 30738 1 67 . 1 . 1 10 10 LYS CA C 13 61.0086 0.0000 . 1 . . . . A 10 LYS CA . 30738 1 68 . 1 . 1 10 10 LYS CB C 13 30.1847 0.0000 . 1 . . . . A 10 LYS CB . 30738 1 69 . 1 . 1 10 10 LYS CG C 13 26.0958 0.0000 . 1 . . . . A 10 LYS CG . 30738 1 70 . 1 . 1 10 10 LYS N N 15 120.2468 0.0000 . 1 . . . . A 10 LYS N . 30738 1 71 . 1 . 1 11 11 MET H H 1 7.8548 0.0000 . 1 . . . . A 11 MET H . 30738 1 72 . 1 . 1 11 11 MET HA H 1 4.0999 0.0000 . 1 . . . . A 11 MET HA . 30738 1 73 . 1 . 1 11 11 MET HB2 H 1 2.2570 0.0000 . 2 . . . . A 11 MET HB2 . 30738 1 74 . 1 . 1 11 11 MET HE1 H 1 2.0831 0.0000 . 1 . . . . A 11 MET HE1 . 30738 1 75 . 1 . 1 11 11 MET HE2 H 1 2.0831 0.0000 . 1 . . . . A 11 MET HE2 . 30738 1 76 . 1 . 1 11 11 MET HE3 H 1 2.0831 0.0000 . 1 . . . . A 11 MET HE3 . 30738 1 77 . 1 . 1 11 11 MET C C 13 175.5634 0.0000 . 1 . . . . A 11 MET C . 30738 1 78 . 1 . 1 11 11 MET CA C 13 59.8934 0.0000 . 1 . . . . A 11 MET CA . 30738 1 79 . 1 . 1 11 11 MET CB C 13 31.9697 0.0000 . 1 . . . . A 11 MET CB . 30738 1 80 . 1 . 1 11 11 MET CE C 13 18.4386 0.0000 . 1 . . . . A 11 MET CE . 30738 1 81 . 1 . 1 11 11 MET N N 15 117.4561 0.0000 . 1 . . . . A 11 MET N . 30738 1 82 . 1 . 1 12 12 ALA H H 1 7.9803 0.0000 . 1 . . . . A 12 ALA H . 30738 1 83 . 1 . 1 12 12 ALA HA H 1 3.9771 0.0000 . 1 . . . . A 12 ALA HA . 30738 1 84 . 1 . 1 12 12 ALA HB1 H 1 1.1600 0.0000 . 1 . . . . A 12 ALA HB1 . 30738 1 85 . 1 . 1 12 12 ALA HB2 H 1 1.1600 0.0000 . 1 . . . . A 12 ALA HB2 . 30738 1 86 . 1 . 1 12 12 ALA HB3 H 1 1.1600 0.0000 . 1 . . . . A 12 ALA HB3 . 30738 1 87 . 1 . 1 12 12 ALA C C 13 182.6868 0.0000 . 1 . . . . A 12 ALA C . 30738 1 88 . 1 . 1 12 12 ALA CA C 13 56.0635 0.0000 . 1 . . . . A 12 ALA CA . 30738 1 89 . 1 . 1 12 12 ALA CB C 13 19.2831 0.0000 . 1 . . . . A 12 ALA CB . 30738 1 90 . 1 . 1 12 12 ALA N N 15 122.6730 0.0000 . 1 . . . . A 12 ALA N . 30738 1 91 . 1 . 1 13 13 ILE H H 1 8.4021 0.0000 . 1 . . . . A 13 ILE H . 30738 1 92 . 1 . 1 13 13 ILE HA H 1 3.5141 0.0000 . 1 . . . . A 13 ILE HA . 30738 1 93 . 1 . 1 13 13 ILE HB H 1 2.1817 0.0000 . 1 . . . . A 13 ILE HB . 30738 1 94 . 1 . 1 13 13 ILE HG12 H 1 1.3476 0.0000 . 2 . . . . A 13 ILE HG12 . 30738 1 95 . 1 . 1 13 13 ILE HG21 H 1 1.1659 0.0000 . 1 . . . . A 13 ILE HG21 . 30738 1 96 . 1 . 1 13 13 ILE HG22 H 1 1.1659 0.0000 . 1 . . . . A 13 ILE HG22 . 30738 1 97 . 1 . 1 13 13 ILE HG23 H 1 1.1659 0.0000 . 1 . . . . A 13 ILE HG23 . 30738 1 98 . 1 . 1 13 13 ILE HD11 H 1 0.9349 0.0000 . 1 . . . . A 13 ILE HD11 . 30738 1 99 . 1 . 1 13 13 ILE HD12 H 1 0.9349 0.0000 . 1 . . . . A 13 ILE HD12 . 30738 1 100 . 1 . 1 13 13 ILE HD13 H 1 0.9349 0.0000 . 1 . . . . A 13 ILE HD13 . 30738 1 101 . 1 . 1 13 13 ILE C C 13 176.8478 0.0000 . 1 . . . . A 13 ILE C . 30738 1 102 . 1 . 1 13 13 ILE CA C 13 65.2382 0.0000 . 1 . . . . A 13 ILE CA . 30738 1 103 . 1 . 1 13 13 ILE CB C 13 37.7414 0.0000 . 1 . . . . A 13 ILE CB . 30738 1 104 . 1 . 1 13 13 ILE CG1 C 13 29.8355 0.0000 . 1 . . . . A 13 ILE CG1 . 30738 1 105 . 1 . 1 13 13 ILE CG2 C 13 18.4184 0.0000 . 1 . . . . A 13 ILE CG2 . 30738 1 106 . 1 . 1 13 13 ILE CD1 C 13 13.4856 0.0000 . 1 . . . . A 13 ILE CD1 . 30738 1 107 . 1 . 1 13 13 ILE N N 15 117.6210 0.0000 . 1 . . . . A 13 ILE N . 30738 1 108 . 1 . 1 14 14 LYS H H 1 8.1350 0.0000 . 1 . . . . A 14 LYS H . 30738 1 109 . 1 . 1 14 14 LYS HA H 1 4.1780 0.0000 . 1 . . . . A 14 LYS HA . 30738 1 110 . 1 . 1 14 14 LYS HB2 H 1 2.1181 0.0000 . 2 . . . . A 14 LYS HB2 . 30738 1 111 . 1 . 1 14 14 LYS HG2 H 1 1.6233 0.0000 . 2 . . . . A 14 LYS HG2 . 30738 1 112 . 1 . 1 14 14 LYS HD2 H 1 1.8072 0.0000 . 2 . . . . A 14 LYS HD2 . 30738 1 113 . 1 . 1 14 14 LYS HE2 H 1 3.0462 0.0000 . 2 . . . . A 14 LYS HE2 . 30738 1 114 . 1 . 1 14 14 LYS C C 13 176.3535 0.0000 . 1 . . . . A 14 LYS C . 30738 1 115 . 1 . 1 14 14 LYS CA C 13 60.7661 0.0000 . 1 . . . . A 14 LYS CA . 30738 1 116 . 1 . 1 14 14 LYS CB C 13 32.2776 0.0000 . 1 . . . . A 14 LYS CB . 30738 1 117 . 1 . 1 14 14 LYS CG C 13 25.4911 0.0000 . 1 . . . . A 14 LYS CG . 30738 1 118 . 1 . 1 14 14 LYS CD C 13 29.5841 0.0000 . 1 . . . . A 14 LYS CD . 30738 1 119 . 1 . 1 14 14 LYS CE C 13 42.3908 0.0000 . 1 . . . . A 14 LYS CE . 30738 1 120 . 1 . 1 14 14 LYS N N 15 122.1049 0.0000 . 1 . . . . A 14 LYS N . 30738 1 121 . 1 . 1 15 15 ARG H H 1 8.1558 0.0000 . 1 . . . . A 15 ARG H . 30738 1 122 . 1 . 1 15 15 ARG HA H 1 4.1400 0.0000 . 1 . . . . A 15 ARG HA . 30738 1 123 . 1 . 1 15 15 ARG HB2 H 1 1.9675 0.0000 . 2 . . . . A 15 ARG HB2 . 30738 1 124 . 1 . 1 15 15 ARG HG2 H 1 1.6164 0.0000 . 2 . . . . A 15 ARG HG2 . 30738 1 125 . 1 . 1 15 15 ARG HD2 H 1 3.2579 0.0000 . 2 . . . . A 15 ARG HD2 . 30738 1 126 . 1 . 1 15 15 ARG C C 13 176.8596 0.0000 . 1 . . . . A 15 ARG C . 30738 1 127 . 1 . 1 15 15 ARG CA C 13 60.5562 0.0000 . 1 . . . . A 15 ARG CA . 30738 1 128 . 1 . 1 15 15 ARG CB C 13 31.7687 0.0000 . 1 . . . . A 15 ARG CB . 30738 1 129 . 1 . 1 15 15 ARG CG C 13 25.7673 0.0000 . 1 . . . . A 15 ARG CG . 30738 1 130 . 1 . 1 15 15 ARG CD C 13 44.4030 0.0000 . 1 . . . . A 15 ARG CD . 30738 1 131 . 1 . 1 15 15 ARG N N 15 119.4334 0.0000 . 1 . . . . A 15 ARG N . 30738 1 132 . 1 . 1 16 16 CYS H H 1 7.7724 0.0000 . 1 . . . . A 16 CYS H . 30738 1 133 . 1 . 1 16 16 CYS HA H 1 4.0906 0.0000 . 1 . . . . A 16 CYS HA . 30738 1 134 . 1 . 1 16 16 CYS HB2 H 1 3.1045 0.0000 . 2 . . . . A 16 CYS HB2 . 30738 1 135 . 1 . 1 16 16 CYS C C 13 172.8207 0.0000 . 1 . . . . A 16 CYS C . 30738 1 136 . 1 . 1 16 16 CYS CA C 13 62.7722 0.0000 . 1 . . . . A 16 CYS CA . 30738 1 137 . 1 . 1 16 16 CYS CB C 13 29.2945 0.0000 . 1 . . . . A 16 CYS CB . 30738 1 138 . 1 . 1 16 16 CYS N N 15 115.9306 0.0000 . 1 . . . . A 16 CYS N . 30738 1 139 . 1 . 1 17 17 SER H H 1 7.8990 0.0000 . 1 . . . . A 17 SER H . 30738 1 140 . 1 . 1 17 17 SER HA H 1 4.9493 0.0000 . 1 . . . . A 17 SER HA . 30738 1 141 . 1 . 1 17 17 SER HB2 H 1 4.2470 0.0000 . 2 . . . . A 17 SER HB2 . 30738 1 142 . 1 . 1 17 17 SER C C 13 170.8565 0.0000 . 1 . . . . A 17 SER C . 30738 1 143 . 1 . 1 17 17 SER CA C 13 61.1452 0.0000 . 1 . . . . A 17 SER CA . 30738 1 144 . 1 . 1 17 17 SER CB C 13 63.6250 0.0000 . 1 . . . . A 17 SER CB . 30738 1 145 . 1 . 1 17 17 SER N N 15 114.1757 0.0000 . 1 . . . . A 17 SER N . 30738 1 146 . 1 . 1 18 18 ASN H H 1 7.5972 0.0000 . 1 . . . . A 18 ASN H . 30738 1 147 . 1 . 1 18 18 ASN HA H 1 5.0250 0.0000 . 1 . . . . A 18 ASN HA . 30738 1 148 . 1 . 1 18 18 ASN HB2 H 1 2.9405 0.0000 . 2 . . . . A 18 ASN HB2 . 30738 1 149 . 1 . 1 18 18 ASN HB3 H 1 2.7656 0.0000 . 2 . . . . A 18 ASN HB3 . 30738 1 150 . 1 . 1 18 18 ASN HD21 H 1 7.6300 0.0000 . 2 . . . . A 18 ASN HD21 . 30738 1 151 . 1 . 1 18 18 ASN C C 13 172.0811 0.0000 . 1 . . . . A 18 ASN C . 30738 1 152 . 1 . 1 18 18 ASN CA C 13 53.5306 0.0000 . 1 . . . . A 18 ASN CA . 30738 1 153 . 1 . 1 18 18 ASN CB C 13 40.2364 0.0000 . 1 . . . . A 18 ASN CB . 30738 1 154 . 1 . 1 18 18 ASN N N 15 116.2742 0.0000 . 1 . . . . A 18 ASN N . 30738 1 155 . 1 . 1 18 18 ASN ND2 N 15 113.8816 0.0000 . 1 . . . . A 18 ASN ND2 . 30738 1 156 . 1 . 1 19 19 VAL H H 1 7.9310 0.0000 . 1 . . . . A 19 VAL H . 30738 1 157 . 1 . 1 19 19 VAL HA H 1 3.8534 0.0000 . 1 . . . . A 19 VAL HA . 30738 1 158 . 1 . 1 19 19 VAL HB H 1 2.4597 0.0000 . 1 . . . . A 19 VAL HB . 30738 1 159 . 1 . 1 19 19 VAL HG11 H 1 0.9791 0.0000 . 2 . . . . A 19 VAL HG11 . 30738 1 160 . 1 . 1 19 19 VAL HG12 H 1 0.9791 0.0000 . 2 . . . . A 19 VAL HG12 . 30738 1 161 . 1 . 1 19 19 VAL HG13 H 1 0.9791 0.0000 . 2 . . . . A 19 VAL HG13 . 30738 1 162 . 1 . 1 19 19 VAL C C 13 171.6916 0.0000 . 1 . . . . A 19 VAL C . 30738 1 163 . 1 . 1 19 19 VAL CA C 13 63.6639 0.0000 . 1 . . . . A 19 VAL CA . 30738 1 164 . 1 . 1 19 19 VAL CB C 13 32.4537 0.0000 . 1 . . . . A 19 VAL CB . 30738 1 165 . 1 . 1 19 19 VAL CG1 C 13 21.8964 0.0000 . 2 . . . . A 19 VAL CG1 . 30738 1 166 . 1 . 1 19 19 VAL N N 15 122.2313 0.0000 . 1 . . . . A 19 VAL N . 30738 1 167 . 1 . 1 20 20 ALA H H 1 8.1987 0.0000 . 1 . . . . A 20 ALA H . 30738 1 168 . 1 . 1 20 20 ALA HA H 1 4.8228 0.0000 . 1 . . . . A 20 ALA HA . 30738 1 169 . 1 . 1 20 20 ALA HB1 H 1 1.5961 0.0000 . 1 . . . . A 20 ALA HB1 . 30738 1 170 . 1 . 1 20 20 ALA HB2 H 1 1.5961 0.0000 . 1 . . . . A 20 ALA HB2 . 30738 1 171 . 1 . 1 20 20 ALA HB3 H 1 1.5961 0.0000 . 1 . . . . A 20 ALA HB3 . 30738 1 172 . 1 . 1 20 20 ALA C C 13 174.6935 0.0000 . 1 . . . . A 20 ALA C . 30738 1 173 . 1 . 1 20 20 ALA CA C 13 52.5129 0.0000 . 1 . . . . A 20 ALA CA . 30738 1 174 . 1 . 1 20 20 ALA CB C 13 20.5980 0.0000 . 1 . . . . A 20 ALA CB . 30738 1 175 . 1 . 1 20 20 ALA N N 15 129.1559 0.0000 . 1 . . . . A 20 ALA N . 30738 1 176 . 1 . 1 21 21 VAL H H 1 8.3681 0.0000 . 1 . . . . A 21 VAL H . 30738 1 177 . 1 . 1 21 21 VAL HA H 1 3.7670 0.0000 . 1 . . . . A 21 VAL HA . 30738 1 178 . 1 . 1 21 21 VAL HB H 1 1.6413 0.0000 . 1 . . . . A 21 VAL HB . 30738 1 179 . 1 . 1 21 21 VAL HG11 H 1 0.2255 0.0000 . 2 . . . . A 21 VAL HG11 . 30738 1 180 . 1 . 1 21 21 VAL HG12 H 1 0.2255 0.0000 . 2 . . . . A 21 VAL HG12 . 30738 1 181 . 1 . 1 21 21 VAL HG13 H 1 0.2255 0.0000 . 2 . . . . A 21 VAL HG13 . 30738 1 182 . 1 . 1 21 21 VAL HG21 H 1 0.2680 0.0000 . 2 . . . . A 21 VAL HG21 . 30738 1 183 . 1 . 1 21 21 VAL HG22 H 1 0.2680 0.0000 . 2 . . . . A 21 VAL HG22 . 30738 1 184 . 1 . 1 21 21 VAL HG23 H 1 0.2680 0.0000 . 2 . . . . A 21 VAL HG23 . 30738 1 185 . 1 . 1 21 21 VAL C C 13 173.5967 0.0000 . 1 . . . . A 21 VAL C . 30738 1 186 . 1 . 1 21 21 VAL CA C 13 64.2547 0.0000 . 1 . . . . A 21 VAL CA . 30738 1 187 . 1 . 1 21 21 VAL CB C 13 32.3298 0.0000 . 1 . . . . A 21 VAL CB . 30738 1 188 . 1 . 1 21 21 VAL CG1 C 13 20.7685 0.0000 . 2 . . . . A 21 VAL CG1 . 30738 1 189 . 1 . 1 21 21 VAL N N 15 119.8919 0.0000 . 1 . . . . A 21 VAL N . 30738 1 190 . 1 . 1 22 22 GLY H H 1 8.2348 0.0000 . 1 . . . . A 22 GLY H . 30738 1 191 . 1 . 1 22 22 GLY HA2 H 1 4.2320 0.0000 . 2 . . . . A 22 GLY HA2 . 30738 1 192 . 1 . 1 22 22 GLY C C 13 170.6354 0.0000 . 1 . . . . A 22 GLY C . 30738 1 193 . 1 . 1 22 22 GLY CA C 13 45.2316 0.0000 . 1 . . . . A 22 GLY CA . 30738 1 194 . 1 . 1 22 22 GLY N N 15 108.3831 0.0000 . 1 . . . . A 22 GLY N . 30738 1 195 . 1 . 1 23 23 VAL HA H 1 4.2755 0.0000 . 1 . . . . A 23 VAL HA . 30738 1 196 . 1 . 1 23 23 VAL HB H 1 2.1159 0.0000 . 1 . . . . A 23 VAL HB . 30738 1 197 . 1 . 1 23 23 VAL HG11 H 1 0.9623 0.0000 . 2 . . . . A 23 VAL HG11 . 30738 1 198 . 1 . 1 23 23 VAL HG12 H 1 0.9623 0.0000 . 2 . . . . A 23 VAL HG12 . 30738 1 199 . 1 . 1 23 23 VAL HG13 H 1 0.9623 0.0000 . 2 . . . . A 23 VAL HG13 . 30738 1 200 . 1 . 1 23 23 VAL C C 13 177.0435 0.0000 . 1 . . . . A 23 VAL C . 30738 1 201 . 1 . 1 23 23 VAL CA C 13 62.6215 0.0000 . 1 . . . . A 23 VAL CA . 30738 1 202 . 1 . 1 23 23 VAL CB C 13 34.2841 0.0000 . 1 . . . . A 23 VAL CB . 30738 1 203 . 1 . 1 23 23 VAL CG1 C 13 21.8147 0.0000 . 2 . . . . A 23 VAL CG1 . 30738 1 204 . 1 . 1 24 24 GLY H H 1 8.2509 0.0000 . 1 . . . . A 24 GLY H . 30738 1 205 . 1 . 1 24 24 GLY HA2 H 1 4.0051 0.0000 . 2 . . . . A 24 GLY HA2 . 30738 1 206 . 1 . 1 24 24 GLY C C 13 171.6899 0.0000 . 1 . . . . A 24 GLY C . 30738 1 207 . 1 . 1 24 24 GLY CA C 13 45.8123 0.0000 . 1 . . . . A 24 GLY CA . 30738 1 208 . 1 . 1 24 24 GLY N N 15 113.1729 0.0000 . 1 . . . . A 24 GLY N . 30738 1 209 . 1 . 1 28 28 LYS HA H 1 4.6292 0.0000 . 1 . . . . A 28 LYS HA . 30738 1 210 . 1 . 1 28 28 LYS C C 13 172.9658 0.0000 . 1 . . . . A 28 LYS C . 30738 1 211 . 1 . 1 28 28 LYS CA C 13 56.9379 0.0000 . 1 . . . . A 28 LYS CA . 30738 1 212 . 1 . 1 28 28 LYS CB C 13 34.0369 0.0000 . 1 . . . . A 28 LYS CB . 30738 1 213 . 1 . 1 29 29 LYS H H 1 8.4604 0.0000 . 1 . . . . A 29 LYS H . 30738 1 214 . 1 . 1 29 29 LYS HA H 1 4.9679 0.0000 . 1 . . . . A 29 LYS HA . 30738 1 215 . 1 . 1 29 29 LYS HB2 H 1 2.3247 0.0000 . 2 . . . . A 29 LYS HB2 . 30738 1 216 . 1 . 1 29 29 LYS HB3 H 1 2.1929 0.0000 . 2 . . . . A 29 LYS HB3 . 30738 1 217 . 1 . 1 29 29 LYS HG2 H 1 1.4756 0.0000 . 2 . . . . A 29 LYS HG2 . 30738 1 218 . 1 . 1 29 29 LYS HD2 H 1 1.6812 0.0000 . 2 . . . . A 29 LYS HD2 . 30738 1 219 . 1 . 1 29 29 LYS C C 13 174.7849 0.0000 . 1 . . . . A 29 LYS C . 30738 1 220 . 1 . 1 29 29 LYS CA C 13 55.0301 0.0000 . 1 . . . . A 29 LYS CA . 30738 1 221 . 1 . 1 29 29 LYS CB C 13 35.1074 0.0000 . 1 . . . . A 29 LYS CB . 30738 1 222 . 1 . 1 29 29 LYS CG C 13 25.8384 0.0000 . 1 . . . . A 29 LYS CG . 30738 1 223 . 1 . 1 29 29 LYS CD C 13 29.4531 0.0000 . 1 . . . . A 29 LYS CD . 30738 1 224 . 1 . 1 29 29 LYS N N 15 121.1803 0.0000 . 1 . . . . A 29 LYS N . 30738 1 225 . 1 . 1 30 30 PHE H H 1 8.0612 0.0000 . 1 . . . . A 30 PHE H . 30738 1 226 . 1 . 1 30 30 PHE HA H 1 3.9426 0.0000 . 1 . . . . A 30 PHE HA . 30738 1 227 . 1 . 1 30 30 PHE HB2 H 1 3.2340 0.0000 . 2 . . . . A 30 PHE HB2 . 30738 1 228 . 1 . 1 30 30 PHE HB3 H 1 3.2226 0.0000 . 2 . . . . A 30 PHE HB3 . 30738 1 229 . 1 . 1 30 30 PHE HD1 H 1 7.1086 0.0000 . 3 . . . . A 30 PHE HD1 . 30738 1 230 . 1 . 1 30 30 PHE HE1 H 1 7.1548 0.0000 . 3 . . . . A 30 PHE HE1 . 30738 1 231 . 1 . 1 30 30 PHE C C 13 172.9645 0.0000 . 1 . . . . A 30 PHE C . 30738 1 232 . 1 . 1 30 30 PHE CA C 13 61.0326 0.0000 . 1 . . . . A 30 PHE CA . 30738 1 233 . 1 . 1 30 30 PHE CB C 13 42.5831 0.0000 . 1 . . . . A 30 PHE CB . 30738 1 234 . 1 . 1 30 30 PHE CD1 C 13 133.0021 0.0000 . 3 . . . . A 30 PHE CD1 . 30738 1 235 . 1 . 1 30 30 PHE CE1 C 13 129.4726 0.0000 . 3 . . . . A 30 PHE CE1 . 30738 1 236 . 1 . 1 30 30 PHE N N 15 119.1022 0.0000 . 1 . . . . A 30 PHE N . 30738 1 237 . 1 . 1 31 31 GLY H H 1 8.4099 0.0000 . 1 . . . . A 31 GLY H . 30738 1 238 . 1 . 1 31 31 GLY HA2 H 1 3.9535 0.0000 . 2 . . . . A 31 GLY HA2 . 30738 1 239 . 1 . 1 31 31 GLY C C 13 171.2130 0.0000 . 1 . . . . A 31 GLY C . 30738 1 240 . 1 . 1 31 31 GLY CA C 13 45.2215 0.0000 . 1 . . . . A 31 GLY CA . 30738 1 241 . 1 . 1 31 31 GLY N N 15 107.0400 0.0000 . 1 . . . . A 31 GLY N . 30738 1 242 . 1 . 1 32 32 GLU HA H 1 4.1550 0.0000 . 1 . . . . A 32 GLU HA . 30738 1 243 . 1 . 1 32 32 GLU HB2 H 1 2.1029 0.0000 . 2 . . . . A 32 GLU HB2 . 30738 1 244 . 1 . 1 32 32 GLU HG2 H 1 2.4067 0.0000 . 2 . . . . A 32 GLU HG2 . 30738 1 245 . 1 . 1 32 32 GLU CA C 13 59.7215 0.0000 . 1 . . . . A 32 GLU CA . 30738 1 246 . 1 . 1 32 32 GLU CB C 13 30.3076 0.0000 . 1 . . . . A 32 GLU CB . 30738 1 247 . 1 . 1 32 32 GLU CG C 13 37.4753 0.0000 . 1 . . . . A 32 GLU CG . 30738 1 248 . 1 . 1 33 33 GLY H H 1 6.9173 0.0000 . 1 . . . . A 33 GLY H . 30738 1 249 . 1 . 1 33 33 GLY HA2 H 1 3.9804 0.0000 . 2 . . . . A 33 GLY HA2 . 30738 1 250 . 1 . 1 33 33 GLY C C 13 174.3973 0.0000 . 1 . . . . A 33 GLY C . 30738 1 251 . 1 . 1 33 33 GLY CA C 13 47.8067 0.0000 . 1 . . . . A 33 GLY CA . 30738 1 252 . 1 . 1 33 33 GLY N N 15 104.5039 0.0000 . 1 . . . . A 33 GLY N . 30738 1 253 . 1 . 1 34 34 ASN H H 1 7.9395 0.0000 . 1 . . . . A 34 ASN H . 30738 1 254 . 1 . 1 34 34 ASN HA H 1 4.7061 0.0000 . 1 . . . . A 34 ASN HA . 30738 1 255 . 1 . 1 34 34 ASN HB2 H 1 2.9845 0.0000 . 2 . . . . A 34 ASN HB2 . 30738 1 256 . 1 . 1 34 34 ASN HB3 H 1 2.5423 0.0000 . 2 . . . . A 34 ASN HB3 . 30738 1 257 . 1 . 1 34 34 ASN HD22 H 1 6.9851 0.0000 . 2 . . . . A 34 ASN HD22 . 30738 1 258 . 1 . 1 34 34 ASN C C 13 174.3852 0.0000 . 1 . . . . A 34 ASN C . 30738 1 259 . 1 . 1 34 34 ASN CA C 13 57.9808 0.0000 . 1 . . . . A 34 ASN CA . 30738 1 260 . 1 . 1 34 34 ASN CB C 13 39.6246 0.0000 . 1 . . . . A 34 ASN CB . 30738 1 261 . 1 . 1 34 34 ASN CG C 13 172.8467 0.0000 . 1 . . . . A 34 ASN CG . 30738 1 262 . 1 . 1 34 34 ASN N N 15 118.1171 0.0000 . 1 . . . . A 34 ASN N . 30738 1 263 . 1 . 1 34 34 ASN ND2 N 15 112.0366 0.0000 . 1 . . . . A 34 ASN ND2 . 30738 1 264 . 1 . 1 35 35 PHE H H 1 7.2287 0.0000 . 1 . . . . A 35 PHE H . 30738 1 265 . 1 . 1 35 35 PHE HA H 1 4.1473 0.0000 . 1 . . . . A 35 PHE HA . 30738 1 266 . 1 . 1 35 35 PHE HB2 H 1 3.0029 0.0000 . 2 . . . . A 35 PHE HB2 . 30738 1 267 . 1 . 1 35 35 PHE HD1 H 1 7.1008 0.0000 . 3 . . . . A 35 PHE HD1 . 30738 1 268 . 1 . 1 35 35 PHE HE1 H 1 7.4363 0.0000 . 3 . . . . A 35 PHE HE1 . 30738 1 269 . 1 . 1 35 35 PHE HZ H 1 8.0457 0.0000 . 1 . . . . A 35 PHE HZ . 30738 1 270 . 1 . 1 35 35 PHE C C 13 174.0050 0.0000 . 1 . . . . A 35 PHE C . 30738 1 271 . 1 . 1 35 35 PHE CA C 13 62.6494 0.0000 . 1 . . . . A 35 PHE CA . 30738 1 272 . 1 . 1 35 35 PHE CB C 13 39.9075 0.0000 . 1 . . . . A 35 PHE CB . 30738 1 273 . 1 . 1 35 35 PHE CD1 C 13 133.2012 0.0000 . 3 . . . . A 35 PHE CD1 . 30738 1 274 . 1 . 1 35 35 PHE CE1 C 13 131.9646 0.0000 . 3 . . . . A 35 PHE CE1 . 30738 1 275 . 1 . 1 35 35 PHE N N 15 117.4528 0.0000 . 1 . . . . A 35 PHE N . 30738 1 276 . 1 . 1 36 36 ARG H H 1 8.2571 0.0000 . 1 . . . . A 36 ARG H . 30738 1 277 . 1 . 1 36 36 ARG HA H 1 3.9840 0.0000 . 1 . . . . A 36 ARG HA . 30738 1 278 . 1 . 1 36 36 ARG HB2 H 1 1.9170 0.0000 . 2 . . . . A 36 ARG HB2 . 30738 1 279 . 1 . 1 36 36 ARG HG2 H 1 1.8003 0.0000 . 2 . . . . A 36 ARG HG2 . 30738 1 280 . 1 . 1 36 36 ARG HD2 H 1 3.2520 0.0000 . 2 . . . . A 36 ARG HD2 . 30738 1 281 . 1 . 1 36 36 ARG C C 13 175.8780 0.0000 . 1 . . . . A 36 ARG C . 30738 1 282 . 1 . 1 36 36 ARG CA C 13 60.0845 0.0000 . 1 . . . . A 36 ARG CA . 30738 1 283 . 1 . 1 36 36 ARG CB C 13 30.3116 0.0000 . 1 . . . . A 36 ARG CB . 30738 1 284 . 1 . 1 36 36 ARG CG C 13 29.7741 0.0000 . 1 . . . . A 36 ARG CG . 30738 1 285 . 1 . 1 36 36 ARG CD C 13 43.5978 0.0000 . 1 . . . . A 36 ARG CD . 30738 1 286 . 1 . 1 36 36 ARG N N 15 117.9703 0.0000 . 1 . . . . A 36 ARG N . 30738 1 287 . 1 . 1 37 37 TRP H H 1 8.1404 0.0000 . 1 . . . . A 37 TRP H . 30738 1 288 . 1 . 1 37 37 TRP HA H 1 4.1566 0.0000 . 1 . . . . A 37 TRP HA . 30738 1 289 . 1 . 1 37 37 TRP HB2 H 1 3.5086 0.0000 . 2 . . . . A 37 TRP HB2 . 30738 1 290 . 1 . 1 37 37 TRP HD1 H 1 7.3616 0.0000 . 1 . . . . A 37 TRP HD1 . 30738 1 291 . 1 . 1 37 37 TRP HE1 H 1 10.3936 0.0000 . 1 . . . . A 37 TRP HE1 . 30738 1 292 . 1 . 1 37 37 TRP HE3 H 1 7.8423 0.0000 . 1 . . . . A 37 TRP HE3 . 30738 1 293 . 1 . 1 37 37 TRP HZ2 H 1 7.4544 0.0000 . 1 . . . . A 37 TRP HZ2 . 30738 1 294 . 1 . 1 37 37 TRP HZ3 H 1 6.7384 0.0000 . 1 . . . . A 37 TRP HZ3 . 30738 1 295 . 1 . 1 37 37 TRP HH2 H 1 7.6627 0.0000 . 1 . . . . A 37 TRP HH2 . 30738 1 296 . 1 . 1 37 37 TRP C C 13 174.7445 0.0000 . 1 . . . . A 37 TRP C . 30738 1 297 . 1 . 1 37 37 TRP CA C 13 62.1675 0.0000 . 1 . . . . A 37 TRP CA . 30738 1 298 . 1 . 1 37 37 TRP CB C 13 29.0821 0.0000 . 1 . . . . A 37 TRP CB . 30738 1 299 . 1 . 1 37 37 TRP CD1 C 13 128.6001 0.0000 . 1 . . . . A 37 TRP CD1 . 30738 1 300 . 1 . 1 37 37 TRP CE3 C 13 121.7440 0.0000 . 1 . . . . A 37 TRP CE3 . 30738 1 301 . 1 . 1 37 37 TRP CZ3 C 13 120.3359 0.0000 . 1 . . . . A 37 TRP CZ3 . 30738 1 302 . 1 . 1 37 37 TRP CH2 C 13 125.1632 0.0000 . 1 . . . . A 37 TRP CH2 . 30738 1 303 . 1 . 1 37 37 TRP N N 15 118.9876 0.0000 . 1 . . . . A 37 TRP N . 30738 1 304 . 1 . 1 37 37 TRP NE1 N 15 130.7688 0.0000 . 1 . . . . A 37 TRP NE1 . 30738 1 305 . 1 . 1 38 38 ALA H H 1 8.3506 0.0000 . 1 . . . . A 38 ALA H . 30738 1 306 . 1 . 1 38 38 ALA HA H 1 3.1327 0.0000 . 1 . . . . A 38 ALA HA . 30738 1 307 . 1 . 1 38 38 ALA HB1 H 1 1.6713 0.0000 . 1 . . . . A 38 ALA HB1 . 30738 1 308 . 1 . 1 38 38 ALA HB2 H 1 1.6713 0.0000 . 1 . . . . A 38 ALA HB2 . 30738 1 309 . 1 . 1 38 38 ALA HB3 H 1 1.6713 0.0000 . 1 . . . . A 38 ALA HB3 . 30738 1 310 . 1 . 1 38 38 ALA C C 13 176.4812 0.0000 . 1 . . . . A 38 ALA C . 30738 1 311 . 1 . 1 38 38 ALA CA C 13 55.9761 0.0000 . 1 . . . . A 38 ALA CA . 30738 1 312 . 1 . 1 38 38 ALA CB C 13 20.0650 0.0000 . 1 . . . . A 38 ALA CB . 30738 1 313 . 1 . 1 38 38 ALA N N 15 120.0195 0.0000 . 1 . . . . A 38 ALA N . 30738 1 314 . 1 . 1 39 39 ILE H H 1 8.1739 0.0000 . 1 . . . . A 39 ILE H . 30738 1 315 . 1 . 1 39 39 ILE HA H 1 4.2920 0.0000 . 1 . . . . A 39 ILE HA . 30738 1 316 . 1 . 1 39 39 ILE HB H 1 1.6756 0.0000 . 1 . . . . A 39 ILE HB . 30738 1 317 . 1 . 1 39 39 ILE HG21 H 1 0.6583 0.0000 . 1 . . . . A 39 ILE HG21 . 30738 1 318 . 1 . 1 39 39 ILE HG22 H 1 0.6583 0.0000 . 1 . . . . A 39 ILE HG22 . 30738 1 319 . 1 . 1 39 39 ILE HG23 H 1 0.6583 0.0000 . 1 . . . . A 39 ILE HG23 . 30738 1 320 . 1 . 1 39 39 ILE HD11 H 1 0.9192 0.0000 . 1 . . . . A 39 ILE HD11 . 30738 1 321 . 1 . 1 39 39 ILE HD12 H 1 0.9192 0.0000 . 1 . . . . A 39 ILE HD12 . 30738 1 322 . 1 . 1 39 39 ILE HD13 H 1 0.9192 0.0000 . 1 . . . . A 39 ILE HD13 . 30738 1 323 . 1 . 1 39 39 ILE C C 13 172.5328 0.0000 . 1 . . . . A 39 ILE C . 30738 1 324 . 1 . 1 39 39 ILE CA C 13 60.9832 0.0000 . 1 . . . . A 39 ILE CA . 30738 1 325 . 1 . 1 39 39 ILE CB C 13 38.4140 0.0000 . 1 . . . . A 39 ILE CB . 30738 1 326 . 1 . 1 39 39 ILE CG2 C 13 11.0706 0.0000 . 1 . . . . A 39 ILE CG2 . 30738 1 327 . 1 . 1 39 39 ILE CD1 C 13 14.4827 0.0000 . 1 . . . . A 39 ILE CD1 . 30738 1 328 . 1 . 1 39 39 ILE N N 15 115.4117 0.0000 . 1 . . . . A 39 ILE N . 30738 1 329 . 1 . 1 40 40 ARG H H 1 7.0466 0.0000 . 1 . . . . A 40 ARG H . 30738 1 330 . 1 . 1 40 40 ARG HA H 1 4.1591 0.0000 . 1 . . . . A 40 ARG HA . 30738 1 331 . 1 . 1 40 40 ARG HB2 H 1 1.7680 0.0000 . 2 . . . . A 40 ARG HB2 . 30738 1 332 . 1 . 1 40 40 ARG HG2 H 1 1.5572 0.0000 . 2 . . . . A 40 ARG HG2 . 30738 1 333 . 1 . 1 40 40 ARG HD2 H 1 3.0039 0.0000 . 2 . . . . A 40 ARG HD2 . 30738 1 334 . 1 . 1 40 40 ARG HD3 H 1 3.1795 0.0000 . 2 . . . . A 40 ARG HD3 . 30738 1 335 . 1 . 1 40 40 ARG C C 13 175.4902 0.0000 . 1 . . . . A 40 ARG C . 30738 1 336 . 1 . 1 40 40 ARG CA C 13 61.0303 0.0000 . 1 . . . . A 40 ARG CA . 30738 1 337 . 1 . 1 40 40 ARG CB C 13 29.8157 0.0000 . 1 . . . . A 40 ARG CB . 30738 1 338 . 1 . 1 40 40 ARG CG C 13 25.8256 0.0000 . 1 . . . . A 40 ARG CG . 30738 1 339 . 1 . 1 40 40 ARG CD C 13 42.6199 0.0000 . 1 . . . . A 40 ARG CD . 30738 1 340 . 1 . 1 40 40 ARG N N 15 124.0331 0.0000 . 1 . . . . A 40 ARG N . 30738 1 341 . 1 . 1 41 41 MET H H 1 7.8928 0.0000 . 1 . . . . A 41 MET H . 30738 1 342 . 1 . 1 41 41 MET HA H 1 4.0319 0.0000 . 1 . . . . A 41 MET HA . 30738 1 343 . 1 . 1 41 41 MET HB2 H 1 1.1915 0.0000 . 2 . . . . A 41 MET HB2 . 30738 1 344 . 1 . 1 41 41 MET HG2 H 1 2.1037 0.0000 . 2 . . . . A 41 MET HG2 . 30738 1 345 . 1 . 1 41 41 MET HE1 H 1 1.7430 0.0000 . 1 . . . . A 41 MET HE1 . 30738 1 346 . 1 . 1 41 41 MET HE2 H 1 1.7430 0.0000 . 1 . . . . A 41 MET HE2 . 30738 1 347 . 1 . 1 41 41 MET HE3 H 1 1.7430 0.0000 . 1 . . . . A 41 MET HE3 . 30738 1 348 . 1 . 1 41 41 MET C C 13 176.6342 0.0000 . 1 . . . . A 41 MET C . 30738 1 349 . 1 . 1 41 41 MET CA C 13 57.6038 0.0000 . 1 . . . . A 41 MET CA . 30738 1 350 . 1 . 1 41 41 MET CB C 13 31.5002 0.0000 . 1 . . . . A 41 MET CB . 30738 1 351 . 1 . 1 41 41 MET CG C 13 32.5118 0.0000 . 1 . . . . A 41 MET CG . 30738 1 352 . 1 . 1 41 41 MET CE C 13 13.4844 0.0000 . 1 . . . . A 41 MET CE . 30738 1 353 . 1 . 1 41 41 MET N N 15 117.6419 0.0000 . 1 . . . . A 41 MET N . 30738 1 354 . 1 . 1 42 42 ALA H H 1 8.6036 0.0000 . 1 . . . . A 42 ALA H . 30738 1 355 . 1 . 1 42 42 ALA HA H 1 3.8109 0.0000 . 1 . . . . A 42 ALA HA . 30738 1 356 . 1 . 1 42 42 ALA HB1 H 1 1.3102 0.0000 . 1 . . . . A 42 ALA HB1 . 30738 1 357 . 1 . 1 42 42 ALA HB2 H 1 1.3102 0.0000 . 1 . . . . A 42 ALA HB2 . 30738 1 358 . 1 . 1 42 42 ALA HB3 H 1 1.3102 0.0000 . 1 . . . . A 42 ALA HB3 . 30738 1 359 . 1 . 1 42 42 ALA C C 13 176.7238 0.0000 . 1 . . . . A 42 ALA C . 30738 1 360 . 1 . 1 42 42 ALA CA C 13 55.4940 0.0000 . 1 . . . . A 42 ALA CA . 30738 1 361 . 1 . 1 42 42 ALA CB C 13 20.4819 0.0000 . 1 . . . . A 42 ALA CB . 30738 1 362 . 1 . 1 42 42 ALA N N 15 123.3472 0.0000 . 1 . . . . A 42 ALA N . 30738 1 363 . 1 . 1 43 43 ASN H H 1 8.5990 0.0000 . 1 . . . . A 43 ASN H . 30738 1 364 . 1 . 1 43 43 ASN HA H 1 4.3149 0.0000 . 1 . . . . A 43 ASN HA . 30738 1 365 . 1 . 1 43 43 ASN HB2 H 1 2.9634 0.0000 . 2 . . . . A 43 ASN HB2 . 30738 1 366 . 1 . 1 43 43 ASN HB3 H 1 2.8776 0.0000 . 2 . . . . A 43 ASN HB3 . 30738 1 367 . 1 . 1 43 43 ASN HD21 H 1 7.1557 0.0000 . 2 . . . . A 43 ASN HD21 . 30738 1 368 . 1 . 1 43 43 ASN HD22 H 1 6.2868 0.0000 . 2 . . . . A 43 ASN HD22 . 30738 1 369 . 1 . 1 43 43 ASN C C 13 175.1786 0.0000 . 1 . . . . A 43 ASN C . 30738 1 370 . 1 . 1 43 43 ASN CA C 13 56.1182 0.0000 . 1 . . . . A 43 ASN CA . 30738 1 371 . 1 . 1 43 43 ASN CB C 13 38.9349 0.0000 . 1 . . . . A 43 ASN CB . 30738 1 372 . 1 . 1 43 43 ASN N N 15 119.4313 0.0000 . 1 . . . . A 43 ASN N . 30738 1 373 . 1 . 1 43 43 ASN ND2 N 15 108.5943 0.0000 . 1 . . . . A 43 ASN ND2 . 30738 1 374 . 1 . 1 44 44 VAL H H 1 8.4627 0.0000 . 1 . . . . A 44 VAL H . 30738 1 375 . 1 . 1 44 44 VAL HA H 1 3.9489 0.0000 . 1 . . . . A 44 VAL HA . 30738 1 376 . 1 . 1 44 44 VAL HB H 1 2.1890 0.0000 . 1 . . . . A 44 VAL HB . 30738 1 377 . 1 . 1 44 44 VAL HG11 H 1 1.0871 0.0000 . 2 . . . . A 44 VAL HG11 . 30738 1 378 . 1 . 1 44 44 VAL HG12 H 1 1.0871 0.0000 . 2 . . . . A 44 VAL HG12 . 30738 1 379 . 1 . 1 44 44 VAL HG13 H 1 1.0871 0.0000 . 2 . . . . A 44 VAL HG13 . 30738 1 380 . 1 . 1 44 44 VAL C C 13 177.1582 0.0000 . 1 . . . . A 44 VAL C . 30738 1 381 . 1 . 1 44 44 VAL CA C 13 66.5916 0.0000 . 1 . . . . A 44 VAL CA . 30738 1 382 . 1 . 1 44 44 VAL CB C 13 32.1900 0.0000 . 1 . . . . A 44 VAL CB . 30738 1 383 . 1 . 1 44 44 VAL CG1 C 13 22.1954 0.0000 . 2 . . . . A 44 VAL CG1 . 30738 1 384 . 1 . 1 44 44 VAL N N 15 118.3850 0.0000 . 1 . . . . A 44 VAL N . 30738 1 385 . 1 . 1 45 45 SER H H 1 7.9932 0.0000 . 1 . . . . A 45 SER H . 30738 1 386 . 1 . 1 45 45 SER HA H 1 4.3706 0.0000 . 1 . . . . A 45 SER HA . 30738 1 387 . 1 . 1 45 45 SER HB2 H 1 3.8676 0.0000 . 2 . . . . A 45 SER HB2 . 30738 1 388 . 1 . 1 45 45 SER C C 13 171.3080 0.0000 . 1 . . . . A 45 SER C . 30738 1 389 . 1 . 1 45 45 SER CA C 13 61.7972 0.0000 . 1 . . . . A 45 SER CA . 30738 1 390 . 1 . 1 45 45 SER CB C 13 64.2457 0.0000 . 1 . . . . A 45 SER CB . 30738 1 391 . 1 . 1 45 45 SER N N 15 113.6901 0.0000 . 1 . . . . A 45 SER N . 30738 1 392 . 1 . 1 46 46 THR H H 1 7.5929 0.0000 . 1 . . . . A 46 THR H . 30738 1 393 . 1 . 1 46 46 THR HA H 1 4.6330 0.0000 . 1 . . . . A 46 THR HA . 30738 1 394 . 1 . 1 46 46 THR HB H 1 4.5231 0.0000 . 1 . . . . A 46 THR HB . 30738 1 395 . 1 . 1 46 46 THR HG21 H 1 1.1795 0.0000 . 1 . . . . A 46 THR HG21 . 30738 1 396 . 1 . 1 46 46 THR HG22 H 1 1.1795 0.0000 . 1 . . . . A 46 THR HG22 . 30738 1 397 . 1 . 1 46 46 THR HG23 H 1 1.1795 0.0000 . 1 . . . . A 46 THR HG23 . 30738 1 398 . 1 . 1 46 46 THR C C 13 171.7893 0.0000 . 1 . . . . A 46 THR C . 30738 1 399 . 1 . 1 46 46 THR CA C 13 61.2088 0.0000 . 1 . . . . A 46 THR CA . 30738 1 400 . 1 . 1 46 46 THR CB C 13 70.3005 0.0000 . 1 . . . . A 46 THR CB . 30738 1 401 . 1 . 1 46 46 THR CG2 C 13 22.3895 0.0000 . 1 . . . . A 46 THR CG2 . 30738 1 402 . 1 . 1 46 46 THR N N 15 106.5126 0.0000 . 1 . . . . A 46 THR N . 30738 1 403 . 1 . 1 47 47 GLY H H 1 7.5754 0.0000 . 1 . . . . A 47 GLY H . 30738 1 404 . 1 . 1 47 47 GLY HA2 H 1 4.0914 0.0000 . 2 . . . . A 47 GLY HA2 . 30738 1 405 . 1 . 1 47 47 GLY HA3 H 1 3.8702 0.0000 . 2 . . . . A 47 GLY HA3 . 30738 1 406 . 1 . 1 47 47 GLY C C 13 171.7508 0.0000 . 1 . . . . A 47 GLY C . 30738 1 407 . 1 . 1 47 47 GLY CA C 13 46.9143 0.0000 . 1 . . . . A 47 GLY CA . 30738 1 408 . 1 . 1 47 47 GLY N N 15 109.2609 0.0000 . 1 . . . . A 47 GLY N . 30738 1 409 . 1 . 1 48 48 ARG H H 1 8.2613 0.0000 . 1 . . . . A 48 ARG H . 30738 1 410 . 1 . 1 48 48 ARG HA H 1 4.3223 0.0000 . 1 . . . . A 48 ARG HA . 30738 1 411 . 1 . 1 48 48 ARG HB2 H 1 1.7480 0.0000 . 2 . . . . A 48 ARG HB2 . 30738 1 412 . 1 . 1 48 48 ARG HB3 H 1 1.2896 0.0000 . 2 . . . . A 48 ARG HB3 . 30738 1 413 . 1 . 1 48 48 ARG HG2 H 1 1.7119 0.0000 . 2 . . . . A 48 ARG HG2 . 30738 1 414 . 1 . 1 48 48 ARG HD2 H 1 3.2083 0.0000 . 2 . . . . A 48 ARG HD2 . 30738 1 415 . 1 . 1 48 48 ARG C C 13 173.1959 0.0000 . 1 . . . . A 48 ARG C . 30738 1 416 . 1 . 1 48 48 ARG CA C 13 55.4683 0.0000 . 1 . . . . A 48 ARG CA . 30738 1 417 . 1 . 1 48 48 ARG CB C 13 32.7179 0.0000 . 1 . . . . A 48 ARG CB . 30738 1 418 . 1 . 1 48 48 ARG CG C 13 26.9811 0.0000 . 1 . . . . A 48 ARG CG . 30738 1 419 . 1 . 1 48 48 ARG CD C 13 44.5616 0.0000 . 1 . . . . A 48 ARG CD . 30738 1 420 . 1 . 1 48 48 ARG N N 15 120.6419 0.0000 . 1 . . . . A 48 ARG N . 30738 1 421 . 1 . 1 49 49 GLU H H 1 8.7164 0.0000 . 1 . . . . A 49 GLU H . 30738 1 422 . 1 . 1 49 49 GLU HA H 1 4.3835 0.0000 . 1 . . . . A 49 GLU HA . 30738 1 423 . 1 . 1 49 49 GLU HB2 H 1 1.8906 0.0000 . 2 . . . . A 49 GLU HB2 . 30738 1 424 . 1 . 1 49 49 GLU HG2 H 1 2.3505 0.0000 . 2 . . . . A 49 GLU HG2 . 30738 1 425 . 1 . 1 49 49 GLU C C 13 173.9894 0.0000 . 1 . . . . A 49 GLU C . 30738 1 426 . 1 . 1 49 49 GLU CA C 13 55.5194 0.0000 . 1 . . . . A 49 GLU CA . 30738 1 427 . 1 . 1 49 49 GLU CB C 13 30.0935 0.0000 . 1 . . . . A 49 GLU CB . 30738 1 428 . 1 . 1 49 49 GLU CG C 13 38.1705 0.0000 . 1 . . . . A 49 GLU CG . 30738 1 429 . 1 . 1 49 49 GLU N N 15 122.5299 0.0000 . 1 . . . . A 49 GLU N . 30738 1 430 . 1 . 1 50 50 PRO HA H 1 4.0079 0.0000 . 1 . . . . A 50 PRO HA . 30738 1 431 . 1 . 1 50 50 PRO HB2 H 1 1.9527 0.0000 . 2 . . . . A 50 PRO HB2 . 30738 1 432 . 1 . 1 50 50 PRO HG2 H 1 2.0554 0.0000 . 2 . . . . A 50 PRO HG2 . 30738 1 433 . 1 . 1 50 50 PRO HD2 H 1 3.8116 0.0000 . 2 . . . . A 50 PRO HD2 . 30738 1 434 . 1 . 1 50 50 PRO HD3 H 1 3.5811 0.0000 . 2 . . . . A 50 PRO HD3 . 30738 1 435 . 1 . 1 50 50 PRO C C 13 175.3821 0.0000 . 1 . . . . A 50 PRO C . 30738 1 436 . 1 . 1 50 50 PRO CA C 13 66.4275 0.0000 . 1 . . . . A 50 PRO CA . 30738 1 437 . 1 . 1 50 50 PRO CB C 13 32.7665 0.0000 . 1 . . . . A 50 PRO CB . 30738 1 438 . 1 . 1 50 50 PRO CG C 13 28.5987 0.0000 . 1 . . . . A 50 PRO CG . 30738 1 439 . 1 . 1 50 50 PRO CD C 13 51.0829 0.0000 . 1 . . . . A 50 PRO CD . 30738 1 440 . 1 . 1 51 51 GLY H H 1 8.3743 0.0000 . 1 . . . . A 51 GLY H . 30738 1 441 . 1 . 1 51 51 GLY HA2 H 1 4.0609 0.0000 . 2 . . . . A 51 GLY HA2 . 30738 1 442 . 1 . 1 51 51 GLY HA3 H 1 3.5341 0.0000 . 2 . . . . A 51 GLY HA3 . 30738 1 443 . 1 . 1 51 51 GLY C C 13 171.1129 0.0000 . 1 . . . . A 51 GLY C . 30738 1 444 . 1 . 1 51 51 GLY CA C 13 45.5733 0.0000 . 1 . . . . A 51 GLY CA . 30738 1 445 . 1 . 1 51 51 GLY N N 15 102.4026 0.0000 . 1 . . . . A 51 GLY N . 30738 1 446 . 1 . 1 52 52 ASP H H 1 7.2584 0.0000 . 1 . . . . A 52 ASP H . 30738 1 447 . 1 . 1 52 52 ASP HA H 1 4.4233 0.0000 . 1 . . . . A 52 ASP HA . 30738 1 448 . 1 . 1 52 52 ASP HB2 H 1 2.6455 0.0000 . 2 . . . . A 52 ASP HB2 . 30738 1 449 . 1 . 1 52 52 ASP C C 13 173.0358 0.0000 . 1 . . . . A 52 ASP C . 30738 1 450 . 1 . 1 52 52 ASP CA C 13 55.2461 0.0000 . 1 . . . . A 52 ASP CA . 30738 1 451 . 1 . 1 52 52 ASP CB C 13 41.6396 0.0000 . 1 . . . . A 52 ASP CB . 30738 1 452 . 1 . 1 52 52 ASP N N 15 120.8961 0.0000 . 1 . . . . A 52 ASP N . 30738 1 453 . 1 . 1 53 53 ILE H H 1 8.2935 0.0000 . 1 . . . . A 53 ILE H . 30738 1 454 . 1 . 1 53 53 ILE HA H 1 4.6110 0.0000 . 1 . . . . A 53 ILE HA . 30738 1 455 . 1 . 1 53 53 ILE HB H 1 1.9730 0.0000 . 1 . . . . A 53 ILE HB . 30738 1 456 . 1 . 1 53 53 ILE HG12 H 1 1.4070 0.0000 . 2 . . . . A 53 ILE HG12 . 30738 1 457 . 1 . 1 53 53 ILE HG21 H 1 0.9477 0.0000 . 1 . . . . A 53 ILE HG21 . 30738 1 458 . 1 . 1 53 53 ILE HG22 H 1 0.9477 0.0000 . 1 . . . . A 53 ILE HG22 . 30738 1 459 . 1 . 1 53 53 ILE HG23 H 1 0.9477 0.0000 . 1 . . . . A 53 ILE HG23 . 30738 1 460 . 1 . 1 53 53 ILE HD11 H 1 0.6910 0.0000 . 1 . . . . A 53 ILE HD11 . 30738 1 461 . 1 . 1 53 53 ILE HD12 H 1 0.6910 0.0000 . 1 . . . . A 53 ILE HD12 . 30738 1 462 . 1 . 1 53 53 ILE HD13 H 1 0.6910 0.0000 . 1 . . . . A 53 ILE HD13 . 30738 1 463 . 1 . 1 53 53 ILE C C 13 171.7300 0.0000 . 1 . . . . A 53 ILE C . 30738 1 464 . 1 . 1 53 53 ILE CA C 13 57.4486 0.0000 . 1 . . . . A 53 ILE CA . 30738 1 465 . 1 . 1 53 53 ILE CB C 13 39.3327 0.0000 . 1 . . . . A 53 ILE CB . 30738 1 466 . 1 . 1 53 53 ILE CG1 C 13 27.3729 0.0000 . 1 . . . . A 53 ILE CG1 . 30738 1 467 . 1 . 1 53 53 ILE CG2 C 13 18.0507 0.0000 . 1 . . . . A 53 ILE CG2 . 30738 1 468 . 1 . 1 53 53 ILE CD1 C 13 11.7807 0.0000 . 1 . . . . A 53 ILE CD1 . 30738 1 469 . 1 . 1 53 53 ILE N N 15 127.7069 0.0000 . 1 . . . . A 53 ILE N . 30738 1 470 . 1 . 1 54 54 PRO HA H 1 4.2827 0.0000 . 1 . . . . A 54 PRO HA . 30738 1 471 . 1 . 1 54 54 PRO HB2 H 1 2.0996 0.0000 . 2 . . . . A 54 PRO HB2 . 30738 1 472 . 1 . 1 54 54 PRO HG2 H 1 2.0402 0.0000 . 2 . . . . A 54 PRO HG2 . 30738 1 473 . 1 . 1 54 54 PRO HD2 H 1 3.7975 0.0000 . 2 . . . . A 54 PRO HD2 . 30738 1 474 . 1 . 1 54 54 PRO HD3 H 1 3.6604 0.0000 . 2 . . . . A 54 PRO HD3 . 30738 1 475 . 1 . 1 54 54 PRO C C 13 172.3932 0.0000 . 1 . . . . A 54 PRO C . 30738 1 476 . 1 . 1 54 54 PRO CA C 13 63.6119 0.0000 . 1 . . . . A 54 PRO CA . 30738 1 477 . 1 . 1 54 54 PRO CB C 13 32.3039 0.0000 . 1 . . . . A 54 PRO CB . 30738 1 478 . 1 . 1 54 54 PRO CG C 13 28.4865 0.0000 . 1 . . . . A 54 PRO CG . 30738 1 479 . 1 . 1 54 54 PRO CD C 13 51.0998 0.0000 . 1 . . . . A 54 PRO CD . 30738 1 480 . 1 . 1 55 55 GLU H H 1 8.6392 0.0000 . 1 . . . . A 55 GLU H . 30738 1 481 . 1 . 1 55 55 GLU HA H 1 4.5274 0.0000 . 1 . . . . A 55 GLU HA . 30738 1 482 . 1 . 1 55 55 GLU HB2 H 1 2.1650 0.0000 . 2 . . . . A 55 GLU HB2 . 30738 1 483 . 1 . 1 55 55 GLU HG2 H 1 2.4449 0.0000 . 2 . . . . A 55 GLU HG2 . 30738 1 484 . 1 . 1 55 55 GLU C C 13 173.9239 0.0000 . 1 . . . . A 55 GLU C . 30738 1 485 . 1 . 1 55 55 GLU CA C 13 57.6931 0.0000 . 1 . . . . A 55 GLU CA . 30738 1 486 . 1 . 1 55 55 GLU CB C 13 32.9763 0.0000 . 1 . . . . A 55 GLU CB . 30738 1 487 . 1 . 1 55 55 GLU CG C 13 37.7881 0.0000 . 1 . . . . A 55 GLU CG . 30738 1 488 . 1 . 1 55 55 GLU N N 15 117.2341 0.0000 . 1 . . . . A 55 GLU N . 30738 1 489 . 1 . 1 56 56 THR H H 1 7.3829 0.0000 . 1 . . . . A 56 THR H . 30738 1 490 . 1 . 1 56 56 THR HA H 1 4.5240 0.0000 . 1 . . . . A 56 THR HA . 30738 1 491 . 1 . 1 56 56 THR HB H 1 2.5748 0.0000 . 1 . . . . A 56 THR HB . 30738 1 492 . 1 . 1 56 56 THR HG21 H 1 1.2681 0.0000 . 1 . . . . A 56 THR HG21 . 30738 1 493 . 1 . 1 56 56 THR HG22 H 1 1.2681 0.0000 . 1 . . . . A 56 THR HG22 . 30738 1 494 . 1 . 1 56 56 THR HG23 H 1 1.2681 0.0000 . 1 . . . . A 56 THR HG23 . 30738 1 495 . 1 . 1 56 56 THR C C 13 171.8773 0.0000 . 1 . . . . A 56 THR C . 30738 1 496 . 1 . 1 56 56 THR CA C 13 57.1802 0.0000 . 1 . . . . A 56 THR CA . 30738 1 497 . 1 . 1 56 56 THR CB C 13 73.9018 0.0000 . 1 . . . . A 56 THR CB . 30738 1 498 . 1 . 1 56 56 THR CG2 C 13 22.4781 0.0000 . 1 . . . . A 56 THR CG2 . 30738 1 499 . 1 . 1 56 56 THR N N 15 104.7669 0.0000 . 1 . . . . A 56 THR N . 30738 1 500 . 1 . 1 57 57 LEU HA H 1 4.2796 0.0000 . 1 . . . . A 57 LEU HA . 30738 1 501 . 1 . 1 57 57 LEU HB2 H 1 2.6156 0.0000 . 2 . . . . A 57 LEU HB2 . 30738 1 502 . 1 . 1 57 57 LEU HG H 1 1.9655 0.0000 . 1 . . . . A 57 LEU HG . 30738 1 503 . 1 . 1 57 57 LEU HD11 H 1 0.9702 0.0000 . 2 . . . . A 57 LEU HD11 . 30738 1 504 . 1 . 1 57 57 LEU HD12 H 1 0.9702 0.0000 . 2 . . . . A 57 LEU HD12 . 30738 1 505 . 1 . 1 57 57 LEU HD13 H 1 0.9702 0.0000 . 2 . . . . A 57 LEU HD13 . 30738 1 506 . 1 . 1 57 57 LEU C C 13 175.4460 0.0000 . 1 . . . . A 57 LEU C . 30738 1 507 . 1 . 1 57 57 LEU CA C 13 59.4071 0.0000 . 1 . . . . A 57 LEU CA . 30738 1 508 . 1 . 1 57 57 LEU CB C 13 41.3109 0.0000 . 1 . . . . A 57 LEU CB . 30738 1 509 . 1 . 1 57 57 LEU CG C 13 29.2599 0.0000 . 1 . . . . A 57 LEU CG . 30738 1 510 . 1 . 1 57 57 LEU CD1 C 13 25.8864 0.0000 . 2 . . . . A 57 LEU CD1 . 30738 1 511 . 1 . 1 58 58 ASP H H 1 8.6092 0.0000 . 1 . . . . A 58 ASP H . 30738 1 512 . 1 . 1 58 58 ASP HA H 1 4.3478 0.0000 . 1 . . . . A 58 ASP HA . 30738 1 513 . 1 . 1 58 58 ASP HB2 H 1 2.7048 0.0000 . 2 . . . . A 58 ASP HB2 . 30738 1 514 . 1 . 1 58 58 ASP C C 13 175.6372 0.0000 . 1 . . . . A 58 ASP C . 30738 1 515 . 1 . 1 58 58 ASP CA C 13 59.0527 0.0000 . 1 . . . . A 58 ASP CA . 30738 1 516 . 1 . 1 58 58 ASP CB C 13 41.2068 0.0000 . 1 . . . . A 58 ASP CB . 30738 1 517 . 1 . 1 58 58 ASP N N 15 118.7658 0.0000 . 1 . . . . A 58 ASP N . 30738 1 518 . 1 . 1 59 59 GLN H H 1 7.8453 0.0000 . 1 . . . . A 59 GLN H . 30738 1 519 . 1 . 1 59 59 GLN HA H 1 4.0712 0.0000 . 1 . . . . A 59 GLN HA . 30738 1 520 . 1 . 1 59 59 GLN HB2 H 1 2.2454 0.0000 . 2 . . . . A 59 GLN HB2 . 30738 1 521 . 1 . 1 59 59 GLN HG2 H 1 2.4505 0.0000 . 2 . . . . A 59 GLN HG2 . 30738 1 522 . 1 . 1 59 59 GLN HE21 H 1 7.2317 0.0000 . 2 . . . . A 59 GLN HE21 . 30738 1 523 . 1 . 1 59 59 GLN HE22 H 1 7.4905 0.0000 . 2 . . . . A 59 GLN HE22 . 30738 1 524 . 1 . 1 59 59 GLN C C 13 176.6331 0.0000 . 1 . . . . A 59 GLN C . 30738 1 525 . 1 . 1 59 59 GLN CA C 13 59.5674 0.0000 . 1 . . . . A 59 GLN CA . 30738 1 526 . 1 . 1 59 59 GLN CB C 13 30.0396 0.0000 . 1 . . . . A 59 GLN CB . 30738 1 527 . 1 . 1 59 59 GLN CG C 13 34.7652 0.0000 . 1 . . . . A 59 GLN CG . 30738 1 528 . 1 . 1 59 59 GLN N N 15 117.5157 0.0000 . 1 . . . . A 59 GLN N . 30738 1 529 . 1 . 1 59 59 GLN NE2 N 15 111.6403 0.0000 . 1 . . . . A 59 GLN NE2 . 30738 1 530 . 1 . 1 60 60 LEU H H 1 8.2097 0.0000 . 1 . . . . A 60 LEU H . 30738 1 531 . 1 . 1 60 60 LEU HA H 1 4.1076 0.0000 . 1 . . . . A 60 LEU HA . 30738 1 532 . 1 . 1 60 60 LEU HB2 H 1 2.0091 0.0000 . 2 . . . . A 60 LEU HB2 . 30738 1 533 . 1 . 1 60 60 LEU HB3 H 1 1.5267 0.0000 . 2 . . . . A 60 LEU HB3 . 30738 1 534 . 1 . 1 60 60 LEU HG H 1 0.7878 0.0000 . 1 . . . . A 60 LEU HG . 30738 1 535 . 1 . 1 60 60 LEU HD11 H 1 1.0170 0.0000 . 2 . . . . A 60 LEU HD11 . 30738 1 536 . 1 . 1 60 60 LEU HD12 H 1 1.0170 0.0000 . 2 . . . . A 60 LEU HD12 . 30738 1 537 . 1 . 1 60 60 LEU HD13 H 1 1.0170 0.0000 . 2 . . . . A 60 LEU HD13 . 30738 1 538 . 1 . 1 60 60 LEU HD21 H 1 0.6153 0.0000 . 2 . . . . A 60 LEU HD21 . 30738 1 539 . 1 . 1 60 60 LEU HD22 H 1 0.6153 0.0000 . 2 . . . . A 60 LEU HD22 . 30738 1 540 . 1 . 1 60 60 LEU HD23 H 1 0.6153 0.0000 . 2 . . . . A 60 LEU HD23 . 30738 1 541 . 1 . 1 60 60 LEU C C 13 175.1337 0.0000 . 1 . . . . A 60 LEU C . 30738 1 542 . 1 . 1 60 60 LEU CA C 13 57.6164 0.0000 . 1 . . . . A 60 LEU CA . 30738 1 543 . 1 . 1 60 60 LEU CB C 13 42.0887 0.0000 . 1 . . . . A 60 LEU CB . 30738 1 544 . 1 . 1 60 60 LEU CG C 13 26.4418 0.0000 . 1 . . . . A 60 LEU CG . 30738 1 545 . 1 . 1 60 60 LEU CD1 C 13 24.3266 0.0000 . 2 . . . . A 60 LEU CD1 . 30738 1 546 . 1 . 1 60 60 LEU CD2 C 13 22.8536 0.0000 . 2 . . . . A 60 LEU CD2 . 30738 1 547 . 1 . 1 60 60 LEU N N 15 121.8077 0.0000 . 1 . . . . A 60 LEU N . 30738 1 548 . 1 . 1 61 61 ARG H H 1 9.1526 0.0000 . 1 . . . . A 61 ARG H . 30738 1 549 . 1 . 1 61 61 ARG HA H 1 4.1285 0.0000 . 1 . . . . A 61 ARG HA . 30738 1 550 . 1 . 1 61 61 ARG HB2 H 1 2.0180 0.0000 . 2 . . . . A 61 ARG HB2 . 30738 1 551 . 1 . 1 61 61 ARG HG2 H 1 1.5633 0.0000 . 2 . . . . A 61 ARG HG2 . 30738 1 552 . 1 . 1 61 61 ARG HD2 H 1 3.2141 0.0000 . 2 . . . . A 61 ARG HD2 . 30738 1 553 . 1 . 1 61 61 ARG C C 13 176.4367 0.0000 . 1 . . . . A 61 ARG C . 30738 1 554 . 1 . 1 61 61 ARG CA C 13 59.9453 0.0000 . 1 . . . . A 61 ARG CA . 30738 1 555 . 1 . 1 61 61 ARG CB C 13 32.2680 0.0000 . 1 . . . . A 61 ARG CB . 30738 1 556 . 1 . 1 61 61 ARG CG C 13 26.2606 0.0000 . 1 . . . . A 61 ARG CG . 30738 1 557 . 1 . 1 61 61 ARG CD C 13 44.0654 0.0000 . 1 . . . . A 61 ARG CD . 30738 1 558 . 1 . 1 61 61 ARG N N 15 118.1981 0.0000 . 1 . . . . A 61 ARG N . 30738 1 559 . 1 . 1 62 62 LEU H H 1 7.7897 0.0000 . 1 . . . . A 62 LEU H . 30738 1 560 . 1 . 1 62 62 LEU HA H 1 4.0222 0.0000 . 1 . . . . A 62 LEU HA . 30738 1 561 . 1 . 1 62 62 LEU HB2 H 1 1.9567 0.0000 . 2 . . . . A 62 LEU HB2 . 30738 1 562 . 1 . 1 62 62 LEU HB3 H 1 1.5841 0.0000 . 2 . . . . A 62 LEU HB3 . 30738 1 563 . 1 . 1 62 62 LEU HG H 1 1.7744 0.0000 . 1 . . . . A 62 LEU HG . 30738 1 564 . 1 . 1 62 62 LEU HD11 H 1 0.9340 0.0000 . 2 . . . . A 62 LEU HD11 . 30738 1 565 . 1 . 1 62 62 LEU HD12 H 1 0.9340 0.0000 . 2 . . . . A 62 LEU HD12 . 30738 1 566 . 1 . 1 62 62 LEU HD13 H 1 0.9340 0.0000 . 2 . . . . A 62 LEU HD13 . 30738 1 567 . 1 . 1 62 62 LEU C C 13 175.3543 0.0000 . 1 . . . . A 62 LEU C . 30738 1 568 . 1 . 1 62 62 LEU CA C 13 59.8235 0.0000 . 1 . . . . A 62 LEU CA . 30738 1 569 . 1 . 1 62 62 LEU CB C 13 42.0872 0.0000 . 1 . . . . A 62 LEU CB . 30738 1 570 . 1 . 1 62 62 LEU CG C 13 27.1930 0.0000 . 1 . . . . A 62 LEU CG . 30738 1 571 . 1 . 1 62 62 LEU CD1 C 13 25.7572 0.0000 . 2 . . . . A 62 LEU CD1 . 30738 1 572 . 1 . 1 62 62 LEU N N 15 119.0092 0.0000 . 1 . . . . A 62 LEU N . 30738 1 573 . 1 . 1 63 63 VAL H H 1 7.4249 0.0000 . 1 . . . . A 63 VAL H . 30738 1 574 . 1 . 1 63 63 VAL HA H 1 3.6099 0.0000 . 1 . . . . A 63 VAL HA . 30738 1 575 . 1 . 1 63 63 VAL HB H 1 2.3164 0.0000 . 1 . . . . A 63 VAL HB . 30738 1 576 . 1 . 1 63 63 VAL HG11 H 1 1.1787 0.0000 . 2 . . . . A 63 VAL HG11 . 30738 1 577 . 1 . 1 63 63 VAL HG12 H 1 1.1787 0.0000 . 2 . . . . A 63 VAL HG12 . 30738 1 578 . 1 . 1 63 63 VAL HG13 H 1 1.1787 0.0000 . 2 . . . . A 63 VAL HG13 . 30738 1 579 . 1 . 1 63 63 VAL HG21 H 1 0.8038 0.0000 . 2 . . . . A 63 VAL HG21 . 30738 1 580 . 1 . 1 63 63 VAL HG22 H 1 0.8038 0.0000 . 2 . . . . A 63 VAL HG22 . 30738 1 581 . 1 . 1 63 63 VAL HG23 H 1 0.8038 0.0000 . 2 . . . . A 63 VAL HG23 . 30738 1 582 . 1 . 1 63 63 VAL C C 13 175.1427 0.0000 . 1 . . . . A 63 VAL C . 30738 1 583 . 1 . 1 63 63 VAL CA C 13 66.9324 0.0000 . 1 . . . . A 63 VAL CA . 30738 1 584 . 1 . 1 63 63 VAL CB C 13 32.4692 0.0000 . 1 . . . . A 63 VAL CB . 30738 1 585 . 1 . 1 63 63 VAL CG1 C 13 22.9169 0.0000 . 2 . . . . A 63 VAL CG1 . 30738 1 586 . 1 . 1 63 63 VAL CG2 C 13 22.6758 0.0000 . 2 . . . . A 63 VAL CG2 . 30738 1 587 . 1 . 1 63 63 VAL N N 15 119.0664 0.0000 . 1 . . . . A 63 VAL N . 30738 1 588 . 1 . 1 64 64 ILE H H 1 8.2171 0.0000 . 1 . . . . A 64 ILE H . 30738 1 589 . 1 . 1 64 64 ILE HA H 1 4.1182 0.0000 . 1 . . . . A 64 ILE HA . 30738 1 590 . 1 . 1 64 64 ILE HB H 1 2.3484 0.0000 . 1 . . . . A 64 ILE HB . 30738 1 591 . 1 . 1 64 64 ILE HG12 H 1 0.9180 0.0000 . 2 . . . . A 64 ILE HG12 . 30738 1 592 . 1 . 1 64 64 ILE HG13 H 1 0.8792 0.0000 . 2 . . . . A 64 ILE HG13 . 30738 1 593 . 1 . 1 64 64 ILE HD11 H 1 0.9295 0.0000 . 1 . . . . A 64 ILE HD11 . 30738 1 594 . 1 . 1 64 64 ILE HD12 H 1 0.9295 0.0000 . 1 . . . . A 64 ILE HD12 . 30738 1 595 . 1 . 1 64 64 ILE HD13 H 1 0.9295 0.0000 . 1 . . . . A 64 ILE HD13 . 30738 1 596 . 1 . 1 64 64 ILE C C 13 175.4891 0.0000 . 1 . . . . A 64 ILE C . 30738 1 597 . 1 . 1 64 64 ILE CA C 13 67.3866 0.0000 . 1 . . . . A 64 ILE CA . 30738 1 598 . 1 . 1 64 64 ILE CB C 13 37.5417 0.0000 . 1 . . . . A 64 ILE CB . 30738 1 599 . 1 . 1 64 64 ILE CG1 C 13 18.4852 0.0000 . 1 . . . . A 64 ILE CG1 . 30738 1 600 . 1 . 1 64 64 ILE CD1 C 13 14.4674 0.0000 . 1 . . . . A 64 ILE CD1 . 30738 1 601 . 1 . 1 64 64 ILE N N 15 119.4651 0.0000 . 1 . . . . A 64 ILE N . 30738 1 602 . 1 . 1 65 65 CYS H H 1 9.0564 0.0000 . 1 . . . . A 65 CYS H . 30738 1 603 . 1 . 1 65 65 CYS HA H 1 4.3544 0.0000 . 1 . . . . A 65 CYS HA . 30738 1 604 . 1 . 1 65 65 CYS HB2 H 1 3.0676 0.0000 . 2 . . . . A 65 CYS HB2 . 30738 1 605 . 1 . 1 65 65 CYS HB3 H 1 3.1756 0.0000 . 2 . . . . A 65 CYS HB3 . 30738 1 606 . 1 . 1 65 65 CYS C C 13 174.8516 0.0000 . 1 . . . . A 65 CYS C . 30738 1 607 . 1 . 1 65 65 CYS CA C 13 64.2970 0.0000 . 1 . . . . A 65 CYS CA . 30738 1 608 . 1 . 1 65 65 CYS CB C 13 27.0368 0.0000 . 1 . . . . A 65 CYS CB . 30738 1 609 . 1 . 1 65 65 CYS N N 15 118.7421 0.0000 . 1 . . . . A 65 CYS N . 30738 1 610 . 1 . 1 66 66 ASP H H 1 8.5383 0.0000 . 1 . . . . A 66 ASP H . 30738 1 611 . 1 . 1 66 66 ASP HA H 1 4.3999 0.0000 . 1 . . . . A 66 ASP HA . 30738 1 612 . 1 . 1 66 66 ASP HB2 H 1 2.7940 0.0000 . 2 . . . . A 66 ASP HB2 . 30738 1 613 . 1 . 1 66 66 ASP HB3 H 1 2.7212 0.0000 . 2 . . . . A 66 ASP HB3 . 30738 1 614 . 1 . 1 66 66 ASP C C 13 176.6180 0.0000 . 1 . . . . A 66 ASP C . 30738 1 615 . 1 . 1 66 66 ASP CA C 13 58.5137 0.0000 . 1 . . . . A 66 ASP CA . 30738 1 616 . 1 . 1 66 66 ASP CB C 13 40.9924 0.0000 . 1 . . . . A 66 ASP CB . 30738 1 617 . 1 . 1 66 66 ASP N N 15 120.9268 0.0000 . 1 . . . . A 66 ASP N . 30738 1 618 . 1 . 1 67 67 LEU H H 1 8.6009 0.0000 . 1 . . . . A 67 LEU H . 30738 1 619 . 1 . 1 67 67 LEU HA H 1 4.0358 0.0000 . 1 . . . . A 67 LEU HA . 30738 1 620 . 1 . 1 67 67 LEU HB2 H 1 1.7641 0.0000 . 2 . . . . A 67 LEU HB2 . 30738 1 621 . 1 . 1 67 67 LEU HB3 H 1 1.7855 0.0000 . 2 . . . . A 67 LEU HB3 . 30738 1 622 . 1 . 1 67 67 LEU HG H 1 0.9146 0.0000 . 1 . . . . A 67 LEU HG . 30738 1 623 . 1 . 1 67 67 LEU HD11 H 1 1.1182 0.0000 . 2 . . . . A 67 LEU HD11 . 30738 1 624 . 1 . 1 67 67 LEU HD12 H 1 1.1182 0.0000 . 2 . . . . A 67 LEU HD12 . 30738 1 625 . 1 . 1 67 67 LEU HD13 H 1 1.1182 0.0000 . 2 . . . . A 67 LEU HD13 . 30738 1 626 . 1 . 1 67 67 LEU HD21 H 1 0.5477 0.0000 . 2 . . . . A 67 LEU HD21 . 30738 1 627 . 1 . 1 67 67 LEU HD22 H 1 0.5477 0.0000 . 2 . . . . A 67 LEU HD22 . 30738 1 628 . 1 . 1 67 67 LEU HD23 H 1 0.5477 0.0000 . 2 . . . . A 67 LEU HD23 . 30738 1 629 . 1 . 1 67 67 LEU C C 13 175.8324 0.0000 . 1 . . . . A 67 LEU C . 30738 1 630 . 1 . 1 67 67 LEU CA C 13 58.1050 0.0000 . 1 . . . . A 67 LEU CA . 30738 1 631 . 1 . 1 67 67 LEU CB C 13 42.7966 0.0000 . 1 . . . . A 67 LEU CB . 30738 1 632 . 1 . 1 67 67 LEU CG C 13 26.0964 0.0000 . 1 . . . . A 67 LEU CG . 30738 1 633 . 1 . 1 67 67 LEU CD1 C 13 22.2714 0.0000 . 2 . . . . A 67 LEU CD1 . 30738 1 634 . 1 . 1 67 67 LEU CD2 C 13 22.5934 0.0000 . 2 . . . . A 67 LEU CD2 . 30738 1 635 . 1 . 1 67 67 LEU N N 15 122.6452 0.0000 . 1 . . . . A 67 LEU N . 30738 1 636 . 1 . 1 68 68 GLN H H 1 8.9866 0.0000 . 1 . . . . A 68 GLN H . 30738 1 637 . 1 . 1 68 68 GLN HA H 1 4.0118 0.0000 . 1 . . . . A 68 GLN HA . 30738 1 638 . 1 . 1 68 68 GLN HB2 H 1 2.3462 0.0000 . 2 . . . . A 68 GLN HB2 . 30738 1 639 . 1 . 1 68 68 GLN HB3 H 1 1.7678 0.0000 . 2 . . . . A 68 GLN HB3 . 30738 1 640 . 1 . 1 68 68 GLN HG2 H 1 2.7664 0.0000 . 2 . . . . A 68 GLN HG2 . 30738 1 641 . 1 . 1 68 68 GLN HG3 H 1 2.3752 0.0000 . 2 . . . . A 68 GLN HG3 . 30738 1 642 . 1 . 1 68 68 GLN HE21 H 1 7.6437 0.0000 . 2 . . . . A 68 GLN HE21 . 30738 1 643 . 1 . 1 68 68 GLN HE22 H 1 7.6013 0.0000 . 2 . . . . A 68 GLN HE22 . 30738 1 644 . 1 . 1 68 68 GLN C C 13 176.0183 0.0000 . 1 . . . . A 68 GLN C . 30738 1 645 . 1 . 1 68 68 GLN CA C 13 61.1319 0.0000 . 1 . . . . A 68 GLN CA . 30738 1 646 . 1 . 1 68 68 GLN CB C 13 28.8145 0.0000 . 1 . . . . A 68 GLN CB . 30738 1 647 . 1 . 1 68 68 GLN CG C 13 36.4908 0.0000 . 1 . . . . A 68 GLN CG . 30738 1 648 . 1 . 1 68 68 GLN N N 15 119.4960 0.0000 . 1 . . . . A 68 GLN N . 30738 1 649 . 1 . 1 68 68 GLN NE2 N 15 111.5078 0.0000 . 1 . . . . A 68 GLN NE2 . 30738 1 650 . 1 . 1 69 69 GLU H H 1 8.4683 0.0000 . 1 . . . . A 69 GLU H . 30738 1 651 . 1 . 1 69 69 GLU HA H 1 4.1956 0.0000 . 1 . . . . A 69 GLU HA . 30738 1 652 . 1 . 1 69 69 GLU HB2 H 1 2.1809 0.0000 . 2 . . . . A 69 GLU HB2 . 30738 1 653 . 1 . 1 69 69 GLU HG2 H 1 2.3794 0.0000 . 2 . . . . A 69 GLU HG2 . 30738 1 654 . 1 . 1 69 69 GLU C C 13 176.3475 0.0000 . 1 . . . . A 69 GLU C . 30738 1 655 . 1 . 1 69 69 GLU CA C 13 61.0395 0.0000 . 1 . . . . A 69 GLU CA . 30738 1 656 . 1 . 1 69 69 GLU CB C 13 30.0537 0.0000 . 1 . . . . A 69 GLU CB . 30738 1 657 . 1 . 1 69 69 GLU CG C 13 37.3077 0.0000 . 1 . . . . A 69 GLU CG . 30738 1 658 . 1 . 1 69 69 GLU N N 15 120.3747 0.0000 . 1 . . . . A 69 GLU N . 30738 1 659 . 1 . 1 70 70 ARG H H 1 7.9277 0.0000 . 1 . . . . A 70 ARG H . 30738 1 660 . 1 . 1 70 70 ARG HA H 1 4.2522 0.0000 . 1 . . . . A 70 ARG HA . 30738 1 661 . 1 . 1 70 70 ARG HB2 H 1 2.1460 0.0000 . 2 . . . . A 70 ARG HB2 . 30738 1 662 . 1 . 1 70 70 ARG HG2 H 1 1.7835 0.0000 . 2 . . . . A 70 ARG HG2 . 30738 1 663 . 1 . 1 70 70 ARG HD2 H 1 3.2086 0.0000 . 2 . . . . A 70 ARG HD2 . 30738 1 664 . 1 . 1 70 70 ARG C C 13 175.7275 0.0000 . 1 . . . . A 70 ARG C . 30738 1 665 . 1 . 1 70 70 ARG CA C 13 59.2265 0.0000 . 1 . . . . A 70 ARG CA . 30738 1 666 . 1 . 1 70 70 ARG CB C 13 29.6985 0.0000 . 1 . . . . A 70 ARG CB . 30738 1 667 . 1 . 1 70 70 ARG CG C 13 27.5106 0.0000 . 1 . . . . A 70 ARG CG . 30738 1 668 . 1 . 1 70 70 ARG CD C 13 44.4791 0.0000 . 1 . . . . A 70 ARG CD . 30738 1 669 . 1 . 1 70 70 ARG N N 15 119.5471 0.0000 . 1 . . . . A 70 ARG N . 30738 1 670 . 1 . 1 71 71 ARG H H 1 8.2505 0.0000 . 1 . . . . A 71 ARG H . 30738 1 671 . 1 . 1 71 71 ARG HA H 1 4.1833 0.0000 . 1 . . . . A 71 ARG HA . 30738 1 672 . 1 . 1 71 71 ARG HB2 H 1 2.0771 0.0000 . 2 . . . . A 71 ARG HB2 . 30738 1 673 . 1 . 1 71 71 ARG HB3 H 1 1.7628 0.0000 . 2 . . . . A 71 ARG HB3 . 30738 1 674 . 1 . 1 71 71 ARG HG2 H 1 1.7693 0.0000 . 2 . . . . A 71 ARG HG2 . 30738 1 675 . 1 . 1 71 71 ARG HD2 H 1 3.1925 0.0000 . 2 . . . . A 71 ARG HD2 . 30738 1 676 . 1 . 1 71 71 ARG C C 13 175.8818 0.0000 . 1 . . . . A 71 ARG C . 30738 1 677 . 1 . 1 71 71 ARG CA C 13 59.6758 0.0000 . 1 . . . . A 71 ARG CA . 30738 1 678 . 1 . 1 71 71 ARG CB C 13 30.1375 0.0000 . 1 . . . . A 71 ARG CB . 30738 1 679 . 1 . 1 71 71 ARG CG C 13 27.5929 0.0000 . 1 . . . . A 71 ARG CG . 30738 1 680 . 1 . 1 71 71 ARG CD C 13 44.7533 0.0000 . 1 . . . . A 71 ARG CD . 30738 1 681 . 1 . 1 71 71 ARG N N 15 120.1262 0.0000 . 1 . . . . A 71 ARG N . 30738 1 682 . 1 . 1 72 72 GLU H H 1 8.0148 0.0000 . 1 . . . . A 72 GLU H . 30738 1 683 . 1 . 1 72 72 GLU HA H 1 4.0838 0.0000 . 1 . . . . A 72 GLU HA . 30738 1 684 . 1 . 1 72 72 GLU HB2 H 1 2.1639 0.0000 . 2 . . . . A 72 GLU HB2 . 30738 1 685 . 1 . 1 72 72 GLU HG2 H 1 2.3853 0.0000 . 2 . . . . A 72 GLU HG2 . 30738 1 686 . 1 . 1 72 72 GLU C C 13 175.2527 0.0000 . 1 . . . . A 72 GLU C . 30738 1 687 . 1 . 1 72 72 GLU CA C 13 59.5792 0.0000 . 1 . . . . A 72 GLU CA . 30738 1 688 . 1 . 1 72 72 GLU CB C 13 29.8957 0.0000 . 1 . . . . A 72 GLU CB . 30738 1 689 . 1 . 1 72 72 GLU CG C 13 36.8688 0.0000 . 1 . . . . A 72 GLU CG . 30738 1 690 . 1 . 1 72 72 GLU N N 15 118.8859 0.0000 . 1 . . . . A 72 GLU N . 30738 1 691 . 1 . 1 73 73 LYS H H 1 7.8435 0.0000 . 1 . . . . A 73 LYS H . 30738 1 692 . 1 . 1 73 73 LYS HA H 1 4.0692 0.0000 . 1 . . . . A 73 LYS HA . 30738 1 693 . 1 . 1 73 73 LYS HB2 H 1 1.3259 0.0000 . 2 . . . . A 73 LYS HB2 . 30738 1 694 . 1 . 1 73 73 LYS HB3 H 1 1.2242 0.0000 . 2 . . . . A 73 LYS HB3 . 30738 1 695 . 1 . 1 73 73 LYS HG2 H 1 0.9783 0.0000 . 2 . . . . A 73 LYS HG2 . 30738 1 696 . 1 . 1 73 73 LYS HG3 H 1 0.9753 0.0000 . 2 . . . . A 73 LYS HG3 . 30738 1 697 . 1 . 1 73 73 LYS HD2 H 1 1.7467 0.0000 . 2 . . . . A 73 LYS HD2 . 30738 1 698 . 1 . 1 73 73 LYS HE2 H 1 3.2022 0.0000 . 2 . . . . A 73 LYS HE2 . 30738 1 699 . 1 . 1 73 73 LYS C C 13 175.2998 0.0000 . 1 . . . . A 73 LYS C . 30738 1 700 . 1 . 1 73 73 LYS CA C 13 59.7657 0.0000 . 1 . . . . A 73 LYS CA . 30738 1 701 . 1 . 1 73 73 LYS CB C 13 34.2487 0.0000 . 1 . . . . A 73 LYS CB . 30738 1 702 . 1 . 1 73 73 LYS CG C 13 25.7716 0.0000 . 1 . . . . A 73 LYS CG . 30738 1 703 . 1 . 1 73 73 LYS CD C 13 27.6872 0.0000 . 1 . . . . A 73 LYS CD . 30738 1 704 . 1 . 1 73 73 LYS CE C 13 44.5260 0.0000 . 1 . . . . A 73 LYS CE . 30738 1 705 . 1 . 1 73 73 LYS N N 15 117.1377 0.0000 . 1 . . . . A 73 LYS N . 30738 1 706 . 1 . 1 74 74 PHE H H 1 8.5331 0.0000 . 1 . . . . A 74 PHE H . 30738 1 707 . 1 . 1 74 74 PHE HA H 1 4.0888 0.0000 . 1 . . . . A 74 PHE HA . 30738 1 708 . 1 . 1 74 74 PHE HB2 H 1 3.4457 0.0000 . 2 . . . . A 74 PHE HB2 . 30738 1 709 . 1 . 1 74 74 PHE HB3 H 1 2.9902 0.0000 . 2 . . . . A 74 PHE HB3 . 30738 1 710 . 1 . 1 74 74 PHE HD1 H 1 7.3800 0.0000 . 3 . . . . A 74 PHE HD1 . 30738 1 711 . 1 . 1 74 74 PHE C C 13 173.9096 0.0000 . 1 . . . . A 74 PHE C . 30738 1 712 . 1 . 1 74 74 PHE CA C 13 59.1838 0.0000 . 1 . . . . A 74 PHE CA . 30738 1 713 . 1 . 1 74 74 PHE CB C 13 40.9755 0.0000 . 1 . . . . A 74 PHE CB . 30738 1 714 . 1 . 1 74 74 PHE CD1 C 13 132.5954 0.0000 . 3 . . . . A 74 PHE CD1 . 30738 1 715 . 1 . 1 74 74 PHE N N 15 114.9073 0.0000 . 1 . . . . A 74 PHE N . 30738 1 716 . 1 . 1 75 75 GLY H H 1 7.7939 0.0000 . 1 . . . . A 75 GLY H . 30738 1 717 . 1 . 1 75 75 GLY HA2 H 1 4.5664 0.0000 . 2 . . . . A 75 GLY HA2 . 30738 1 718 . 1 . 1 75 75 GLY HA3 H 1 3.9425 0.0000 . 2 . . . . A 75 GLY HA3 . 30738 1 719 . 1 . 1 75 75 GLY C C 13 170.3300 0.0000 . 1 . . . . A 75 GLY C . 30738 1 720 . 1 . 1 75 75 GLY CA C 13 45.4308 0.0000 . 1 . . . . A 75 GLY CA . 30738 1 721 . 1 . 1 75 75 GLY N N 15 109.8880 0.0000 . 1 . . . . A 75 GLY N . 30738 1 722 . 1 . 1 76 76 SER H H 1 8.4000 0.0000 . 1 . . . . A 76 SER H . 30738 1 723 . 1 . 1 76 76 SER C C 13 171.6910 0.0000 . 1 . . . . A 76 SER C . 30738 1 724 . 1 . 1 76 76 SER CA C 13 57.6835 0.0000 . 1 . . . . A 76 SER CA . 30738 1 725 . 1 . 1 76 76 SER CB C 13 65.3699 0.0000 . 1 . . . . A 76 SER CB . 30738 1 726 . 1 . 1 76 76 SER N N 15 113.1099 0.0000 . 1 . . . . A 76 SER N . 30738 1 727 . 1 . 1 77 77 SER H H 1 8.1565 0.0000 . 1 . . . . A 77 SER H . 30738 1 728 . 1 . 1 77 77 SER HA H 1 4.5737 0.0000 . 1 . . . . A 77 SER HA . 30738 1 729 . 1 . 1 77 77 SER HB2 H 1 3.8987 0.0000 . 2 . . . . A 77 SER HB2 . 30738 1 730 . 1 . 1 77 77 SER C C 13 172.5115 0.0000 . 1 . . . . A 77 SER C . 30738 1 731 . 1 . 1 77 77 SER CA C 13 57.6877 0.0000 . 1 . . . . A 77 SER CA . 30738 1 732 . 1 . 1 77 77 SER CB C 13 65.5869 0.0000 . 1 . . . . A 77 SER CB . 30738 1 733 . 1 . 1 77 77 SER N N 15 114.8708 0.0000 . 1 . . . . A 77 SER N . 30738 1 734 . 1 . 1 78 78 LYS HA H 1 4.0264 0.0000 . 1 . . . . A 78 LYS HA . 30738 1 735 . 1 . 1 78 78 LYS HB2 H 1 2.0119 0.0000 . 2 . . . . A 78 LYS HB2 . 30738 1 736 . 1 . 1 78 78 LYS C C 13 176.6330 0.0000 . 1 . . . . A 78 LYS C . 30738 1 737 . 1 . 1 78 78 LYS CA C 13 60.3251 0.0000 . 1 . . . . A 78 LYS CA . 30738 1 738 . 1 . 1 78 78 LYS CB C 13 32.6842 0.0000 . 1 . . . . A 78 LYS CB . 30738 1 739 . 1 . 1 79 79 GLU H H 1 8.8162 0.0000 . 1 . . . . A 79 GLU H . 30738 1 740 . 1 . 1 79 79 GLU HA H 1 4.3290 0.0000 . 1 . . . . A 79 GLU HA . 30738 1 741 . 1 . 1 79 79 GLU HB2 H 1 2.2070 0.0000 . 2 . . . . A 79 GLU HB2 . 30738 1 742 . 1 . 1 79 79 GLU HG2 H 1 2.3792 0.0000 . 2 . . . . A 79 GLU HG2 . 30738 1 743 . 1 . 1 79 79 GLU C C 13 175.7480 0.0000 . 1 . . . . A 79 GLU C . 30738 1 744 . 1 . 1 79 79 GLU CA C 13 61.8798 0.0000 . 1 . . . . A 79 GLU CA . 30738 1 745 . 1 . 1 79 79 GLU CB C 13 30.1188 0.0000 . 1 . . . . A 79 GLU CB . 30738 1 746 . 1 . 1 79 79 GLU CG C 13 37.7175 0.0000 . 1 . . . . A 79 GLU CG . 30738 1 747 . 1 . 1 79 79 GLU N N 15 117.9162 0.0000 . 1 . . . . A 79 GLU N . 30738 1 748 . 1 . 1 80 80 ILE H H 1 7.8753 0.0000 . 1 . . . . A 80 ILE H . 30738 1 749 . 1 . 1 80 80 ILE HA H 1 3.7368 0.0000 . 1 . . . . A 80 ILE HA . 30738 1 750 . 1 . 1 80 80 ILE HB H 1 2.0056 0.0000 . 1 . . . . A 80 ILE HB . 30738 1 751 . 1 . 1 80 80 ILE HG21 H 1 1.0521 0.0000 . 1 . . . . A 80 ILE HG21 . 30738 1 752 . 1 . 1 80 80 ILE HG22 H 1 1.0521 0.0000 . 1 . . . . A 80 ILE HG22 . 30738 1 753 . 1 . 1 80 80 ILE HG23 H 1 1.0521 0.0000 . 1 . . . . A 80 ILE HG23 . 30738 1 754 . 1 . 1 80 80 ILE HD11 H 1 0.9249 0.0000 . 1 . . . . A 80 ILE HD11 . 30738 1 755 . 1 . 1 80 80 ILE HD12 H 1 0.9249 0.0000 . 1 . . . . A 80 ILE HD12 . 30738 1 756 . 1 . 1 80 80 ILE HD13 H 1 0.9249 0.0000 . 1 . . . . A 80 ILE HD13 . 30738 1 757 . 1 . 1 80 80 ILE C C 13 174.9253 0.0000 . 1 . . . . A 80 ILE C . 30738 1 758 . 1 . 1 80 80 ILE CA C 13 65.7849 0.0000 . 1 . . . . A 80 ILE CA . 30738 1 759 . 1 . 1 80 80 ILE CB C 13 37.9288 0.0000 . 1 . . . . A 80 ILE CB . 30738 1 760 . 1 . 1 80 80 ILE CG2 C 13 18.4065 0.0000 . 1 . . . . A 80 ILE CG2 . 30738 1 761 . 1 . 1 80 80 ILE CD1 C 13 13.4523 0.0000 . 1 . . . . A 80 ILE CD1 . 30738 1 762 . 1 . 1 80 80 ILE N N 15 120.5974 0.0000 . 1 . . . . A 80 ILE N . 30738 1 763 . 1 . 1 81 81 ASP H H 1 8.4149 0.0000 . 1 . . . . A 81 ASP H . 30738 1 764 . 1 . 1 81 81 ASP HA H 1 4.2622 0.0000 . 1 . . . . A 81 ASP HA . 30738 1 765 . 1 . 1 81 81 ASP HB2 H 1 2.9056 0.0000 . 2 . . . . A 81 ASP HB2 . 30738 1 766 . 1 . 1 81 81 ASP C C 13 176.9146 0.0000 . 1 . . . . A 81 ASP C . 30738 1 767 . 1 . 1 81 81 ASP CA C 13 60.1966 0.0000 . 1 . . . . A 81 ASP CA . 30738 1 768 . 1 . 1 81 81 ASP CB C 13 39.5895 0.0000 . 1 . . . . A 81 ASP CB . 30738 1 769 . 1 . 1 81 81 ASP N N 15 120.5396 0.0000 . 1 . . . . A 81 ASP N . 30738 1 770 . 1 . 1 82 82 MET H H 1 8.2452 0.0000 . 1 . . . . A 82 MET H . 30738 1 771 . 1 . 1 82 82 MET HA H 1 4.6271 0.0000 . 1 . . . . A 82 MET HA . 30738 1 772 . 1 . 1 82 82 MET HB2 H 1 2.4139 0.0000 . 2 . . . . A 82 MET HB2 . 30738 1 773 . 1 . 1 82 82 MET HG2 H 1 2.9823 0.0000 . 2 . . . . A 82 MET HG2 . 30738 1 774 . 1 . 1 82 82 MET HE1 H 1 2.0017 0.0000 . 1 . . . . A 82 MET HE1 . 30738 1 775 . 1 . 1 82 82 MET HE2 H 1 2.0017 0.0000 . 1 . . . . A 82 MET HE2 . 30738 1 776 . 1 . 1 82 82 MET HE3 H 1 2.0017 0.0000 . 1 . . . . A 82 MET HE3 . 30738 1 777 . 1 . 1 82 82 MET C C 13 177.1098 0.0000 . 1 . . . . A 82 MET C . 30738 1 778 . 1 . 1 82 82 MET CA C 13 57.6012 0.0000 . 1 . . . . A 82 MET CA . 30738 1 779 . 1 . 1 82 82 MET CB C 13 33.2849 0.0000 . 1 . . . . A 82 MET CB . 30738 1 780 . 1 . 1 82 82 MET CG C 13 32.0184 0.0000 . 1 . . . . A 82 MET CG . 30738 1 781 . 1 . 1 82 82 MET CE C 13 17.8891 0.0000 . 1 . . . . A 82 MET CE . 30738 1 782 . 1 . 1 82 82 MET N N 15 118.6281 0.0000 . 1 . . . . A 82 MET N . 30738 1 783 . 1 . 1 83 83 ALA H H 1 9.0031 0.0000 . 1 . . . . A 83 ALA H . 30738 1 784 . 1 . 1 83 83 ALA HA H 1 4.1446 0.0000 . 1 . . . . A 83 ALA HA . 30738 1 785 . 1 . 1 83 83 ALA HB1 H 1 1.3873 0.0000 . 1 . . . . A 83 ALA HB1 . 30738 1 786 . 1 . 1 83 83 ALA HB2 H 1 1.3873 0.0000 . 1 . . . . A 83 ALA HB2 . 30738 1 787 . 1 . 1 83 83 ALA HB3 H 1 1.3873 0.0000 . 1 . . . . A 83 ALA HB3 . 30738 1 788 . 1 . 1 83 83 ALA C C 13 175.9822 0.0000 . 1 . . . . A 83 ALA C . 30738 1 789 . 1 . 1 83 83 ALA CA C 13 57.6020 0.0000 . 1 . . . . A 83 ALA CA . 30738 1 790 . 1 . 1 83 83 ALA CB C 13 17.9679 0.0000 . 1 . . . . A 83 ALA CB . 30738 1 791 . 1 . 1 83 83 ALA N N 15 127.4257 0.0000 . 1 . . . . A 83 ALA N . 30738 1 792 . 1 . 1 84 84 ILE H H 1 8.4345 0.0000 . 1 . . . . A 84 ILE H . 30738 1 793 . 1 . 1 84 84 ILE HA H 1 3.4005 0.0000 . 1 . . . . A 84 ILE HA . 30738 1 794 . 1 . 1 84 84 ILE HB H 1 2.4098 0.0000 . 1 . . . . A 84 ILE HB . 30738 1 795 . 1 . 1 84 84 ILE HG21 H 1 0.9693 0.0000 . 1 . . . . A 84 ILE HG21 . 30738 1 796 . 1 . 1 84 84 ILE HG22 H 1 0.9693 0.0000 . 1 . . . . A 84 ILE HG22 . 30738 1 797 . 1 . 1 84 84 ILE HG23 H 1 0.9693 0.0000 . 1 . . . . A 84 ILE HG23 . 30738 1 798 . 1 . 1 84 84 ILE HD11 H 1 0.9214 0.0000 . 1 . . . . A 84 ILE HD11 . 30738 1 799 . 1 . 1 84 84 ILE HD12 H 1 0.9214 0.0000 . 1 . . . . A 84 ILE HD12 . 30738 1 800 . 1 . 1 84 84 ILE HD13 H 1 0.9214 0.0000 . 1 . . . . A 84 ILE HD13 . 30738 1 801 . 1 . 1 84 84 ILE C C 13 174.8200 0.0000 . 1 . . . . A 84 ILE C . 30738 1 802 . 1 . 1 84 84 ILE CA C 13 67.9215 0.0000 . 1 . . . . A 84 ILE CA . 30738 1 803 . 1 . 1 84 84 ILE CB C 13 37.6423 0.0000 . 1 . . . . A 84 ILE CB . 30738 1 804 . 1 . 1 84 84 ILE CG2 C 13 18.6899 0.0000 . 1 . . . . A 84 ILE CG2 . 30738 1 805 . 1 . 1 84 84 ILE CD1 C 13 14.1207 0.0000 . 1 . . . . A 84 ILE CD1 . 30738 1 806 . 1 . 1 84 84 ILE N N 15 116.2860 0.0000 . 1 . . . . A 84 ILE N . 30738 1 807 . 1 . 1 85 85 VAL H H 1 7.8380 0.0000 . 1 . . . . A 85 VAL H . 30738 1 808 . 1 . 1 85 85 VAL HA H 1 3.5929 0.0000 . 1 . . . . A 85 VAL HA . 30738 1 809 . 1 . 1 85 85 VAL HB H 1 2.2882 0.0000 . 1 . . . . A 85 VAL HB . 30738 1 810 . 1 . 1 85 85 VAL HG11 H 1 1.0904 0.0000 . 2 . . . . A 85 VAL HG11 . 30738 1 811 . 1 . 1 85 85 VAL HG12 H 1 1.0904 0.0000 . 2 . . . . A 85 VAL HG12 . 30738 1 812 . 1 . 1 85 85 VAL HG13 H 1 1.0904 0.0000 . 2 . . . . A 85 VAL HG13 . 30738 1 813 . 1 . 1 85 85 VAL HG21 H 1 0.7807 0.0000 . 2 . . . . A 85 VAL HG21 . 30738 1 814 . 1 . 1 85 85 VAL HG22 H 1 0.7807 0.0000 . 2 . . . . A 85 VAL HG22 . 30738 1 815 . 1 . 1 85 85 VAL HG23 H 1 0.7807 0.0000 . 2 . . . . A 85 VAL HG23 . 30738 1 816 . 1 . 1 85 85 VAL C C 13 174.5542 0.0000 . 1 . . . . A 85 VAL C . 30738 1 817 . 1 . 1 85 85 VAL CA C 13 67.5471 0.0000 . 1 . . . . A 85 VAL CA . 30738 1 818 . 1 . 1 85 85 VAL CB C 13 32.4512 0.0000 . 1 . . . . A 85 VAL CB . 30738 1 819 . 1 . 1 85 85 VAL CG1 C 13 22.7801 0.0000 . 2 . . . . A 85 VAL CG1 . 30738 1 820 . 1 . 1 85 85 VAL CG2 C 13 22.6875 0.0000 . 2 . . . . A 85 VAL CG2 . 30738 1 821 . 1 . 1 85 85 VAL N N 15 117.6716 0.0000 . 1 . . . . A 85 VAL N . 30738 1 822 . 1 . 1 86 86 THR H H 1 8.2551 0.0000 . 1 . . . . A 86 THR H . 30738 1 823 . 1 . 1 86 86 THR HA H 1 3.6742 0.0000 . 1 . . . . A 86 THR HA . 30738 1 824 . 1 . 1 86 86 THR HB H 1 4.3797 0.0000 . 1 . . . . A 86 THR HB . 30738 1 825 . 1 . 1 86 86 THR HG21 H 1 1.6552 0.0000 . 1 . . . . A 86 THR HG21 . 30738 1 826 . 1 . 1 86 86 THR HG22 H 1 1.6552 0.0000 . 1 . . . . A 86 THR HG22 . 30738 1 827 . 1 . 1 86 86 THR HG23 H 1 1.6552 0.0000 . 1 . . . . A 86 THR HG23 . 30738 1 828 . 1 . 1 86 86 THR C C 13 176.3248 0.0000 . 1 . . . . A 86 THR C . 30738 1 829 . 1 . 1 86 86 THR CA C 13 68.3015 0.0000 . 1 . . . . A 86 THR CA . 30738 1 830 . 1 . 1 86 86 THR CB C 13 69.3749 0.0000 . 1 . . . . A 86 THR CB . 30738 1 831 . 1 . 1 86 86 THR CG2 C 13 20.0615 0.0000 . 1 . . . . A 86 THR CG2 . 30738 1 832 . 1 . 1 86 86 THR N N 15 116.7376 0.0000 . 1 . . . . A 86 THR N . 30738 1 833 . 1 . 1 87 87 LEU H H 1 7.9705 0.0000 . 1 . . . . A 87 LEU H . 30738 1 834 . 1 . 1 87 87 LEU HA H 1 4.1794 0.0000 . 1 . . . . A 87 LEU HA . 30738 1 835 . 1 . 1 87 87 LEU HB2 H 1 1.9686 0.0000 . 2 . . . . A 87 LEU HB2 . 30738 1 836 . 1 . 1 87 87 LEU HB3 H 1 1.5871 0.0000 . 2 . . . . A 87 LEU HB3 . 30738 1 837 . 1 . 1 87 87 LEU HG H 1 1.7644 0.0000 . 1 . . . . A 87 LEU HG . 30738 1 838 . 1 . 1 87 87 LEU HD11 H 1 0.7086 0.0000 . 2 . . . . A 87 LEU HD11 . 30738 1 839 . 1 . 1 87 87 LEU HD12 H 1 0.7086 0.0000 . 2 . . . . A 87 LEU HD12 . 30738 1 840 . 1 . 1 87 87 LEU HD13 H 1 0.7086 0.0000 . 2 . . . . A 87 LEU HD13 . 30738 1 841 . 1 . 1 87 87 LEU C C 13 175.9490 0.0000 . 1 . . . . A 87 LEU C . 30738 1 842 . 1 . 1 87 87 LEU CA C 13 58.9101 0.0000 . 1 . . . . A 87 LEU CA . 30738 1 843 . 1 . 1 87 87 LEU CB C 13 42.2037 0.0000 . 1 . . . . A 87 LEU CB . 30738 1 844 . 1 . 1 87 87 LEU CG C 13 27.6275 0.0000 . 1 . . . . A 87 LEU CG . 30738 1 845 . 1 . 1 87 87 LEU CD1 C 13 22.6563 0.0000 . 2 . . . . A 87 LEU CD1 . 30738 1 846 . 1 . 1 87 87 LEU N N 15 119.8074 0.0000 . 1 . . . . A 87 LEU N . 30738 1 847 . 1 . 1 88 88 LYS H H 1 8.0842 0.0000 . 1 . . . . A 88 LYS H . 30738 1 848 . 1 . 1 88 88 LYS HA H 1 4.0976 0.0000 . 1 . . . . A 88 LYS HA . 30738 1 849 . 1 . 1 88 88 LYS HB2 H 1 1.9290 0.0000 . 2 . . . . A 88 LYS HB2 . 30738 1 850 . 1 . 1 88 88 LYS HG2 H 1 1.0279 0.0000 . 2 . . . . A 88 LYS HG2 . 30738 1 851 . 1 . 1 88 88 LYS C C 13 176.2940 0.0000 . 1 . . . . A 88 LYS C . 30738 1 852 . 1 . 1 88 88 LYS CA C 13 59.8413 0.0000 . 1 . . . . A 88 LYS CA . 30738 1 853 . 1 . 1 88 88 LYS CB C 13 33.2311 0.0000 . 1 . . . . A 88 LYS CB . 30738 1 854 . 1 . 1 88 88 LYS CG C 13 24.3403 0.0000 . 1 . . . . A 88 LYS CG . 30738 1 855 . 1 . 1 88 88 LYS N N 15 120.4049 0.0000 . 1 . . . . A 88 LYS N . 30738 1 856 . 1 . 1 89 89 VAL H H 1 8.3516 0.0000 . 1 . . . . A 89 VAL H . 30738 1 857 . 1 . 1 89 89 VAL HA H 1 3.5574 0.0000 . 1 . . . . A 89 VAL HA . 30738 1 858 . 1 . 1 89 89 VAL HB H 1 2.2881 0.0000 . 1 . . . . A 89 VAL HB . 30738 1 859 . 1 . 1 89 89 VAL HG11 H 1 1.0229 0.0000 . 2 . . . . A 89 VAL HG11 . 30738 1 860 . 1 . 1 89 89 VAL HG12 H 1 1.0229 0.0000 . 2 . . . . A 89 VAL HG12 . 30738 1 861 . 1 . 1 89 89 VAL HG13 H 1 1.0229 0.0000 . 2 . . . . A 89 VAL HG13 . 30738 1 862 . 1 . 1 89 89 VAL HG21 H 1 0.9679 0.0000 . 2 . . . . A 89 VAL HG21 . 30738 1 863 . 1 . 1 89 89 VAL HG22 H 1 0.9679 0.0000 . 2 . . . . A 89 VAL HG22 . 30738 1 864 . 1 . 1 89 89 VAL HG23 H 1 0.9679 0.0000 . 2 . . . . A 89 VAL HG23 . 30738 1 865 . 1 . 1 89 89 VAL C C 13 174.4152 0.0000 . 1 . . . . A 89 VAL C . 30738 1 866 . 1 . 1 89 89 VAL CA C 13 67.6667 0.0000 . 1 . . . . A 89 VAL CA . 30738 1 867 . 1 . 1 89 89 VAL CB C 13 32.7502 0.0000 . 1 . . . . A 89 VAL CB . 30738 1 868 . 1 . 1 89 89 VAL CG1 C 13 23.3398 0.0000 . 2 . . . . A 89 VAL CG1 . 30738 1 869 . 1 . 1 89 89 VAL N N 15 118.9826 0.0000 . 1 . . . . A 89 VAL N . 30738 1 870 . 1 . 1 90 90 PHE H H 1 8.0367 0.0000 . 1 . . . . A 90 PHE H . 30738 1 871 . 1 . 1 90 90 PHE HA H 1 3.9037 0.0000 . 1 . . . . A 90 PHE HA . 30738 1 872 . 1 . 1 90 90 PHE HB2 H 1 3.0728 0.0000 . 2 . . . . A 90 PHE HB2 . 30738 1 873 . 1 . 1 90 90 PHE HD1 H 1 6.2676 0.0000 . 3 . . . . A 90 PHE HD1 . 30738 1 874 . 1 . 1 90 90 PHE HE1 H 1 6.6197 0.0000 . 3 . . . . A 90 PHE HE1 . 30738 1 875 . 1 . 1 90 90 PHE HZ H 1 6.8823 0.0000 . 1 . . . . A 90 PHE HZ . 30738 1 876 . 1 . 1 90 90 PHE C C 13 174.9044 0.0000 . 1 . . . . A 90 PHE C . 30738 1 877 . 1 . 1 90 90 PHE CA C 13 62.8024 0.0000 . 1 . . . . A 90 PHE CA . 30738 1 878 . 1 . 1 90 90 PHE CB C 13 39.6025 0.0000 . 1 . . . . A 90 PHE CB . 30738 1 879 . 1 . 1 90 90 PHE CD1 C 13 131.7953 0.0000 . 3 . . . . A 90 PHE CD1 . 30738 1 880 . 1 . 1 90 90 PHE CE1 C 13 131.2674 0.0000 . 3 . . . . A 90 PHE CE1 . 30738 1 881 . 1 . 1 90 90 PHE CZ C 13 128.2200 0.0000 . 1 . . . . A 90 PHE CZ . 30738 1 882 . 1 . 1 90 90 PHE N N 15 119.2618 0.0000 . 1 . . . . A 90 PHE N . 30738 1 883 . 1 . 1 91 91 ALA H H 1 8.2700 0.0000 . 1 . . . . A 91 ALA H . 30738 1 884 . 1 . 1 91 91 ALA HA H 1 3.8072 0.0000 . 1 . . . . A 91 ALA HA . 30738 1 885 . 1 . 1 91 91 ALA HB1 H 1 1.6793 0.0000 . 1 . . . . A 91 ALA HB1 . 30738 1 886 . 1 . 1 91 91 ALA HB2 H 1 1.6793 0.0000 . 1 . . . . A 91 ALA HB2 . 30738 1 887 . 1 . 1 91 91 ALA HB3 H 1 1.6793 0.0000 . 1 . . . . A 91 ALA HB3 . 30738 1 888 . 1 . 1 91 91 ALA C C 13 174.6671 0.0000 . 1 . . . . A 91 ALA C . 30738 1 889 . 1 . 1 91 91 ALA CA C 13 56.6683 0.0000 . 1 . . . . A 91 ALA CA . 30738 1 890 . 1 . 1 91 91 ALA CB C 13 19.4905 0.0000 . 1 . . . . A 91 ALA CB . 30738 1 891 . 1 . 1 91 91 ALA N N 15 118.6148 0.0000 . 1 . . . . A 91 ALA N . 30738 1 892 . 1 . 1 92 92 VAL H H 1 8.1899 0.0000 . 1 . . . . A 92 VAL H . 30738 1 893 . 1 . 1 92 92 VAL HA H 1 3.5934 0.0000 . 1 . . . . A 92 VAL HA . 30738 1 894 . 1 . 1 92 92 VAL HB H 1 2.0094 0.0000 . 1 . . . . A 92 VAL HB . 30738 1 895 . 1 . 1 92 92 VAL HG11 H 1 1.1686 0.0000 . 2 . . . . A 92 VAL HG11 . 30738 1 896 . 1 . 1 92 92 VAL HG12 H 1 1.1686 0.0000 . 2 . . . . A 92 VAL HG12 . 30738 1 897 . 1 . 1 92 92 VAL HG13 H 1 1.1686 0.0000 . 2 . . . . A 92 VAL HG13 . 30738 1 898 . 1 . 1 92 92 VAL C C 13 172.6908 0.0000 . 1 . . . . A 92 VAL C . 30738 1 899 . 1 . 1 92 92 VAL CA C 13 67.3015 0.0000 . 1 . . . . A 92 VAL CA . 30738 1 900 . 1 . 1 92 92 VAL CB C 13 33.7619 0.0000 . 1 . . . . A 92 VAL CB . 30738 1 901 . 1 . 1 92 92 VAL CG1 C 13 23.7703 0.0000 . 2 . . . . A 92 VAL CG1 . 30738 1 902 . 1 . 1 92 92 VAL N N 15 113.4637 0.0000 . 1 . . . . A 92 VAL N . 30738 1 903 . 1 . 1 93 93 ALA H H 1 8.6059 0.0000 . 1 . . . . A 93 ALA H . 30738 1 904 . 1 . 1 93 93 ALA HA H 1 4.7251 0.0000 . 1 . . . . A 93 ALA HA . 30738 1 905 . 1 . 1 93 93 ALA HB1 H 1 1.3396 0.0000 . 1 . . . . A 93 ALA HB1 . 30738 1 906 . 1 . 1 93 93 ALA HB2 H 1 1.3396 0.0000 . 1 . . . . A 93 ALA HB2 . 30738 1 907 . 1 . 1 93 93 ALA HB3 H 1 1.3396 0.0000 . 1 . . . . A 93 ALA HB3 . 30738 1 908 . 1 . 1 93 93 ALA C C 13 175.7353 0.0000 . 1 . . . . A 93 ALA C . 30738 1 909 . 1 . 1 93 93 ALA CA C 13 53.5209 0.0000 . 1 . . . . A 93 ALA CA . 30738 1 910 . 1 . 1 93 93 ALA CB C 13 20.1467 0.0000 . 1 . . . . A 93 ALA CB . 30738 1 911 . 1 . 1 93 93 ALA N N 15 118.7767 0.0000 . 1 . . . . A 93 ALA N . 30738 1 912 . 1 . 1 94 94 GLY H H 1 6.9694 0.0000 . 1 . . . . A 94 GLY H . 30738 1 913 . 1 . 1 94 94 GLY HA2 H 1 3.8012 0.0000 . 2 . . . . A 94 GLY HA2 . 30738 1 914 . 1 . 1 94 94 GLY C C 13 171.4467 0.0000 . 1 . . . . A 94 GLY C . 30738 1 915 . 1 . 1 94 94 GLY CA C 13 47.1858 0.0000 . 1 . . . . A 94 GLY CA . 30738 1 916 . 1 . 1 94 94 GLY N N 15 105.0795 0.0000 . 1 . . . . A 94 GLY N . 30738 1 917 . 1 . 1 95 95 LEU H H 1 7.7642 0.0000 . 1 . . . . A 95 LEU H . 30738 1 918 . 1 . 1 95 95 LEU HA H 1 4.1051 0.0000 . 1 . . . . A 95 LEU HA . 30738 1 919 . 1 . 1 95 95 LEU HB2 H 1 2.1109 0.0000 . 2 . . . . A 95 LEU HB2 . 30738 1 920 . 1 . 1 95 95 LEU HB3 H 1 1.5218 0.0000 . 2 . . . . A 95 LEU HB3 . 30738 1 921 . 1 . 1 95 95 LEU HG H 1 1.2493 0.0000 . 1 . . . . A 95 LEU HG . 30738 1 922 . 1 . 1 95 95 LEU HD11 H 1 0.5649 0.0000 . 2 . . . . A 95 LEU HD11 . 30738 1 923 . 1 . 1 95 95 LEU HD12 H 1 0.5649 0.0000 . 2 . . . . A 95 LEU HD12 . 30738 1 924 . 1 . 1 95 95 LEU HD13 H 1 0.5649 0.0000 . 2 . . . . A 95 LEU HD13 . 30738 1 925 . 1 . 1 95 95 LEU C C 13 176.5315 0.0000 . 1 . . . . A 95 LEU C . 30738 1 926 . 1 . 1 95 95 LEU CA C 13 57.8772 0.0000 . 1 . . . . A 95 LEU CA . 30738 1 927 . 1 . 1 95 95 LEU CB C 13 41.9521 0.0000 . 1 . . . . A 95 LEU CB . 30738 1 928 . 1 . 1 95 95 LEU CG C 13 27.8511 0.0000 . 1 . . . . A 95 LEU CG . 30738 1 929 . 1 . 1 95 95 LEU CD1 C 13 22.8608 0.0000 . 2 . . . . A 95 LEU CD1 . 30738 1 930 . 1 . 1 95 95 LEU N N 15 120.7418 0.0000 . 1 . . . . A 95 LEU N . 30738 1 931 . 1 . 1 96 96 LEU H H 1 7.7466 0.0000 . 1 . . . . A 96 LEU H . 30738 1 932 . 1 . 1 96 96 LEU HA H 1 4.3585 0.0000 . 1 . . . . A 96 LEU HA . 30738 1 933 . 1 . 1 96 96 LEU HB2 H 1 1.5574 0.0000 . 2 . . . . A 96 LEU HB2 . 30738 1 934 . 1 . 1 96 96 LEU HG H 1 1.5849 0.0000 . 1 . . . . A 96 LEU HG . 30738 1 935 . 1 . 1 96 96 LEU HD11 H 1 0.9034 0.0000 . 2 . . . . A 96 LEU HD11 . 30738 1 936 . 1 . 1 96 96 LEU HD12 H 1 0.9034 0.0000 . 2 . . . . A 96 LEU HD12 . 30738 1 937 . 1 . 1 96 96 LEU HD13 H 1 0.9034 0.0000 . 2 . . . . A 96 LEU HD13 . 30738 1 938 . 1 . 1 96 96 LEU C C 13 174.0608 0.0000 . 1 . . . . A 96 LEU C . 30738 1 939 . 1 . 1 96 96 LEU CA C 13 55.7615 0.0000 . 1 . . . . A 96 LEU CA . 30738 1 940 . 1 . 1 96 96 LEU CB C 13 42.5859 0.0000 . 1 . . . . A 96 LEU CB . 30738 1 941 . 1 . 1 96 96 LEU CG C 13 27.6529 0.0000 . 1 . . . . A 96 LEU CG . 30738 1 942 . 1 . 1 96 96 LEU CD1 C 13 23.3221 0.0000 . 2 . . . . A 96 LEU CD1 . 30738 1 943 . 1 . 1 96 96 LEU N N 15 115.7195 0.0000 . 1 . . . . A 96 LEU N . 30738 1 944 . 1 . 1 97 97 ASN H H 1 6.7074 0.0000 . 1 . . . . A 97 ASN H . 30738 1 945 . 1 . 1 97 97 ASN HA H 1 4.2765 0.0000 . 1 . . . . A 97 ASN HA . 30738 1 946 . 1 . 1 97 97 ASN HB2 H 1 3.1733 0.0000 . 2 . . . . A 97 ASN HB2 . 30738 1 947 . 1 . 1 97 97 ASN HB3 H 1 2.3437 0.0000 . 2 . . . . A 97 ASN HB3 . 30738 1 948 . 1 . 1 97 97 ASN HD21 H 1 7.3299 0.0000 . 2 . . . . A 97 ASN HD21 . 30738 1 949 . 1 . 1 97 97 ASN HD22 H 1 6.4703 0.0000 . 2 . . . . A 97 ASN HD22 . 30738 1 950 . 1 . 1 97 97 ASN C C 13 171.5298 0.0000 . 1 . . . . A 97 ASN C . 30738 1 951 . 1 . 1 97 97 ASN CA C 13 54.8298 0.0000 . 1 . . . . A 97 ASN CA . 30738 1 952 . 1 . 1 97 97 ASN CB C 13 37.9889 0.0000 . 1 . . . . A 97 ASN CB . 30738 1 953 . 1 . 1 97 97 ASN N N 15 112.5459 0.0000 . 1 . . . . A 97 ASN N . 30738 1 954 . 1 . 1 97 97 ASN ND2 N 15 108.6089 0.0000 . 1 . . . . A 97 ASN ND2 . 30738 1 955 . 1 . 1 98 98 MET H H 1 8.2009 0.0000 . 1 . . . . A 98 MET H . 30738 1 956 . 1 . 1 98 98 MET HA H 1 4.6180 0.0000 . 1 . . . . A 98 MET HA . 30738 1 957 . 1 . 1 98 98 MET HE1 H 1 2.1578 0.0000 . 1 . . . . A 98 MET HE1 . 30738 1 958 . 1 . 1 98 98 MET HE2 H 1 2.1578 0.0000 . 1 . . . . A 98 MET HE2 . 30738 1 959 . 1 . 1 98 98 MET HE3 H 1 2.1578 0.0000 . 1 . . . . A 98 MET HE3 . 30738 1 960 . 1 . 1 98 98 MET C C 13 173.9225 0.0000 . 1 . . . . A 98 MET C . 30738 1 961 . 1 . 1 98 98 MET CA C 13 55.3882 0.0000 . 1 . . . . A 98 MET CA . 30738 1 962 . 1 . 1 98 98 MET CE C 13 18.2432 0.0000 . 1 . . . . A 98 MET CE . 30738 1 963 . 1 . 1 98 98 MET N N 15 116.3011 0.0000 . 1 . . . . A 98 MET N . 30738 1 964 . 1 . 1 99 99 THR HA H 1 4.2517 0.0000 . 1 . . . . A 99 THR HA . 30738 1 965 . 1 . 1 99 99 THR HB H 1 4.1072 0.0000 . 1 . . . . A 99 THR HB . 30738 1 966 . 1 . 1 99 99 THR HG21 H 1 1.1811 0.0000 . 1 . . . . A 99 THR HG21 . 30738 1 967 . 1 . 1 99 99 THR HG22 H 1 1.1811 0.0000 . 1 . . . . A 99 THR HG22 . 30738 1 968 . 1 . 1 99 99 THR HG23 H 1 1.1811 0.0000 . 1 . . . . A 99 THR HG23 . 30738 1 969 . 1 . 1 99 99 THR C C 13 171.5181 0.0000 . 1 . . . . A 99 THR C . 30738 1 970 . 1 . 1 99 99 THR CA C 13 63.2681 0.0000 . 1 . . . . A 99 THR CA . 30738 1 971 . 1 . 1 99 99 THR CB C 13 69.3868 0.0000 . 1 . . . . A 99 THR CB . 30738 1 972 . 1 . 1 99 99 THR CG2 C 13 22.2433 0.0000 . 1 . . . . A 99 THR CG2 . 30738 1 973 . 1 . 1 100 100 VAL H H 1 7.9548 0.0000 . 1 . . . . A 100 VAL H . 30738 1 974 . 1 . 1 100 100 VAL HA H 1 4.6361 0.0000 . 1 . . . . A 100 VAL HA . 30738 1 975 . 1 . 1 100 100 VAL HB H 1 2.1535 0.0000 . 1 . . . . A 100 VAL HB . 30738 1 976 . 1 . 1 100 100 VAL HG11 H 1 0.9368 0.0000 . 2 . . . . A 100 VAL HG11 . 30738 1 977 . 1 . 1 100 100 VAL HG12 H 1 0.9368 0.0000 . 2 . . . . A 100 VAL HG12 . 30738 1 978 . 1 . 1 100 100 VAL HG13 H 1 0.9368 0.0000 . 2 . . . . A 100 VAL HG13 . 30738 1 979 . 1 . 1 100 100 VAL HG21 H 1 0.9638 0.0000 . 2 . . . . A 100 VAL HG21 . 30738 1 980 . 1 . 1 100 100 VAL HG22 H 1 0.9638 0.0000 . 2 . . . . A 100 VAL HG22 . 30738 1 981 . 1 . 1 100 100 VAL HG23 H 1 0.9638 0.0000 . 2 . . . . A 100 VAL HG23 . 30738 1 982 . 1 . 1 100 100 VAL C C 13 172.5230 0.0000 . 1 . . . . A 100 VAL C . 30738 1 983 . 1 . 1 100 100 VAL CA C 13 60.1525 0.0000 . 1 . . . . A 100 VAL CA . 30738 1 984 . 1 . 1 100 100 VAL CB C 13 35.5674 0.0000 . 1 . . . . A 100 VAL CB . 30738 1 985 . 1 . 1 100 100 VAL CG1 C 13 23.6938 0.0000 . 2 . . . . A 100 VAL CG1 . 30738 1 986 . 1 . 1 100 100 VAL CG2 C 13 20.8100 0.0000 . 2 . . . . A 100 VAL CG2 . 30738 1 987 . 1 . 1 100 100 VAL N N 15 121.1750 0.0000 . 1 . . . . A 100 VAL N . 30738 1 988 . 1 . 1 101 101 SER H H 1 8.0635 0.0000 . 1 . . . . A 101 SER H . 30738 1 989 . 1 . 1 101 101 SER HA H 1 4.2870 0.0000 . 1 . . . . A 101 SER HA . 30738 1 990 . 1 . 1 101 101 SER HB2 H 1 4.1198 0.0000 . 2 . . . . A 101 SER HB2 . 30738 1 991 . 1 . 1 101 101 SER C C 13 173.1813 0.0000 . 1 . . . . A 101 SER C . 30738 1 992 . 1 . 1 101 101 SER CA C 13 59.1621 0.0000 . 1 . . . . A 101 SER CA . 30738 1 993 . 1 . 1 101 101 SER CB C 13 60.2148 0.0000 . 1 . . . . A 101 SER CB . 30738 1 994 . 1 . 1 102 102 THR H H 1 7.2798 0.0000 . 1 . . . . A 102 THR H . 30738 1 995 . 1 . 1 102 102 THR HA H 1 5.4863 0.0000 . 1 . . . . A 102 THR HA . 30738 1 996 . 1 . 1 102 102 THR HB H 1 4.6558 0.0000 . 1 . . . . A 102 THR HB . 30738 1 997 . 1 . 1 102 102 THR HG21 H 1 1.3101 0.0000 . 1 . . . . A 102 THR HG21 . 30738 1 998 . 1 . 1 102 102 THR HG22 H 1 1.3101 0.0000 . 1 . . . . A 102 THR HG22 . 30738 1 999 . 1 . 1 102 102 THR HG23 H 1 1.3101 0.0000 . 1 . . . . A 102 THR HG23 . 30738 1 1000 . 1 . 1 102 102 THR C C 13 172.0073 0.0000 . 1 . . . . A 102 THR C . 30738 1 1001 . 1 . 1 102 102 THR CA C 13 60.3059 0.0000 . 1 . . . . A 102 THR CA . 30738 1 1002 . 1 . 1 102 102 THR CB C 13 74.6836 0.0000 . 1 . . . . A 102 THR CB . 30738 1 1003 . 1 . 1 102 102 THR CG2 C 13 22.7360 0.0000 . 1 . . . . A 102 THR CG2 . 30738 1 1004 . 1 . 1 102 102 THR N N 15 109.7245 0.0000 . 1 . . . . A 102 THR N . 30738 1 1005 . 1 . 1 103 103 ALA H H 1 8.4682 0.0000 . 1 . . . . A 103 ALA H . 30738 1 1006 . 1 . 1 103 103 ALA HA H 1 4.0016 0.0000 . 1 . . . . A 103 ALA HA . 30738 1 1007 . 1 . 1 103 103 ALA HB1 H 1 1.7389 0.0000 . 1 . . . . A 103 ALA HB1 . 30738 1 1008 . 1 . 1 103 103 ALA HB2 H 1 1.7389 0.0000 . 1 . . . . A 103 ALA HB2 . 30738 1 1009 . 1 . 1 103 103 ALA HB3 H 1 1.7389 0.0000 . 1 . . . . A 103 ALA HB3 . 30738 1 1010 . 1 . 1 103 103 ALA C C 13 175.9079 0.0000 . 1 . . . . A 103 ALA C . 30738 1 1011 . 1 . 1 103 103 ALA CA C 13 55.6587 0.0000 . 1 . . . . A 103 ALA CA . 30738 1 1012 . 1 . 1 103 103 ALA CB C 13 19.2074 0.0000 . 1 . . . . A 103 ALA CB . 30738 1 1013 . 1 . 1 103 103 ALA N N 15 123.9939 0.0000 . 1 . . . . A 103 ALA N . 30738 1 1014 . 1 . 1 104 104 ALA H H 1 8.4964 0.0000 . 1 . . . . A 104 ALA H . 30738 1 1015 . 1 . 1 104 104 ALA HA H 1 4.3506 0.0000 . 1 . . . . A 104 ALA HA . 30738 1 1016 . 1 . 1 104 104 ALA HB1 H 1 1.5137 0.0000 . 1 . . . . A 104 ALA HB1 . 30738 1 1017 . 1 . 1 104 104 ALA HB2 H 1 1.5137 0.0000 . 1 . . . . A 104 ALA HB2 . 30738 1 1018 . 1 . 1 104 104 ALA HB3 H 1 1.5137 0.0000 . 1 . . . . A 104 ALA HB3 . 30738 1 1019 . 1 . 1 104 104 ALA C C 13 177.9654 0.0000 . 1 . . . . A 104 ALA C . 30738 1 1020 . 1 . 1 104 104 ALA CA C 13 56.3317 0.0000 . 1 . . . . A 104 ALA CA . 30738 1 1021 . 1 . 1 104 104 ALA CB C 13 19.3215 0.0000 . 1 . . . . A 104 ALA CB . 30738 1 1022 . 1 . 1 104 104 ALA N N 15 119.4878 0.0000 . 1 . . . . A 104 ALA N . 30738 1 1023 . 1 . 1 105 105 ALA H H 1 8.0662 0.0000 . 1 . . . . A 105 ALA H . 30738 1 1024 . 1 . 1 105 105 ALA HA H 1 4.3297 0.0000 . 1 . . . . A 105 ALA HA . 30738 1 1025 . 1 . 1 105 105 ALA HB1 H 1 1.5744 0.0000 . 1 . . . . A 105 ALA HB1 . 30738 1 1026 . 1 . 1 105 105 ALA HB2 H 1 1.5744 0.0000 . 1 . . . . A 105 ALA HB2 . 30738 1 1027 . 1 . 1 105 105 ALA HB3 H 1 1.5744 0.0000 . 1 . . . . A 105 ALA HB3 . 30738 1 1028 . 1 . 1 105 105 ALA C C 13 178.4076 0.0000 . 1 . . . . A 105 ALA C . 30738 1 1029 . 1 . 1 105 105 ALA CA C 13 55.5200 0.0000 . 1 . . . . A 105 ALA CA . 30738 1 1030 . 1 . 1 105 105 ALA CB C 13 19.1421 0.0000 . 1 . . . . A 105 ALA CB . 30738 1 1031 . 1 . 1 105 105 ALA N N 15 120.8562 0.0000 . 1 . . . . A 105 ALA N . 30738 1 1032 . 1 . 1 106 106 ALA H H 1 8.1073 0.0000 . 1 . . . . A 106 ALA H . 30738 1 1033 . 1 . 1 106 106 ALA HA H 1 4.0873 0.0000 . 1 . . . . A 106 ALA HA . 30738 1 1034 . 1 . 1 106 106 ALA HB1 H 1 1.6193 0.0000 . 1 . . . . A 106 ALA HB1 . 30738 1 1035 . 1 . 1 106 106 ALA HB2 H 1 1.6193 0.0000 . 1 . . . . A 106 ALA HB2 . 30738 1 1036 . 1 . 1 106 106 ALA HB3 H 1 1.6193 0.0000 . 1 . . . . A 106 ALA HB3 . 30738 1 1037 . 1 . 1 106 106 ALA C C 13 175.9854 0.0000 . 1 . . . . A 106 ALA C . 30738 1 1038 . 1 . 1 106 106 ALA CA C 13 56.7356 0.0000 . 1 . . . . A 106 ALA CA . 30738 1 1039 . 1 . 1 106 106 ALA CB C 13 19.7431 0.0000 . 1 . . . . A 106 ALA CB . 30738 1 1040 . 1 . 1 106 106 ALA N N 15 121.5012 0.0000 . 1 . . . . A 106 ALA N . 30738 1 1041 . 1 . 1 107 107 GLU H H 1 8.7279 0.0000 . 1 . . . . A 107 GLU H . 30738 1 1042 . 1 . 1 107 107 GLU HA H 1 3.7992 0.0000 . 1 . . . . A 107 GLU HA . 30738 1 1043 . 1 . 1 107 107 GLU HB2 H 1 2.2644 0.0000 . 2 . . . . A 107 GLU HB2 . 30738 1 1044 . 1 . 1 107 107 GLU HG2 H 1 2.2827 0.0000 . 2 . . . . A 107 GLU HG2 . 30738 1 1045 . 1 . 1 107 107 GLU C C 13 176.2288 0.0000 . 1 . . . . A 107 GLU C . 30738 1 1046 . 1 . 1 107 107 GLU CA C 13 61.3714 0.0000 . 1 . . . . A 107 GLU CA . 30738 1 1047 . 1 . 1 107 107 GLU CB C 13 31.3883 0.0000 . 1 . . . . A 107 GLU CB . 30738 1 1048 . 1 . 1 107 107 GLU CG C 13 38.1880 0.0000 . 1 . . . . A 107 GLU CG . 30738 1 1049 . 1 . 1 107 107 GLU N N 15 118.5072 0.0000 . 1 . . . . A 107 GLU N . 30738 1 1050 . 1 . 1 108 108 ASN H H 1 8.0543 0.0000 . 1 . . . . A 108 ASN H . 30738 1 1051 . 1 . 1 108 108 ASN HA H 1 4.3876 0.0000 . 1 . . . . A 108 ASN HA . 30738 1 1052 . 1 . 1 108 108 ASN HB2 H 1 2.9430 0.0000 . 2 . . . . A 108 ASN HB2 . 30738 1 1053 . 1 . 1 108 108 ASN HD21 H 1 7.7260 0.0000 . 2 . . . . A 108 ASN HD21 . 30738 1 1054 . 1 . 1 108 108 ASN HD22 H 1 6.9862 0.0000 . 2 . . . . A 108 ASN HD22 . 30738 1 1055 . 1 . 1 108 108 ASN C C 13 174.9319 0.0000 . 1 . . . . A 108 ASN C . 30738 1 1056 . 1 . 1 108 108 ASN CA C 13 57.3303 0.0000 . 1 . . . . A 108 ASN CA . 30738 1 1057 . 1 . 1 108 108 ASN CB C 13 39.3480 0.0000 . 1 . . . . A 108 ASN CB . 30738 1 1058 . 1 . 1 108 108 ASN CG C 13 172.8956 0.0000 . 1 . . . . A 108 ASN CG . 30738 1 1059 . 1 . 1 108 108 ASN N N 15 118.2540 0.0000 . 1 . . . . A 108 ASN N . 30738 1 1060 . 1 . 1 108 108 ASN ND2 N 15 112.5490 0.0000 . 1 . . . . A 108 ASN ND2 . 30738 1 1061 . 1 . 1 109 109 MET H H 1 8.4458 0.0000 . 1 . . . . A 109 MET H . 30738 1 1062 . 1 . 1 109 109 MET HA H 1 4.1939 0.0000 . 1 . . . . A 109 MET HA . 30738 1 1063 . 1 . 1 109 109 MET HB2 H 1 2.1639 0.0000 . 2 . . . . A 109 MET HB2 . 30738 1 1064 . 1 . 1 109 109 MET HG2 H 1 2.3870 0.0000 . 2 . . . . A 109 MET HG2 . 30738 1 1065 . 1 . 1 109 109 MET HE1 H 1 1.0178 0.0000 . 1 . . . . A 109 MET HE1 . 30738 1 1066 . 1 . 1 109 109 MET HE2 H 1 1.0178 0.0000 . 1 . . . . A 109 MET HE2 . 30738 1 1067 . 1 . 1 109 109 MET HE3 H 1 1.0178 0.0000 . 1 . . . . A 109 MET HE3 . 30738 1 1068 . 1 . 1 109 109 MET C C 13 174.2374 0.0000 . 1 . . . . A 109 MET C . 30738 1 1069 . 1 . 1 109 109 MET CA C 13 59.3009 0.0000 . 1 . . . . A 109 MET CA . 30738 1 1070 . 1 . 1 109 109 MET CB C 13 33.4719 0.0000 . 1 . . . . A 109 MET CB . 30738 1 1071 . 1 . 1 109 109 MET CG C 13 37.1832 0.0000 . 1 . . . . A 109 MET CG . 30738 1 1072 . 1 . 1 109 109 MET CE C 13 18.5345 0.0000 . 1 . . . . A 109 MET CE . 30738 1 1073 . 1 . 1 109 109 MET N N 15 120.2659 0.0000 . 1 . . . . A 109 MET N . 30738 1 1074 . 1 . 1 110 110 TYR H H 1 8.6697 0.0000 . 1 . . . . A 110 TYR H . 30738 1 1075 . 1 . 1 110 110 TYR HA H 1 3.7149 0.0000 . 1 . . . . A 110 TYR HA . 30738 1 1076 . 1 . 1 110 110 TYR HB2 H 1 3.3791 0.0000 . 2 . . . . A 110 TYR HB2 . 30738 1 1077 . 1 . 1 110 110 TYR HB3 H 1 2.9955 0.0000 . 2 . . . . A 110 TYR HB3 . 30738 1 1078 . 1 . 1 110 110 TYR HD1 H 1 7.0562 0.0000 . 3 . . . . A 110 TYR HD1 . 30738 1 1079 . 1 . 1 110 110 TYR HE1 H 1 6.4356 0.0000 . 3 . . . . A 110 TYR HE1 . 30738 1 1080 . 1 . 1 110 110 TYR C C 13 174.0183 0.0000 . 1 . . . . A 110 TYR C . 30738 1 1081 . 1 . 1 110 110 TYR CA C 13 63.6120 0.0000 . 1 . . . . A 110 TYR CA . 30738 1 1082 . 1 . 1 110 110 TYR CB C 13 39.7059 0.0000 . 1 . . . . A 110 TYR CB . 30738 1 1083 . 1 . 1 110 110 TYR CD1 C 13 134.0049 0.0000 . 3 . . . . A 110 TYR CD1 . 30738 1 1084 . 1 . 1 110 110 TYR CE1 C 13 118.5518 0.0000 . 3 . . . . A 110 TYR CE1 . 30738 1 1085 . 1 . 1 110 110 TYR N N 15 120.6417 0.0000 . 1 . . . . A 110 TYR N . 30738 1 1086 . 1 . 1 111 111 SER H H 1 7.4352 0.0000 . 1 . . . . A 111 SER H . 30738 1 1087 . 1 . 1 111 111 SER HA H 1 4.5529 0.0000 . 1 . . . . A 111 SER HA . 30738 1 1088 . 1 . 1 111 111 SER HB2 H 1 4.1397 0.0000 . 2 . . . . A 111 SER HB2 . 30738 1 1089 . 1 . 1 111 111 SER C C 13 176.4401 0.0000 . 1 . . . . A 111 SER C . 30738 1 1090 . 1 . 1 111 111 SER CA C 13 61.8567 0.0000 . 1 . . . . A 111 SER CA . 30738 1 1091 . 1 . 1 111 111 SER CB C 13 63.8781 0.0000 . 1 . . . . A 111 SER CB . 30738 1 1092 . 1 . 1 111 111 SER N N 15 110.6246 0.0000 . 1 . . . . A 111 SER N . 30738 1 1093 . 1 . 1 112 112 GLN H H 1 8.8186 0.0000 . 1 . . . . A 112 GLN H . 30738 1 1094 . 1 . 1 112 112 GLN HA H 1 4.0512 0.0000 . 1 . . . . A 112 GLN HA . 30738 1 1095 . 1 . 1 112 112 GLN HB2 H 1 2.1985 0.0000 . 2 . . . . A 112 GLN HB2 . 30738 1 1096 . 1 . 1 112 112 GLN HG2 H 1 2.4239 0.0000 . 2 . . . . A 112 GLN HG2 . 30738 1 1097 . 1 . 1 112 112 GLN HE21 H 1 7.4981 0.0000 . 2 . . . . A 112 GLN HE21 . 30738 1 1098 . 1 . 1 112 112 GLN HE22 H 1 6.8045 0.0000 . 2 . . . . A 112 GLN HE22 . 30738 1 1099 . 1 . 1 112 112 GLN C C 13 175.7049 0.0000 . 1 . . . . A 112 GLN C . 30738 1 1100 . 1 . 1 112 112 GLN CA C 13 60.1150 0.0000 . 1 . . . . A 112 GLN CA . 30738 1 1101 . 1 . 1 112 112 GLN CB C 13 29.8294 0.0000 . 1 . . . . A 112 GLN CB . 30738 1 1102 . 1 . 1 112 112 GLN CG C 13 34.7777 0.0000 . 1 . . . . A 112 GLN CG . 30738 1 1103 . 1 . 1 112 112 GLN CD C 13 177.2162 0.0000 . 1 . . . . A 112 GLN CD . 30738 1 1104 . 1 . 1 112 112 GLN N N 15 125.3371 0.0000 . 1 . . . . A 112 GLN N . 30738 1 1105 . 1 . 1 112 112 GLN NE2 N 15 111.3403 0.0000 . 1 . . . . A 112 GLN NE2 . 30738 1 1106 . 1 . 1 113 113 MET H H 1 8.0813 0.0000 . 1 . . . . A 113 MET H . 30738 1 1107 . 1 . 1 113 113 MET HA H 1 4.3164 0.0000 . 1 . . . . A 113 MET HA . 30738 1 1108 . 1 . 1 113 113 MET HB2 H 1 2.1349 0.0000 . 2 . . . . A 113 MET HB2 . 30738 1 1109 . 1 . 1 113 113 MET HG2 H 1 2.6142 0.0000 . 2 . . . . A 113 MET HG2 . 30738 1 1110 . 1 . 1 113 113 MET HE1 H 1 2.1269 0.0000 . 1 . . . . A 113 MET HE1 . 30738 1 1111 . 1 . 1 113 113 MET HE2 H 1 2.1269 0.0000 . 1 . . . . A 113 MET HE2 . 30738 1 1112 . 1 . 1 113 113 MET HE3 H 1 2.1269 0.0000 . 1 . . . . A 113 MET HE3 . 30738 1 1113 . 1 . 1 113 113 MET C C 13 173.2649 0.0000 . 1 . . . . A 113 MET C . 30738 1 1114 . 1 . 1 113 113 MET CA C 13 57.0732 0.0000 . 1 . . . . A 113 MET CA . 30738 1 1115 . 1 . 1 113 113 MET CB C 13 34.3082 0.0000 . 1 . . . . A 113 MET CB . 30738 1 1116 . 1 . 1 113 113 MET CG C 13 33.5281 0.0000 . 1 . . . . A 113 MET CG . 30738 1 1117 . 1 . 1 113 113 MET CE C 13 17.8743 0.0000 . 1 . . . . A 113 MET CE . 30738 1 1118 . 1 . 1 113 113 MET N N 15 114.5725 0.0000 . 1 . . . . A 113 MET N . 30738 1 1119 . 1 . 1 114 114 GLY H H 1 8.0158 0.0000 . 1 . . . . A 114 GLY H . 30738 1 1120 . 1 . 1 114 114 GLY HA2 H 1 3.9912 0.0000 . 2 . . . . A 114 GLY HA2 . 30738 1 1121 . 1 . 1 114 114 GLY C C 13 173.2218 0.0000 . 1 . . . . A 114 GLY C . 30738 1 1122 . 1 . 1 114 114 GLY CA C 13 46.5740 0.0000 . 1 . . . . A 114 GLY CA . 30738 1 1123 . 1 . 1 114 114 GLY N N 15 107.4227 0.0000 . 1 . . . . A 114 GLY N . 30738 1 1124 . 1 . 1 115 115 LEU H H 1 7.5034 0.0000 . 1 . . . . A 115 LEU H . 30738 1 1125 . 1 . 1 115 115 LEU HA H 1 3.9104 0.0000 . 1 . . . . A 115 LEU HA . 30738 1 1126 . 1 . 1 115 115 LEU HB2 H 1 0.5663 0.0000 . 2 . . . . A 115 LEU HB2 . 30738 1 1127 . 1 . 1 115 115 LEU HG H 1 0.9364 0.0000 . 1 . . . . A 115 LEU HG . 30738 1 1128 . 1 . 1 115 115 LEU HD11 H 1 0.5982 0.0000 . 2 . . . . A 115 LEU HD11 . 30738 1 1129 . 1 . 1 115 115 LEU HD12 H 1 0.5982 0.0000 . 2 . . . . A 115 LEU HD12 . 30738 1 1130 . 1 . 1 115 115 LEU HD13 H 1 0.5982 0.0000 . 2 . . . . A 115 LEU HD13 . 30738 1 1131 . 1 . 1 115 115 LEU C C 13 174.6154 0.0000 . 1 . . . . A 115 LEU C . 30738 1 1132 . 1 . 1 115 115 LEU CA C 13 56.2467 0.0000 . 1 . . . . A 115 LEU CA . 30738 1 1133 . 1 . 1 115 115 LEU CB C 13 39.1539 0.0000 . 1 . . . . A 115 LEU CB . 30738 1 1134 . 1 . 1 115 115 LEU CG C 13 27.2280 0.0000 . 1 . . . . A 115 LEU CG . 30738 1 1135 . 1 . 1 115 115 LEU CD1 C 13 26.9984 0.0000 . 2 . . . . A 115 LEU CD1 . 30738 1 1136 . 1 . 1 115 115 LEU N N 15 115.0106 0.0000 . 1 . . . . A 115 LEU N . 30738 1 1137 . 1 . 1 116 116 ASP H H 1 8.5368 0.0000 . 1 . . . . A 116 ASP H . 30738 1 1138 . 1 . 1 116 116 ASP HA H 1 4.4342 0.0000 . 1 . . . . A 116 ASP HA . 30738 1 1139 . 1 . 1 116 116 ASP HB2 H 1 2.7064 0.0000 . 2 . . . . A 116 ASP HB2 . 30738 1 1140 . 1 . 1 116 116 ASP C C 13 173.0956 0.0000 . 1 . . . . A 116 ASP C . 30738 1 1141 . 1 . 1 116 116 ASP CA C 13 55.8381 0.0000 . 1 . . . . A 116 ASP CA . 30738 1 1142 . 1 . 1 116 116 ASP CB C 13 41.1413 0.0000 . 1 . . . . A 116 ASP CB . 30738 1 1143 . 1 . 1 116 116 ASP N N 15 116.6312 0.0000 . 1 . . . . A 116 ASP N . 30738 1 1144 . 1 . 1 117 117 THR H H 1 7.3011 0.0000 . 1 . . . . A 117 THR H . 30738 1 1145 . 1 . 1 117 117 THR HA H 1 4.2333 0.0000 . 1 . . . . A 117 THR HA . 30738 1 1146 . 1 . 1 117 117 THR HB H 1 4.0575 0.0000 . 1 . . . . A 117 THR HB . 30738 1 1147 . 1 . 1 117 117 THR HG21 H 1 1.1693 0.0000 . 1 . . . . A 117 THR HG21 . 30738 1 1148 . 1 . 1 117 117 THR HG22 H 1 1.1693 0.0000 . 1 . . . . A 117 THR HG22 . 30738 1 1149 . 1 . 1 117 117 THR HG23 H 1 1.1693 0.0000 . 1 . . . . A 117 THR HG23 . 30738 1 1150 . 1 . 1 117 117 THR C C 13 170.9154 0.0000 . 1 . . . . A 117 THR C . 30738 1 1151 . 1 . 1 117 117 THR CA C 13 62.1966 0.0000 . 1 . . . . A 117 THR CA . 30738 1 1152 . 1 . 1 117 117 THR CB C 13 70.8265 0.0000 . 1 . . . . A 117 THR CB . 30738 1 1153 . 1 . 1 117 117 THR CG2 C 13 22.3006 0.0000 . 1 . . . . A 117 THR CG2 . 30738 1 1154 . 1 . 1 117 117 THR N N 15 112.8356 0.0000 . 1 . . . . A 117 THR N . 30738 1 1155 . 1 . 1 118 118 ARG H H 1 8.7146 0.0000 . 1 . . . . A 118 ARG H . 30738 1 1156 . 1 . 1 118 118 ARG HA H 1 4.5794 0.0000 . 1 . . . . A 118 ARG HA . 30738 1 1157 . 1 . 1 118 118 ARG HB2 H 1 1.6322 0.0000 . 2 . . . . A 118 ARG HB2 . 30738 1 1158 . 1 . 1 118 118 ARG HG2 H 1 0.9294 0.0000 . 2 . . . . A 118 ARG HG2 . 30738 1 1159 . 1 . 1 118 118 ARG HD2 H 1 2.8440 0.0000 . 2 . . . . A 118 ARG HD2 . 30738 1 1160 . 1 . 1 118 118 ARG C C 13 172.5346 0.0000 . 1 . . . . A 118 ARG C . 30738 1 1161 . 1 . 1 118 118 ARG CA C 13 56.0960 0.0000 . 1 . . . . A 118 ARG CA . 30738 1 1162 . 1 . 1 118 118 ARG CB C 13 30.2838 0.0000 . 1 . . . . A 118 ARG CB . 30738 1 1163 . 1 . 1 118 118 ARG CG C 13 26.0827 0.0000 . 1 . . . . A 118 ARG CG . 30738 1 1164 . 1 . 1 118 118 ARG CD C 13 42.0131 0.0000 . 1 . . . . A 118 ARG CD . 30738 1 1165 . 1 . 1 118 118 ARG N N 15 125.4233 0.0000 . 1 . . . . A 118 ARG N . 30738 1 stop_ save_