data_5689 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5689 _Entry.Title ; 1H, 13C, and 15N backbone assignments of the pheromone binding protein from the silk moth Antheraea polyphemus (ApolPBP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-02-07 _Entry.Accession_date 2003-02-07 _Entry.Last_release_date 2003-02-07 _Entry.Original_release_date 2003-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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_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 Smita Mohanty . . . . 5689 2 Sergey Zubkov . . . . 5689 3 Ramon Campos-Olivas . . . . 5689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 548 5689 '15N chemical shifts' 147 5689 '1H chemical shifts' 939 5689 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 2 . . 2003-10-08 . original author 'original release' 5689 1 . . 2005-10-17 . update author 'update the chemical shift table' 5689 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4849 'Pheromone-binding protein from Bombyx mori' 5689 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5689 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22874487 _Citation.DOI . _Citation.PubMed_ID 14512737 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N Backbone Assignments of the Pheromone Binding Protein from the Silk Moth Antheraea polyphemus (ApolPBP) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 393 _Citation.Page_last 394 _Citation.Year 2003 _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 Smita Mohanty . . . . 5689 1 2 Sergey Zubkov . . . . 5689 1 3 Ramon Campos-Olivas . . . . 5689 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Antheraea polyphemus' 5689 1 PBP 5689 1 'pheromone-binding protein' 5689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ApolPBP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ApolPBP _Assembly.Entry_ID 5689 _Assembly.ID 1 _Assembly.Name 'Pheromone Binding Protein from Antheraea polyphemus' _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5689 1 stop_ 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 ApolPBP 1 $ApolPBP . . . native . . . . . 5689 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . . . 5689 1 2 disulfide single . 1 . 1 CYS 50 50 SG . 1 . 1 CYS 108 108 SG . . . . . . . . . . . . 5689 1 3 disulfide single . 1 . 1 CYS 97 97 SG . 1 . 1 CYS 117 117 SG . . . . . . . . . . . . 5689 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ApolPBP abbreviation 5689 1 'Pheromone Binding Protein from Antheraea polyphemus' system 5689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ApolPBP _Entity.Sf_category entity _Entity.Sf_framecode ApolPBP _Entity.Entry_ID 5689 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pheromone-binding protein from Antheraea polyphemus' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPEIMKNLSNNFGKAMDQCK DELSLPDSVVADLYNFWKDD YVMTDRLAGCAINCLATKLD VVDPDGNLHHGNAKDFAMKH GADETMAQQLVDIIHGCEKS APPNDDKCMKTIDVAMCFKK EIHKLNWVPNMDLVIGEVLA EV ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . BMRB 15256 . entity . . . . . 100.00 142 100.00 100.00 6.76e-78 . . . . 5689 1 . . PDB 1QWV . 'Solution Structure Of Antheraea Polyphemus Pheromone Binding Protein (Apolpbp)' . . . . . 100.00 142 100.00 100.00 6.76e-78 . . . . 5689 1 . . PDB 1TWO . 'Nmr Structure Of The Pheromone Binding Protein From Antheraea Polyphemus At Acidic Ph' . . . . . 100.00 142 100.00 100.00 6.76e-78 . . . . 5689 1 . . PDB 2JPO . 'Nmr Structure Of Antheraea Polyphemus Pheromone-Binding Protein 1 At Ph 4.5' . . . . . 100.00 142 100.00 100.00 6.76e-78 . . . . 5689 1 . . EMBL CAA35592 . 'pheromone binding protein [Antheraea polyphemus]' . . . . . 100.00 163 100.00 100.00 2.34e-78 . . . . 5689 1 . . GenBank AAB49502 . 'Aper-1=pheromone binding protein/PBP/Apol-3 homolog [Antheraea pernyi, Peptide, 142 aa]' . . . . . 100.00 142 100.00 100.00 6.76e-78 . . . . 5689 1 . . PRF 1515253A . 'pheromone binding protein' . . . . . 100.00 163 100.00 100.00 2.34e-78 . . . . 5689 1 . . SWISS-PROT P20797 . 'Pheromone-binding protein precursor (PBP)' . . . . . 100.00 163 100.00 100.00 2.34e-78 . . . . 5689 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ApolPBP abbreviation 5689 1 'Pheromone-binding protein from Antheraea polyphemus' common 5689 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 . SER . 5689 1 2 . PRO . 5689 1 3 . GLU . 5689 1 4 . ILE . 5689 1 5 . MET . 5689 1 6 . LYS . 5689 1 7 . ASN . 5689 1 8 . LEU . 5689 1 9 . SER . 5689 1 10 . ASN . 5689 1 11 . ASN . 5689 1 12 . PHE . 5689 1 13 . GLY . 5689 1 14 . LYS . 5689 1 15 . ALA . 5689 1 16 . MET . 5689 1 17 . ASP . 5689 1 18 . GLN . 5689 1 19 . CYS . 5689 1 20 . LYS . 5689 1 21 . ASP . 5689 1 22 . GLU . 5689 1 23 . LEU . 5689 1 24 . SER . 5689 1 25 . LEU . 5689 1 26 . PRO . 5689 1 27 . ASP . 5689 1 28 . SER . 5689 1 29 . VAL . 5689 1 30 . VAL . 5689 1 31 . ALA . 5689 1 32 . ASP . 5689 1 33 . LEU . 5689 1 34 . TYR . 5689 1 35 . ASN . 5689 1 36 . PHE . 5689 1 37 . TRP . 5689 1 38 . LYS . 5689 1 39 . ASP . 5689 1 40 . ASP . 5689 1 41 . TYR . 5689 1 42 . VAL . 5689 1 43 . MET . 5689 1 44 . THR . 5689 1 45 . ASP . 5689 1 46 . ARG . 5689 1 47 . LEU . 5689 1 48 . ALA . 5689 1 49 . GLY . 5689 1 50 . CYS . 5689 1 51 . ALA . 5689 1 52 . ILE . 5689 1 53 . ASN . 5689 1 54 . CYS . 5689 1 55 . LEU . 5689 1 56 . ALA . 5689 1 57 . THR . 5689 1 58 . LYS . 5689 1 59 . LEU . 5689 1 60 . ASP . 5689 1 61 . VAL . 5689 1 62 . VAL . 5689 1 63 . ASP . 5689 1 64 . PRO . 5689 1 65 . ASP . 5689 1 66 . GLY . 5689 1 67 . ASN . 5689 1 68 . LEU . 5689 1 69 . HIS . 5689 1 70 . HIS . 5689 1 71 . GLY . 5689 1 72 . ASN . 5689 1 73 . ALA . 5689 1 74 . LYS . 5689 1 75 . ASP . 5689 1 76 . PHE . 5689 1 77 . ALA . 5689 1 78 . MET . 5689 1 79 . LYS . 5689 1 80 . HIS . 5689 1 81 . GLY . 5689 1 82 . ALA . 5689 1 83 . ASP . 5689 1 84 . GLU . 5689 1 85 . THR . 5689 1 86 . MET . 5689 1 87 . ALA . 5689 1 88 . GLN . 5689 1 89 . GLN . 5689 1 90 . LEU . 5689 1 91 . VAL . 5689 1 92 . ASP . 5689 1 93 . ILE . 5689 1 94 . ILE . 5689 1 95 . HIS . 5689 1 96 . GLY . 5689 1 97 . CYS . 5689 1 98 . GLU . 5689 1 99 . LYS . 5689 1 100 . SER . 5689 1 101 . ALA . 5689 1 102 . PRO . 5689 1 103 . PRO . 5689 1 104 . ASN . 5689 1 105 . ASP . 5689 1 106 . ASP . 5689 1 107 . LYS . 5689 1 108 . CYS . 5689 1 109 . MET . 5689 1 110 . LYS . 5689 1 111 . THR . 5689 1 112 . ILE . 5689 1 113 . ASP . 5689 1 114 . VAL . 5689 1 115 . ALA . 5689 1 116 . MET . 5689 1 117 . CYS . 5689 1 118 . PHE . 5689 1 119 . LYS . 5689 1 120 . LYS . 5689 1 121 . GLU . 5689 1 122 . ILE . 5689 1 123 . HIS . 5689 1 124 . LYS . 5689 1 125 . LEU . 5689 1 126 . ASN . 5689 1 127 . TRP . 5689 1 128 . VAL . 5689 1 129 . PRO . 5689 1 130 . ASN . 5689 1 131 . MET . 5689 1 132 . ASP . 5689 1 133 . LEU . 5689 1 134 . VAL . 5689 1 135 . ILE . 5689 1 136 . GLY . 5689 1 137 . GLU . 5689 1 138 . VAL . 5689 1 139 . LEU . 5689 1 140 . ALA . 5689 1 141 . GLU . 5689 1 142 . VAL . 5689 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 . SER 1 1 5689 1 . PRO 2 2 5689 1 . GLU 3 3 5689 1 . ILE 4 4 5689 1 . MET 5 5 5689 1 . LYS 6 6 5689 1 . ASN 7 7 5689 1 . LEU 8 8 5689 1 . SER 9 9 5689 1 . ASN 10 10 5689 1 . ASN 11 11 5689 1 . PHE 12 12 5689 1 . GLY 13 13 5689 1 . LYS 14 14 5689 1 . ALA 15 15 5689 1 . MET 16 16 5689 1 . ASP 17 17 5689 1 . GLN 18 18 5689 1 . CYS 19 19 5689 1 . LYS 20 20 5689 1 . ASP 21 21 5689 1 . GLU 22 22 5689 1 . LEU 23 23 5689 1 . SER 24 24 5689 1 . LEU 25 25 5689 1 . PRO 26 26 5689 1 . ASP 27 27 5689 1 . SER 28 28 5689 1 . VAL 29 29 5689 1 . VAL 30 30 5689 1 . ALA 31 31 5689 1 . ASP 32 32 5689 1 . LEU 33 33 5689 1 . TYR 34 34 5689 1 . ASN 35 35 5689 1 . PHE 36 36 5689 1 . TRP 37 37 5689 1 . LYS 38 38 5689 1 . ASP 39 39 5689 1 . ASP 40 40 5689 1 . TYR 41 41 5689 1 . VAL 42 42 5689 1 . MET 43 43 5689 1 . THR 44 44 5689 1 . ASP 45 45 5689 1 . ARG 46 46 5689 1 . LEU 47 47 5689 1 . ALA 48 48 5689 1 . GLY 49 49 5689 1 . CYS 50 50 5689 1 . ALA 51 51 5689 1 . ILE 52 52 5689 1 . ASN 53 53 5689 1 . CYS 54 54 5689 1 . LEU 55 55 5689 1 . ALA 56 56 5689 1 . THR 57 57 5689 1 . LYS 58 58 5689 1 . LEU 59 59 5689 1 . ASP 60 60 5689 1 . VAL 61 61 5689 1 . VAL 62 62 5689 1 . ASP 63 63 5689 1 . PRO 64 64 5689 1 . ASP 65 65 5689 1 . GLY 66 66 5689 1 . ASN 67 67 5689 1 . LEU 68 68 5689 1 . HIS 69 69 5689 1 . HIS 70 70 5689 1 . GLY 71 71 5689 1 . ASN 72 72 5689 1 . ALA 73 73 5689 1 . LYS 74 74 5689 1 . ASP 75 75 5689 1 . PHE 76 76 5689 1 . ALA 77 77 5689 1 . MET 78 78 5689 1 . LYS 79 79 5689 1 . HIS 80 80 5689 1 . GLY 81 81 5689 1 . ALA 82 82 5689 1 . ASP 83 83 5689 1 . GLU 84 84 5689 1 . THR 85 85 5689 1 . MET 86 86 5689 1 . ALA 87 87 5689 1 . GLN 88 88 5689 1 . GLN 89 89 5689 1 . LEU 90 90 5689 1 . VAL 91 91 5689 1 . ASP 92 92 5689 1 . ILE 93 93 5689 1 . ILE 94 94 5689 1 . HIS 95 95 5689 1 . GLY 96 96 5689 1 . CYS 97 97 5689 1 . GLU 98 98 5689 1 . LYS 99 99 5689 1 . SER 100 100 5689 1 . ALA 101 101 5689 1 . PRO 102 102 5689 1 . PRO 103 103 5689 1 . ASN 104 104 5689 1 . ASP 105 105 5689 1 . ASP 106 106 5689 1 . LYS 107 107 5689 1 . CYS 108 108 5689 1 . MET 109 109 5689 1 . LYS 110 110 5689 1 . THR 111 111 5689 1 . ILE 112 112 5689 1 . ASP 113 113 5689 1 . VAL 114 114 5689 1 . ALA 115 115 5689 1 . MET 116 116 5689 1 . CYS 117 117 5689 1 . PHE 118 118 5689 1 . LYS 119 119 5689 1 . LYS 120 120 5689 1 . GLU 121 121 5689 1 . ILE 122 122 5689 1 . HIS 123 123 5689 1 . LYS 124 124 5689 1 . LEU 125 125 5689 1 . ASN 126 126 5689 1 . TRP 127 127 5689 1 . VAL 128 128 5689 1 . PRO 129 129 5689 1 . ASN 130 130 5689 1 . MET 131 131 5689 1 . ASP 132 132 5689 1 . LEU 133 133 5689 1 . VAL 134 134 5689 1 . ILE 135 135 5689 1 . GLY 136 136 5689 1 . GLU 137 137 5689 1 . VAL 138 138 5689 1 . LEU 139 139 5689 1 . ALA 140 140 5689 1 . GLU 141 141 5689 1 . VAL 142 142 5689 1 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 5689 _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 $ApolPBP . 7120 . . 'Antheraea polyphemus' 'Polyphemus moth' . . Eukaryota Metazoa Antheraea polyphemus . . 'antennal hair' . . . . . . . . . . 5689 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 5689 _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 $ApolPBP . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli XA-90 . . . . . pHN1+ . . . 5689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5689 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Pheromone-binding protein from Antheraea polyphemus' '[U-99% 13C; U-99% 15N]' . . 1 $ApolPBP . . 1.0 . . mM . . . . 5689 1 stop_ save_ ####################### # Sample conditions # ####################### save_backbone_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode backbone_conditions _Sample_condition_list.Entry_ID 5689 _Sample_condition_list.ID 1 _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 pH 6.33 0.02 n/a 5689 1 temperature 308 0.2 K 5689 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5689 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 2.1 _Software.DOI . _Software.Details ; F. Delaglio, S. Grzesiek, G. Vuister, G. Zhu, J. Pfeifer, and A. Bax J. Biomol. NMR, 6 (1995) 277-293. ; save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5689 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details ; B. A. Johnson and R. A. Blevins, J. Biomol. NMR 4:603-614. ; 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 5689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5689 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5689 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5689 _NMR_spectrometer_list.ID 1 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 . 500 . . . 5689 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5689 1 3 NMR_spectrometer_3 Bruker DRX . 800 . . . 5689 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 5689 _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-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 2 '2D 1H-13C HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 3 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 5 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 6 '3D CC(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 7 '3D HCACO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 8 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 9 '3D 1H-15N-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 10 '3D 1H-13C-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5689 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5689 _Chem_shift_reference.ID 1 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5689 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5689 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5689 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_backbone_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode backbone_set _Assigned_chem_shift_list.Entry_ID 5689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $backbone_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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-15N HSQC' 1 $sample_1 . 5689 1 2 '2D 1H-13C HMQC' 1 $sample_1 . 5689 1 3 '3D HNCA' 1 $sample_1 . 5689 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 5689 1 5 '3D HNCO' 1 $sample_1 . 5689 1 6 '3D CC(CO)NH' 1 $sample_1 . 5689 1 7 '3D HCACO' 1 $sample_1 . 5689 1 8 '3D HNCACB' 1 $sample_1 . 5689 1 9 '3D 1H-15N-1H NOESY' 1 $sample_1 . 5689 1 10 '3D 1H-13C-1H NOESY' 1 $sample_1 . 5689 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.330 0.05 . 1 . . . . . . . . . 5689 1 2 . 1 1 2 2 PRO CA C 13 65.281 0.2 . 1 . . . . . . . . . 5689 1 3 . 1 1 2 2 PRO HA H 1 3.991 0.05 . 1 . . . . . . . . . 5689 1 4 . 1 1 2 2 PRO CB C 13 31.586 0.2 . 1 . . . . . . . . . 5689 1 5 . 1 1 2 2 PRO HB2 H 1 2.238 0.05 . 1 . . . . . . . . . 5689 1 6 . 1 1 2 2 PRO HB3 H 1 2.238 0.05 . 1 . . . . . . . . . 5689 1 7 . 1 1 2 2 PRO HG2 H 1 1.779 0.05 . 1 . . . . . . . . . 5689 1 8 . 1 1 2 2 PRO HG3 H 1 1.779 0.05 . 1 . . . . . . . . . 5689 1 9 . 1 1 2 2 PRO CD C 13 50.895 0.2 . 1 . . . . . . . . . 5689 1 10 . 1 1 2 2 PRO HD2 H 1 3.791 0.05 . 1 . . . . . . . . . 5689 1 11 . 1 1 2 2 PRO HD3 H 1 3.791 0.05 . 1 . . . . . . . . . 5689 1 12 . 1 1 2 2 PRO C C 13 177.135 0.2 . 1 . . . . . . . . . 5689 1 13 . 1 1 3 3 GLU N N 15 117.362 0.1 . 1 . . . . . . . . . 5689 1 14 . 1 1 3 3 GLU H H 1 7.821 0.05 . 1 . . . . . . . . . 5689 1 15 . 1 1 3 3 GLU CA C 13 59.510 0.2 . 1 . . . . . . . . . 5689 1 16 . 1 1 3 3 GLU HA H 1 4.001 0.05 . 1 . . . . . . . . . 5689 1 17 . 1 1 3 3 GLU CB C 13 29.316 0.2 . 1 . . . . . . . . . 5689 1 18 . 1 1 3 3 GLU CG C 13 36.633 0.2 . 1 . . . . . . . . . 5689 1 19 . 1 1 3 3 GLU HG2 H 1 2.307 0.05 . 1 . . . . . . . . . 5689 1 20 . 1 1 3 3 GLU HG3 H 1 2.307 0.05 . 1 . . . . . . . . . 5689 1 21 . 1 1 3 3 GLU C C 13 179.051 0.2 . 1 . . . . . . . . . 5689 1 22 . 1 1 4 4 ILE N N 15 121.025 0.05 . 1 . . . . . . . . . 5689 1 23 . 1 1 4 4 ILE H H 1 7.576 0.01 . 1 . . . . . . . . . 5689 1 24 . 1 1 4 4 ILE CA C 13 64.324 0.05 . 1 . . . . . . . . . 5689 1 25 . 1 1 4 4 ILE HA H 1 3.868 0.01 . 1 . . . . . . . . . 5689 1 26 . 1 1 4 4 ILE CB C 13 37.629 0.05 . 1 . . . . . . . . . 5689 1 27 . 1 1 4 4 ILE HB H 1 1.704 0.01 . 1 . . . . . . . . . 5689 1 28 . 1 1 4 4 ILE CG1 C 13 28.474 0.05 . 1 . . . . . . . . . 5689 1 29 . 1 1 4 4 ILE HG12 H 1 1.081 0.01 . 1 . . . . . . . . . 5689 1 30 . 1 1 4 4 ILE HG13 H 1 1.081 0.01 . 1 . . . . . . . . . 5689 1 31 . 1 1 4 4 ILE HD11 H 1 0.754 0.01 . 1 . . . . . . . . . 5689 1 32 . 1 1 4 4 ILE HD12 H 1 0.754 0.01 . 1 . . . . . . . . . 5689 1 33 . 1 1 4 4 ILE HD13 H 1 0.754 0.01 . 1 . . . . . . . . . 5689 1 34 . 1 1 4 4 ILE HG21 H 1 0.754 0.01 . 1 . . . . . . . . . 5689 1 35 . 1 1 4 4 ILE HG22 H 1 0.754 0.01 . 1 . . . . . . . . . 5689 1 36 . 1 1 4 4 ILE HG23 H 1 0.754 0.01 . 1 . . . . . . . . . 5689 1 37 . 1 1 4 4 ILE C C 13 178.450 0.05 . 1 . . . . . . . . . 5689 1 38 . 1 1 5 5 MET N N 15 117.588 0.1 . 1 . . . . . . . . . 5689 1 39 . 1 1 5 5 MET H H 1 7.972 0.05 . 1 . . . . . . . . . 5689 1 40 . 1 1 5 5 MET CA C 13 58.054 0.2 . 1 . . . . . . . . . 5689 1 41 . 1 1 5 5 MET HA H 1 4.005 0.05 . 1 . . . . . . . . . 5689 1 42 . 1 1 5 5 MET CB C 13 32.082 0.2 . 1 . . . . . . . . . 5689 1 43 . 1 1 5 5 MET HB2 H 1 2.110 0.05 . 1 . . . . . . . . . 5689 1 44 . 1 1 5 5 MET HB3 H 1 2.110 0.05 . 1 . . . . . . . . . 5689 1 45 . 1 1 5 5 MET HG2 H 1 2.265 0.05 . 1 . . . . . . . . . 5689 1 46 . 1 1 5 5 MET HG3 H 1 2.265 0.05 . 1 . . . . . . . . . 5689 1 47 . 1 1 5 5 MET HE1 H 1 1.616 0.05 . 1 . . . . . . . . . 5689 1 48 . 1 1 5 5 MET HE2 H 1 1.616 0.05 . 1 . . . . . . . . . 5689 1 49 . 1 1 5 5 MET HE3 H 1 1.616 0.05 . 1 . . . . . . . . . 5689 1 50 . 1 1 5 5 MET C C 13 179.400 0.2 . 1 . . . . . . . . . 5689 1 51 . 1 1 6 6 LYS N N 15 116.718 0.1 . 1 . . . . . . . . . 5689 1 52 . 1 1 6 6 LYS H H 1 7.885 0.05 . 1 . . . . . . . . . 5689 1 53 . 1 1 6 6 LYS CA C 13 56.697 0.2 . 1 . . . . . . . . . 5689 1 54 . 1 1 6 6 LYS CB C 13 29.719 0.2 . 1 . . . . . . . . . 5689 1 55 . 1 1 6 6 LYS HG2 H 1 1.361 0.05 . 1 . . . . . . . . . 5689 1 56 . 1 1 6 6 LYS HG3 H 1 1.361 0.05 . 1 . . . . . . . . . 5689 1 57 . 1 1 6 6 LYS C C 13 175.100 0.2 . 1 . . . . . . . . . 5689 1 58 . 1 1 7 7 ASN N N 15 117.406 0.1 . 1 . . . . . . . . . 5689 1 59 . 1 1 7 7 ASN H H 1 7.767 0.05 . 1 . . . . . . . . . 5689 1 60 . 1 1 7 7 ASN CA C 13 53.329 0.2 . 1 . . . . . . . . . 5689 1 61 . 1 1 7 7 ASN CB C 13 39.155 0.2 . 1 . . . . . . . . . 5689 1 62 . 1 1 7 7 ASN C C 13 173.644 0.2 . 1 . . . . . . . . . 5689 1 63 . 1 1 8 8 LEU N N 15 118.599 0.1 . 1 . . . . . . . . . 5689 1 64 . 1 1 8 8 LEU H H 1 7.085 0.05 . 1 . . . . . . . . . 5689 1 65 . 1 1 8 8 LEU CA C 13 61.045 0.2 . 1 . . . . . . . . . 5689 1 66 . 1 1 8 8 LEU CB C 13 40.788 0.2 . 1 . . . . . . . . . 5689 1 67 . 1 1 8 8 LEU HD11 H 1 0.916 0.05 . 2 . . . . . . . . . 5689 1 68 . 1 1 8 8 LEU HD12 H 1 0.916 0.05 . 2 . . . . . . . . . 5689 1 69 . 1 1 8 8 LEU HD13 H 1 0.916 0.05 . 2 . . . . . . . . . 5689 1 70 . 1 1 8 8 LEU HD21 H 1 0.698 0.05 . 2 . . . . . . . . . 5689 1 71 . 1 1 8 8 LEU HD22 H 1 0.698 0.05 . 2 . . . . . . . . . 5689 1 72 . 1 1 8 8 LEU HD23 H 1 0.698 0.05 . 2 . . . . . . . . . 5689 1 73 . 1 1 10 10 ASN CA C 13 55.640 0.2 . 1 . . . . . . . . . 5689 1 74 . 1 1 10 10 ASN HA H 1 4.500 0.05 . 1 . . . . . . . . . 5689 1 75 . 1 1 10 10 ASN CB C 13 38.828 0.2 . 1 . . . . . . . . . 5689 1 76 . 1 1 10 10 ASN CG C 13 176.035 0.2 . 1 . . . . . . . . . 5689 1 77 . 1 1 10 10 ASN ND2 N 15 113.786 0.1 . 1 . . . . . . . . . 5689 1 78 . 1 1 10 10 ASN HD21 H 1 7.727 0.05 . 2 . . . . . . . . . 5689 1 79 . 1 1 10 10 ASN HD22 H 1 7.302 0.05 . 2 . . . . . . . . . 5689 1 80 . 1 1 10 10 ASN C C 13 175.356 0.2 . 1 . . . . . . . . . 5689 1 81 . 1 1 11 11 ASN N N 15 115.896 0.1 . 1 . . . . . . . . . 5689 1 82 . 1 1 11 11 ASN H H 1 7.877 0.05 . 1 . . . . . . . . . 5689 1 83 . 1 1 11 11 ASN CA C 13 57.249 0.2 . 1 . . . . . . . . . 5689 1 84 . 1 1 11 11 ASN HA H 1 4.421 0.05 . 1 . . . . . . . . . 5689 1 85 . 1 1 11 11 ASN CB C 13 39.050 0.2 . 1 . . . . . . . . . 5689 1 86 . 1 1 11 11 ASN HB2 H 1 3.138 0.05 . 2 . . . . . . . . . 5689 1 87 . 1 1 11 11 ASN HB3 H 1 3.045 0.05 . 2 . . . . . . . . . 5689 1 88 . 1 1 11 11 ASN ND2 N 15 114.821 0.2 . 1 . . . . . . . . . 5689 1 89 . 1 1 11 11 ASN HD21 H 1 6.946 0.05 . 2 . . . . . . . . . 5689 1 90 . 1 1 11 11 ASN HD22 H 1 7.775 0.05 . 2 . . . . . . . . . 5689 1 91 . 1 1 11 11 ASN C C 13 176.935 0.2 . 1 . . . . . . . . . 5689 1 92 . 1 1 12 12 PHE N N 15 123.879 0.05 . 1 . . . . . . . . . 5689 1 93 . 1 1 12 12 PHE H H 1 8.839 0.01 . 1 . . . . . . . . . 5689 1 94 . 1 1 12 12 PHE CA C 13 60.832 0.05 . 1 . . . . . . . . . 5689 1 95 . 1 1 12 12 PHE HA H 1 4.187 0.01 . 1 . . . . . . . . . 5689 1 96 . 1 1 12 12 PHE CB C 13 39.818 0.05 . 1 . . . . . . . . . 5689 1 97 . 1 1 12 12 PHE HB2 H 1 3.321 0.01 . 2 . . . . . . . . . 5689 1 98 . 1 1 12 12 PHE HB3 H 1 3.170 0.01 . 2 . . . . . . . . . 5689 1 99 . 1 1 12 12 PHE HD1 H 1 6.754 0.01 . 1 . . . . . . . . . 5689 1 100 . 1 1 12 12 PHE HE1 H 1 6.754 0.01 . 1 . . . . . . . . . 5689 1 101 . 1 1 12 12 PHE HZ H 1 7.163 0.01 . 1 . . . . . . . . . 5689 1 102 . 1 1 12 12 PHE HE2 H 1 6.754 0.01 . 1 . . . . . . . . . 5689 1 103 . 1 1 12 12 PHE HD2 H 1 6.754 0.01 . 1 . . . . . . . . . 5689 1 104 . 1 1 12 12 PHE C C 13 175.787 0.05 . 1 . . . . . . . . . 5689 1 105 . 1 1 13 13 GLY N N 15 100.280 0.05 . 1 . . . . . . . . . 5689 1 106 . 1 1 13 13 GLY H H 1 7.651 0.01 . 1 . . . . . . . . . 5689 1 107 . 1 1 13 13 GLY CA C 13 45.511 0.05 . 1 . . . . . . . . . 5689 1 108 . 1 1 13 13 GLY HA2 H 1 3.874 0.01 . 2 . . . . . . . . . 5689 1 109 . 1 1 13 13 GLY HA3 H 1 4.085 0.01 . 2 . . . . . . . . . 5689 1 110 . 1 1 13 13 GLY C C 13 175.276 0.05 . 1 . . . . . . . . . 5689 1 111 . 1 1 14 14 LYS N N 15 120.979 0.05 . 1 . . . . . . . . . 5689 1 112 . 1 1 14 14 LYS H H 1 7.119 0.01 . 1 . . . . . . . . . 5689 1 113 . 1 1 14 14 LYS CA C 13 59.723 0.05 . 1 . . . . . . . . . 5689 1 114 . 1 1 14 14 LYS HA H 1 4.120 0.01 . 1 . . . . . . . . . 5689 1 115 . 1 1 14 14 LYS CB C 13 32.474 0.05 . 1 . . . . . . . . . 5689 1 116 . 1 1 14 14 LYS HB2 H 1 1.945 0.01 . 2 . . . . . . . . . 5689 1 117 . 1 1 14 14 LYS HB3 H 1 2.083 0.01 . 2 . . . . . . . . . 5689 1 118 . 1 1 14 14 LYS CG C 13 25.145 0.05 . 1 . . . . . . . . . 5689 1 119 . 1 1 14 14 LYS CD C 13 29.096 0.05 . 1 . . . . . . . . . 5689 1 120 . 1 1 14 14 LYS HD2 H 1 1.639 0.01 . 1 . . . . . . . . . 5689 1 121 . 1 1 14 14 LYS HD3 H 1 1.639 0.01 . 1 . . . . . . . . . 5689 1 122 . 1 1 14 14 LYS HE2 H 1 2.976 0.01 . 1 . . . . . . . . . 5689 1 123 . 1 1 14 14 LYS HE3 H 1 2.976 0.01 . 1 . . . . . . . . . 5689 1 124 . 1 1 14 14 LYS C C 13 177.362 0.05 . 1 . . . . . . . . . 5689 1 125 . 1 1 15 15 ALA N N 15 118.305 0.05 . 1 . . . . . . . . . 5689 1 126 . 1 1 15 15 ALA H H 1 7.579 0.01 . 1 . . . . . . . . . 5689 1 127 . 1 1 15 15 ALA CA C 13 51.589 0.05 . 1 . . . . . . . . . 5689 1 128 . 1 1 15 15 ALA HA H 1 4.788 0.01 . 1 . . . . . . . . . 5689 1 129 . 1 1 15 15 ALA CB C 13 17.833 0.05 . 1 . . . . . . . . . 5689 1 130 . 1 1 15 15 ALA HB1 H 1 1.363 0.01 . 1 . . . . . . . . . 5689 1 131 . 1 1 15 15 ALA HB2 H 1 1.363 0.01 . 1 . . . . . . . . . 5689 1 132 . 1 1 15 15 ALA HB3 H 1 1.363 0.01 . 1 . . . . . . . . . 5689 1 133 . 1 1 15 15 ALA C C 13 176.810 0.05 . 1 . . . . . . . . . 5689 1 134 . 1 1 16 16 MET N N 15 120.700 0.05 . 1 . . . . . . . . . 5689 1 135 . 1 1 16 16 MET H H 1 7.643 0.01 . 1 . . . . . . . . . 5689 1 136 . 1 1 16 16 MET CA C 13 58.965 0.05 . 1 . . . . . . . . . 5689 1 137 . 1 1 16 16 MET HA H 1 3.984 0.01 . 1 . . . . . . . . . 5689 1 138 . 1 1 16 16 MET CB C 13 32.593 0.05 . 1 . . . . . . . . . 5689 1 139 . 1 1 16 16 MET HB2 H 1 2.165 0.03 . 1 . . . . . . . . . 5689 1 140 . 1 1 16 16 MET HB3 H 1 2.165 0.03 . 1 . . . . . . . . . 5689 1 141 . 1 1 16 16 MET HG2 H 1 2.165 0.03 . 1 . . . . . . . . . 5689 1 142 . 1 1 16 16 MET HG3 H 1 2.165 0.03 . 1 . . . . . . . . . 5689 1 143 . 1 1 16 16 MET C C 13 177.272 0.05 . 1 . . . . . . . . . 5689 1 144 . 1 1 17 17 ASP N N 15 117.881 0.05 . 1 . . . . . . . . . 5689 1 145 . 1 1 17 17 ASP H H 1 8.772 0.01 . 1 . . . . . . . . . 5689 1 146 . 1 1 17 17 ASP CA C 13 57.680 0.05 . 1 . . . . . . . . . 5689 1 147 . 1 1 17 17 ASP HA H 1 4.281 0.01 . 1 . . . . . . . . . 5689 1 148 . 1 1 17 17 ASP CB C 13 39.608 0.05 . 1 . . . . . . . . . 5689 1 149 . 1 1 17 17 ASP HB2 H 1 2.664 0.01 . 2 . . . . . . . . . 5689 1 150 . 1 1 17 17 ASP HB3 H 1 2.684 0.01 . 2 . . . . . . . . . 5689 1 151 . 1 1 17 17 ASP C C 13 178.467 0.05 . 1 . . . . . . . . . 5689 1 152 . 1 1 18 18 GLN N N 15 119.604 0.05 . 1 . . . . . . . . . 5689 1 153 . 1 1 18 18 GLN H H 1 7.686 0.01 . 1 . . . . . . . . . 5689 1 154 . 1 1 18 18 GLN CA C 13 58.757 0.05 . 1 . . . . . . . . . 5689 1 155 . 1 1 18 18 GLN HA H 1 4.240 0.01 . 1 . . . . . . . . . 5689 1 156 . 1 1 18 18 GLN CB C 13 28.544 0.05 . 1 . . . . . . . . . 5689 1 157 . 1 1 18 18 GLN HB2 H 1 2.115 0.01 . 2 . . . . . . . . . 5689 1 158 . 1 1 18 18 GLN HB3 H 1 2.089 0.01 . 2 . . . . . . . . . 5689 1 159 . 1 1 18 18 GLN CG C 13 33.387 0.05 . 1 . . . . . . . . . 5689 1 160 . 1 1 18 18 GLN HG2 H 1 2.347 0.01 . 2 . . . . . . . . . 5689 1 161 . 1 1 18 18 GLN HG3 H 1 2.456 0.01 . 2 . . . . . . . . . 5689 1 162 . 1 1 18 18 GLN CD C 13 180.161 0.05 . 1 . . . . . . . . . 5689 1 163 . 1 1 18 18 GLN NE2 N 15 111.313 0.05 . 1 . . . . . . . . . 5689 1 164 . 1 1 18 18 GLN HE21 H 1 7.706 0.01 . 2 . . . . . . . . . 5689 1 165 . 1 1 18 18 GLN HE22 H 1 6.810 0.01 . 2 . . . . . . . . . 5689 1 166 . 1 1 18 18 GLN C C 13 178.804 0.05 . 1 . . . . . . . . . 5689 1 167 . 1 1 19 19 CYS N N 15 117.520 0.05 . 1 . . . . . . . . . 5689 1 168 . 1 1 19 19 CYS H H 1 8.213 0.01 . 1 . . . . . . . . . 5689 1 169 . 1 1 19 19 CYS CA C 13 59.621 0.05 . 1 . . . . . . . . . 5689 1 170 . 1 1 19 19 CYS HA H 1 4.235 0.01 . 1 . . . . . . . . . 5689 1 171 . 1 1 19 19 CYS CB C 13 41.186 0.05 . 1 . . . . . . . . . 5689 1 172 . 1 1 19 19 CYS HB2 H 1 2.582 0.01 . 2 . . . . . . . . . 5689 1 173 . 1 1 19 19 CYS HB3 H 1 2.975 0.01 . 2 . . . . . . . . . 5689 1 174 . 1 1 19 19 CYS C C 13 175.708 0.05 . 1 . . . . . . . . . 5689 1 175 . 1 1 20 20 LYS N N 15 121.307 0.05 . 1 . . . . . . . . . 5689 1 176 . 1 1 20 20 LYS H H 1 9.085 0.01 . 1 . . . . . . . . . 5689 1 177 . 1 1 20 20 LYS CA C 13 60.403 0.05 . 1 . . . . . . . . . 5689 1 178 . 1 1 20 20 LYS HA H 1 3.701 0.01 . 1 . . . . . . . . . 5689 1 179 . 1 1 20 20 LYS CB C 13 32.132 0.05 . 1 . . . . . . . . . 5689 1 180 . 1 1 20 20 LYS HB2 H 1 2.094 0.01 . 2 . . . . . . . . . 5689 1 181 . 1 1 20 20 LYS HB3 H 1 1.868 0.01 . 2 . . . . . . . . . 5689 1 182 . 1 1 20 20 LYS CG C 13 24.975 0.05 . 1 . . . . . . . . . 5689 1 183 . 1 1 20 20 LYS HG2 H 1 1.203 0.01 . 1 . . . . . . . . . 5689 1 184 . 1 1 20 20 LYS HG3 H 1 1.203 0.01 . 1 . . . . . . . . . 5689 1 185 . 1 1 20 20 LYS CD C 13 29.715 0.05 . 1 . . . . . . . . . 5689 1 186 . 1 1 20 20 LYS HD2 H 1 1.731 0.01 . 1 . . . . . . . . . 5689 1 187 . 1 1 20 20 LYS HD3 H 1 1.731 0.01 . 1 . . . . . . . . . 5689 1 188 . 1 1 20 20 LYS CE C 13 42.210 0.05 . 1 . . . . . . . . . 5689 1 189 . 1 1 20 20 LYS HE2 H 1 3.002 0.01 . 1 . . . . . . . . . 5689 1 190 . 1 1 20 20 LYS HE3 H 1 3.002 0.01 . 1 . . . . . . . . . 5689 1 191 . 1 1 20 20 LYS C C 13 178.148 0.05 . 1 . . . . . . . . . 5689 1 192 . 1 1 21 21 ASP N N 15 117.812 0.05 . 1 . . . . . . . . . 5689 1 193 . 1 1 21 21 ASP H H 1 7.423 0.01 . 1 . . . . . . . . . 5689 1 194 . 1 1 21 21 ASP CA C 13 57.082 0.05 . 1 . . . . . . . . . 5689 1 195 . 1 1 21 21 ASP HA H 1 4.522 0.01 . 1 . . . . . . . . . 5689 1 196 . 1 1 21 21 ASP CB C 13 41.054 0.05 . 1 . . . . . . . . . 5689 1 197 . 1 1 21 21 ASP HB2 H 1 2.787 0.01 . 2 . . . . . . . . . 5689 1 198 . 1 1 21 21 ASP HB3 H 1 2.810 0.01 . 2 . . . . . . . . . 5689 1 199 . 1 1 21 21 ASP C C 13 175.679 0.05 . 1 . . . . . . . . . 5689 1 200 . 1 1 22 22 GLU N N 15 119.524 0.05 . 1 . . . . . . . . . 5689 1 201 . 1 1 22 22 GLU H H 1 8.537 0.01 . 1 . . . . . . . . . 5689 1 202 . 1 1 22 22 GLU CA C 13 59.331 0.05 . 1 . . . . . . . . . 5689 1 203 . 1 1 22 22 GLU HA H 1 3.994 0.01 . 1 . . . . . . . . . 5689 1 204 . 1 1 22 22 GLU CB C 13 30.432 0.05 . 1 . . . . . . . . . 5689 1 205 . 1 1 22 22 GLU HB2 H 1 2.098 0.01 . 2 . . . . . . . . . 5689 1 206 . 1 1 22 22 GLU HB3 H 1 2.008 0.01 . 2 . . . . . . . . . 5689 1 207 . 1 1 22 22 GLU CG C 13 36.555 0.05 . 1 . . . . . . . . . 5689 1 208 . 1 1 22 22 GLU HG2 H 1 2.507 0.01 . 2 . . . . . . . . . 5689 1 209 . 1 1 22 22 GLU HG3 H 1 2.246 0.01 . 2 . . . . . . . . . 5689 1 210 . 1 1 22 22 GLU C C 13 178.790 0.05 . 1 . . . . . . . . . 5689 1 211 . 1 1 23 23 LEU N N 15 115.378 0.05 . 1 . . . . . . . . . 5689 1 212 . 1 1 23 23 LEU H H 1 7.987 0.01 . 1 . . . . . . . . . 5689 1 213 . 1 1 23 23 LEU CA C 13 54.070 0.05 . 1 . . . . . . . . . 5689 1 214 . 1 1 23 23 LEU HA H 1 4.420 0.01 . 1 . . . . . . . . . 5689 1 215 . 1 1 23 23 LEU CB C 13 42.255 0.05 . 1 . . . . . . . . . 5689 1 216 . 1 1 23 23 LEU HB2 H 1 1.592 0.01 . 1 . . . . . . . . . 5689 1 217 . 1 1 23 23 LEU HB3 H 1 1.793 0.01 . 1 . . . . . . . . . 5689 1 218 . 1 1 23 23 LEU CG C 13 26.062 0.05 . 1 . . . . . . . . . 5689 1 219 . 1 1 23 23 LEU HG H 1 1.783 0.01 . 1 . . . . . . . . . 5689 1 220 . 1 1 23 23 LEU CD1 C 13 23.087 0.05 . 1 . . . . . . . . . 5689 1 221 . 1 1 23 23 LEU HD11 H 1 0.835 0.01 . 1 . . . . . . . . . 5689 1 222 . 1 1 23 23 LEU HD12 H 1 0.835 0.01 . 1 . . . . . . . . . 5689 1 223 . 1 1 23 23 LEU HD13 H 1 0.835 0.01 . 1 . . . . . . . . . 5689 1 224 . 1 1 23 23 LEU CD2 C 13 23.087 0.05 . 1 . . . . . . . . . 5689 1 225 . 1 1 23 23 LEU HD21 H 1 0.835 0.01 . 1 . . . . . . . . . 5689 1 226 . 1 1 23 23 LEU HD22 H 1 0.835 0.01 . 1 . . . . . . . . . 5689 1 227 . 1 1 23 23 LEU HD23 H 1 0.835 0.01 . 1 . . . . . . . . . 5689 1 228 . 1 1 23 23 LEU C C 13 175.836 0.05 . 1 . . . . . . . . . 5689 1 229 . 1 1 24 24 SER N N 15 115.353 0.05 . 1 . . . . . . . . . 5689 1 230 . 1 1 24 24 SER H H 1 7.614 0.01 . 1 . . . . . . . . . 5689 1 231 . 1 1 24 24 SER CA C 13 58.118 0.05 . 1 . . . . . . . . . 5689 1 232 . 1 1 24 24 SER HA H 1 4.148 0.01 . 1 . . . . . . . . . 5689 1 233 . 1 1 24 24 SER CB C 13 61.433 0.05 . 1 . . . . . . . . . 5689 1 234 . 1 1 24 24 SER HB2 H 1 4.018 0.01 . 2 . . . . . . . . . 5689 1 235 . 1 1 24 24 SER HB3 H 1 4.005 0.01 . 2 . . . . . . . . . 5689 1 236 . 1 1 24 24 SER C C 13 175.500 0.05 . 1 . . . . . . . . . 5689 1 237 . 1 1 25 25 LEU N N 15 117.635 0.05 . 1 . . . . . . . . . 5689 1 238 . 1 1 25 25 LEU H H 1 8.211 0.01 . 1 . . . . . . . . . 5689 1 239 . 1 1 25 25 LEU CA C 13 52.567 0.05 . 1 . . . . . . . . . 5689 1 240 . 1 1 25 25 LEU HA H 1 4.377 0.01 . 1 . . . . . . . . . 5689 1 241 . 1 1 25 25 LEU CB C 13 42.319 0.05 . 1 . . . . . . . . . 5689 1 242 . 1 1 25 25 LEU HB2 H 1 1.201 0.01 . 2 . . . . . . . . . 5689 1 243 . 1 1 25 25 LEU HB3 H 1 1.676 0.01 . 2 . . . . . . . . . 5689 1 244 . 1 1 25 25 LEU HG H 1 1.570 0.01 . 1 . . . . . . . . . 5689 1 245 . 1 1 25 25 LEU HD11 H 1 0.846 0.01 . 2 . . . . . . . . . 5689 1 246 . 1 1 25 25 LEU HD12 H 1 0.846 0.01 . 2 . . . . . . . . . 5689 1 247 . 1 1 25 25 LEU HD13 H 1 0.846 0.01 . 2 . . . . . . . . . 5689 1 248 . 1 1 25 25 LEU HD21 H 1 0.667 0.01 . 2 . . . . . . . . . 5689 1 249 . 1 1 25 25 LEU HD22 H 1 0.667 0.01 . 2 . . . . . . . . . 5689 1 250 . 1 1 25 25 LEU HD23 H 1 0.667 0.01 . 2 . . . . . . . . . 5689 1 251 . 1 1 25 25 LEU C C 13 174.981 0.05 . 1 . . . . . . . . . 5689 1 252 . 1 1 26 26 PRO CA C 13 62.028 0.05 . 1 . . . . . . . . . 5689 1 253 . 1 1 26 26 PRO HA H 1 4.613 0.01 . 1 . . . . . . . . . 5689 1 254 . 1 1 26 26 PRO CB C 13 32.533 0.05 . 1 . . . . . . . . . 5689 1 255 . 1 1 26 26 PRO HB2 H 1 2.539 0.01 . 2 . . . . . . . . . 5689 1 256 . 1 1 26 26 PRO HB3 H 1 1.701 0.01 . 2 . . . . . . . . . 5689 1 257 . 1 1 26 26 PRO CG C 13 27.556 0.05 . 1 . . . . . . . . . 5689 1 258 . 1 1 26 26 PRO HG2 H 1 2.131 0.01 . 1 . . . . . . . . . 5689 1 259 . 1 1 26 26 PRO HG3 H 1 2.131 0.01 . 1 . . . . . . . . . 5689 1 260 . 1 1 26 26 PRO CD C 13 50.895 0.05 . 1 . . . . . . . . . 5689 1 261 . 1 1 26 26 PRO HD2 H 1 4.191 0.01 . 2 . . . . . . . . . 5689 1 262 . 1 1 26 26 PRO HD3 H 1 3.376 0.01 . 2 . . . . . . . . . 5689 1 263 . 1 1 26 26 PRO C C 13 177.520 0.05 . 1 . . . . . . . . . 5689 1 264 . 1 1 27 27 ASP N N 15 123.500 0.05 . 1 . . . . . . . . . 5689 1 265 . 1 1 27 27 ASP H H 1 8.804 0.01 . 1 . . . . . . . . . 5689 1 266 . 1 1 27 27 ASP CA C 13 57.771 0.05 . 1 . . . . . . . . . 5689 1 267 . 1 1 27 27 ASP HA H 1 4.222 0.01 . 1 . . . . . . . . . 5689 1 268 . 1 1 27 27 ASP CB C 13 40.145 0.05 . 1 . . . . . . . . . 5689 1 269 . 1 1 27 27 ASP HB2 H 1 2.551 0.01 . 2 . . . . . . . . . 5689 1 270 . 1 1 27 27 ASP HB3 H 1 2.645 0.01 . 2 . . . . . . . . . 5689 1 271 . 1 1 27 27 ASP C C 13 178.618 0.05 . 1 . . . . . . . . . 5689 1 272 . 1 1 28 28 SER N N 15 112.878 0.05 . 1 . . . . . . . . . 5689 1 273 . 1 1 28 28 SER H H 1 8.532 0.01 . 1 . . . . . . . . . 5689 1 274 . 1 1 28 28 SER CA C 13 60.857 0.05 . 1 . . . . . . . . . 5689 1 275 . 1 1 28 28 SER HA H 1 4.125 0.01 . 1 . . . . . . . . . 5689 1 276 . 1 1 28 28 SER CB C 13 61.932 0.05 . 1 . . . . . . . . . 5689 1 277 . 1 1 28 28 SER HB2 H 1 3.898 0.01 . 2 . . . . . . . . . 5689 1 278 . 1 1 28 28 SER HB3 H 1 3.984 0.01 . 2 . . . . . . . . . 5689 1 279 . 1 1 28 28 SER C C 13 176.716 0.05 . 1 . . . . . . . . . 5689 1 280 . 1 1 29 29 VAL N N 15 123.553 0.05 . 1 . . . . . . . . . 5689 1 281 . 1 1 29 29 VAL H H 1 7.146 0.01 . 1 . . . . . . . . . 5689 1 282 . 1 1 29 29 VAL CA C 13 64.862 0.05 . 1 . . . . . . . . . 5689 1 283 . 1 1 29 29 VAL HA H 1 3.940 0.01 . 1 . . . . . . . . . 5689 1 284 . 1 1 29 29 VAL CB C 13 31.927 0.05 . 1 . . . . . . . . . 5689 1 285 . 1 1 29 29 VAL HB H 1 2.131 0.01 . 1 . . . . . . . . . 5689 1 286 . 1 1 29 29 VAL CG2 C 13 23.444 0.05 . 2 . . . . . . . . . 5689 1 287 . 1 1 29 29 VAL HG21 H 1 1.116 0.01 . 2 . . . . . . . . . 5689 1 288 . 1 1 29 29 VAL HG22 H 1 1.116 0.01 . 2 . . . . . . . . . 5689 1 289 . 1 1 29 29 VAL HG23 H 1 1.116 0.01 . 2 . . . . . . . . . 5689 1 290 . 1 1 29 29 VAL CG1 C 13 20.559 0.05 . 2 . . . . . . . . . 5689 1 291 . 1 1 29 29 VAL HG11 H 1 0.862 0.01 . 2 . . . . . . . . . 5689 1 292 . 1 1 29 29 VAL HG12 H 1 0.862 0.01 . 2 . . . . . . . . . 5689 1 293 . 1 1 29 29 VAL HG13 H 1 0.862 0.01 . 2 . . . . . . . . . 5689 1 294 . 1 1 29 29 VAL C C 13 177.555 0.05 . 1 . . . . . . . . . 5689 1 295 . 1 1 30 30 VAL N N 15 118.916 0.05 . 1 . . . . . . . . . 5689 1 296 . 1 1 30 30 VAL H H 1 6.946 0.01 . 1 . . . . . . . . . 5689 1 297 . 1 1 30 30 VAL CA C 13 66.694 0.05 . 1 . . . . . . . . . 5689 1 298 . 1 1 30 30 VAL HA H 1 3.413 0.01 . 1 . . . . . . . . . 5689 1 299 . 1 1 30 30 VAL CB C 13 31.819 0.05 . 1 . . . . . . . . . 5689 1 300 . 1 1 30 30 VAL HB H 1 2.144 0.01 . 1 . . . . . . . . . 5689 1 301 . 1 1 30 30 VAL HG21 H 1 1.074 0.01 . 2 . . . . . . . . . 5689 1 302 . 1 1 30 30 VAL HG22 H 1 1.074 0.01 . 2 . . . . . . . . . 5689 1 303 . 1 1 30 30 VAL HG23 H 1 1.074 0.01 . 2 . . . . . . . . . 5689 1 304 . 1 1 30 30 VAL HG11 H 1 0.938 0.01 . 2 . . . . . . . . . 5689 1 305 . 1 1 30 30 VAL HG12 H 1 0.938 0.01 . 2 . . . . . . . . . 5689 1 306 . 1 1 30 30 VAL HG13 H 1 0.938 0.01 . 2 . . . . . . . . . 5689 1 307 . 1 1 30 30 VAL CG1 C 13 22.507 0.05 . 1 . . . . . . . . . 5689 1 308 . 1 1 30 30 VAL C C 13 176.600 0.05 . 1 . . . . . . . . . 5689 1 309 . 1 1 31 31 ALA N N 15 117.291 0.05 . 1 . . . . . . . . . 5689 1 310 . 1 1 31 31 ALA H H 1 8.020 0.01 . 1 . . . . . . . . . 5689 1 311 . 1 1 31 31 ALA CA C 13 54.825 0.05 . 1 . . . . . . . . . 5689 1 312 . 1 1 31 31 ALA HA H 1 4.089 0.01 . 1 . . . . . . . . . 5689 1 313 . 1 1 31 31 ALA CB C 13 18.125 0.05 . 1 . . . . . . . . . 5689 1 314 . 1 1 31 31 ALA HB1 H 1 1.439 0.01 . 1 . . . . . . . . . 5689 1 315 . 1 1 31 31 ALA HB2 H 1 1.439 0.01 . 1 . . . . . . . . . 5689 1 316 . 1 1 31 31 ALA HB3 H 1 1.439 0.01 . 1 . . . . . . . . . 5689 1 317 . 1 1 31 31 ALA C C 13 180.909 0.05 . 1 . . . . . . . . . 5689 1 318 . 1 1 32 32 ASP N N 15 116.135 0.05 . 1 . . . . . . . . . 5689 1 319 . 1 1 32 32 ASP H H 1 7.511 0.01 . 1 . . . . . . . . . 5689 1 320 . 1 1 32 32 ASP CA C 13 56.894 0.05 . 1 . . . . . . . . . 5689 1 321 . 1 1 32 32 ASP HA H 1 4.562 0.01 . 1 . . . . . . . . . 5689 1 322 . 1 1 32 32 ASP CB C 13 42.074 0.05 . 1 . . . . . . . . . 5689 1 323 . 1 1 32 32 ASP HB2 H 1 2.902 0.01 . 2 . . . . . . . . . 5689 1 324 . 1 1 32 32 ASP HB3 H 1 2.907 0.01 . 2 . . . . . . . . . 5689 1 325 . 1 1 32 32 ASP C C 13 178.261 0.05 . 1 . . . . . . . . . 5689 1 326 . 1 1 33 33 LEU N N 15 117.399 0.05 . 1 . . . . . . . . . 5689 1 327 . 1 1 33 33 LEU H H 1 7.515 0.01 . 1 . . . . . . . . . 5689 1 328 . 1 1 33 33 LEU CA C 13 58.321 0.05 . 1 . . . . . . . . . 5689 1 329 . 1 1 33 33 LEU HA H 1 4.058 0.01 . 1 . . . . . . . . . 5689 1 330 . 1 1 33 33 LEU CB C 13 39.234 0.05 . 1 . . . . . . . . . 5689 1 331 . 1 1 33 33 LEU HB2 H 1 2.021 0.01 . 1 . . . . . . . . . 5689 1 332 . 1 1 33 33 LEU HB3 H 1 2.021 0.01 . 1 . . . . . . . . . 5689 1 333 . 1 1 33 33 LEU CG C 13 27.029 0.05 . 1 . . . . . . . . . 5689 1 334 . 1 1 33 33 LEU HG H 1 1.439 0.01 . 1 . . . . . . . . . 5689 1 335 . 1 1 33 33 LEU HD11 H 1 0.971 0.01 . 2 . . . . . . . . . 5689 1 336 . 1 1 33 33 LEU HD12 H 1 0.971 0.01 . 2 . . . . . . . . . 5689 1 337 . 1 1 33 33 LEU HD13 H 1 0.971 0.01 . 2 . . . . . . . . . 5689 1 338 . 1 1 33 33 LEU HD21 H 1 0.879 0.01 . 2 . . . . . . . . . 5689 1 339 . 1 1 33 33 LEU HD22 H 1 0.879 0.01 . 2 . . . . . . . . . 5689 1 340 . 1 1 33 33 LEU HD23 H 1 0.879 0.01 . 2 . . . . . . . . . 5689 1 341 . 1 1 33 33 LEU C C 13 177.160 0.05 . 1 . . . . . . . . . 5689 1 342 . 1 1 34 34 TYR N N 15 123.139 0.05 . 1 . . . . . . . . . 5689 1 343 . 1 1 34 34 TYR H H 1 8.502 0.01 . 1 . . . . . . . . . 5689 1 344 . 1 1 34 34 TYR CA C 13 60.165 0.05 . 1 . . . . . . . . . 5689 1 345 . 1 1 34 34 TYR HA H 1 4.277 0.01 . 1 . . . . . . . . . 5689 1 346 . 1 1 34 34 TYR CB C 13 37.085 0.05 . 1 . . . . . . . . . 5689 1 347 . 1 1 34 34 TYR HB2 H 1 3.391 0.01 . 1 . . . . . . . . . 5689 1 348 . 1 1 34 34 TYR HB3 H 1 3.391 0.01 . 1 . . . . . . . . . 5689 1 349 . 1 1 34 34 TYR HD1 H 1 6.811 0.01 . 1 . . . . . . . . . 5689 1 350 . 1 1 34 34 TYR HD2 H 1 6.811 0.01 . 1 . . . . . . . . . 5689 1 351 . 1 1 34 34 TYR HH H 1 6.811 0.01 . 1 . . . . . . . . . 5689 1 352 . 1 1 34 34 TYR C C 13 176.956 0.05 . 1 . . . . . . . . . 5689 1 353 . 1 1 35 35 ASN N N 15 117.987 0.05 . 1 . . . . . . . . . 5689 1 354 . 1 1 35 35 ASN H H 1 7.869 0.01 . 1 . . . . . . . . . 5689 1 355 . 1 1 35 35 ASN CA C 13 53.343 0.05 . 1 . . . . . . . . . 5689 1 356 . 1 1 35 35 ASN HA H 1 4.764 0.01 . 1 . . . . . . . . . 5689 1 357 . 1 1 35 35 ASN CB C 13 39.087 0.05 . 1 . . . . . . . . . 5689 1 358 . 1 1 35 35 ASN HB2 H 1 2.363 0.01 . 1 . . . . . . . . . 5689 1 359 . 1 1 35 35 ASN HB3 H 1 2.363 0.01 . 1 . . . . . . . . . 5689 1 360 . 1 1 35 35 ASN ND2 N 15 114.463 0.05 . 1 . . . . . . . . . 5689 1 361 . 1 1 35 35 ASN HD21 H 1 7.010 0.01 . 2 . . . . . . . . . 5689 1 362 . 1 1 35 35 ASN HD22 H 1 7.394 0.01 . 2 . . . . . . . . . 5689 1 363 . 1 1 35 35 ASN C C 13 173.669 0.05 . 1 . . . . . . . . . 5689 1 364 . 1 1 36 36 PHE N N 15 118.595 0.05 . 1 . . . . . . . . . 5689 1 365 . 1 1 36 36 PHE H H 1 7.092 0.01 . 1 . . . . . . . . . 5689 1 366 . 1 1 36 36 PHE CA C 13 61.252 0.05 . 1 . . . . . . . . . 5689 1 367 . 1 1 36 36 PHE HA H 1 4.701 0.01 . 1 . . . . . . . . . 5689 1 368 . 1 1 36 36 PHE CB C 13 40.864 0.05 . 1 . . . . . . . . . 5689 1 369 . 1 1 36 36 PHE HE1 H 1 7.010 0.01 . 1 . . . . . . . . . 5689 1 370 . 1 1 36 36 PHE HE2 H 1 7.010 0.01 . 1 . . . . . . . . . 5689 1 371 . 1 1 36 36 PHE C C 13 174.968 0.05 . 1 . . . . . . . . . 5689 1 372 . 1 1 37 37 TRP N N 15 112.667 0.05 . 1 . . . . . . . . . 5689 1 373 . 1 1 37 37 TRP H H 1 8.638 0.01 . 1 . . . . . . . . . 5689 1 374 . 1 1 37 37 TRP CA C 13 56.682 0.05 . 1 . . . . . . . . . 5689 1 375 . 1 1 37 37 TRP HA H 1 4.640 0.01 . 1 . . . . . . . . . 5689 1 376 . 1 1 37 37 TRP CB C 13 29.658 0.05 . 1 . . . . . . . . . 5689 1 377 . 1 1 37 37 TRP HB2 H 1 3.068 0.01 . 1 . . . . . . . . . 5689 1 378 . 1 1 37 37 TRP HB3 H 1 3.682 0.01 . 1 . . . . . . . . . 5689 1 379 . 1 1 37 37 TRP HD1 H 1 7.424 0.01 . 1 . . . . . . . . . 5689 1 380 . 1 1 37 37 TRP HZ3 H 1 6.366 0.01 . 1 . . . . . . . . . 5689 1 381 . 1 1 37 37 TRP HE3 H 1 7.759 0.01 . 1 . . . . . . . . . 5689 1 382 . 1 1 37 37 TRP C C 13 176.186 0.05 . 1 . . . . . . . . . 5689 1 383 . 1 1 38 38 LYS N N 15 121.481 0.05 . 1 . . . . . . . . . 5689 1 384 . 1 1 38 38 LYS H H 1 8.299 0.01 . 1 . . . . . . . . . 5689 1 385 . 1 1 38 38 LYS CA C 13 57.434 0.05 . 1 . . . . . . . . . 5689 1 386 . 1 1 38 38 LYS HA H 1 4.336 0.01 . 1 . . . . . . . . . 5689 1 387 . 1 1 38 38 LYS CB C 13 32.785 0.05 . 1 . . . . . . . . . 5689 1 388 . 1 1 38 38 LYS HB2 H 1 2.045 0.01 . 2 . . . . . . . . . 5689 1 389 . 1 1 38 38 LYS HB3 H 1 2.161 0.01 . 2 . . . . . . . . . 5689 1 390 . 1 1 38 38 LYS CG C 13 26.200 0.05 . 1 . . . . . . . . . 5689 1 391 . 1 1 38 38 LYS CD C 13 29.359 0.05 . 1 . . . . . . . . . 5689 1 392 . 1 1 38 38 LYS CE C 13 42.562 0.05 . 1 . . . . . . . . . 5689 1 393 . 1 1 38 38 LYS HE2 H 1 3.144 0.01 . 1 . . . . . . . . . 5689 1 394 . 1 1 38 38 LYS HE3 H 1 3.144 0.01 . 1 . . . . . . . . . 5689 1 395 . 1 1 38 38 LYS HG2 H 1 1.780 0.01 . 2 . . . . . . . . . 5689 1 396 . 1 1 38 38 LYS HG3 H 1 1.563 0.01 . 2 . . . . . . . . . 5689 1 397 . 1 1 38 38 LYS HD2 H 1 1.775 0.01 . 1 . . . . . . . . . 5689 1 398 . 1 1 38 38 LYS HD3 H 1 1.775 0.01 . 1 . . . . . . . . . 5689 1 399 . 1 1 38 38 LYS C C 13 180.146 0.05 . 1 . . . . . . . . . 5689 1 400 . 1 1 39 39 ASP N N 15 125.578 0.05 . 1 . . . . . . . . . 5689 1 401 . 1 1 39 39 ASP H H 1 9.190 0.01 . 1 . . . . . . . . . 5689 1 402 . 1 1 39 39 ASP CA C 13 57.545 0.05 . 1 . . . . . . . . . 5689 1 403 . 1 1 39 39 ASP HA H 1 4.195 0.01 . 1 . . . . . . . . . 5689 1 404 . 1 1 39 39 ASP CB C 13 40.549 0.05 . 1 . . . . . . . . . 5689 1 405 . 1 1 39 39 ASP HB2 H 1 2.658 0.01 . 1 . . . . . . . . . 5689 1 406 . 1 1 39 39 ASP HB3 H 1 2.658 0.01 . 1 . . . . . . . . . 5689 1 407 . 1 1 39 39 ASP C C 13 176.706 0.05 . 1 . . . . . . . . . 5689 1 408 . 1 1 40 40 ASP N N 15 114.897 0.05 . 1 . . . . . . . . . 5689 1 409 . 1 1 40 40 ASP H H 1 8.401 0.01 . 1 . . . . . . . . . 5689 1 410 . 1 1 40 40 ASP CA C 13 52.822 0.05 . 1 . . . . . . . . . 5689 1 411 . 1 1 40 40 ASP HA H 1 4.467 0.01 . 1 . . . . . . . . . 5689 1 412 . 1 1 40 40 ASP CB C 13 39.863 0.05 . 1 . . . . . . . . . 5689 1 413 . 1 1 40 40 ASP HB2 H 1 2.606 0.01 . 2 . . . . . . . . . 5689 1 414 . 1 1 40 40 ASP HB3 H 1 2.841 0.01 . 2 . . . . . . . . . 5689 1 415 . 1 1 40 40 ASP C C 13 175.443 0.05 . 1 . . . . . . . . . 5689 1 416 . 1 1 41 41 TYR N N 15 121.217 0.05 . 1 . . . . . . . . . 5689 1 417 . 1 1 41 41 TYR H H 1 7.172 0.01 . 1 . . . . . . . . . 5689 1 418 . 1 1 41 41 TYR CA C 13 59.441 0.05 . 1 . . . . . . . . . 5689 1 419 . 1 1 41 41 TYR HA H 1 4.196 0.01 . 1 . . . . . . . . . 5689 1 420 . 1 1 41 41 TYR CB C 13 39.660 0.05 . 1 . . . . . . . . . 5689 1 421 . 1 1 41 41 TYR HB2 H 1 2.471 0.01 . 2 . . . . . . . . . 5689 1 422 . 1 1 41 41 TYR HB3 H 1 3.047 0.01 . 2 . . . . . . . . . 5689 1 423 . 1 1 41 41 TYR HD1 H 1 6.625 0.01 . 1 . . . . . . . . . 5689 1 424 . 1 1 41 41 TYR HE1 H 1 6.637 0.01 . 1 . . . . . . . . . 5689 1 425 . 1 1 41 41 TYR HE2 H 1 6.637 0.01 . 1 . . . . . . . . . 5689 1 426 . 1 1 41 41 TYR HD2 H 1 6.625 0.01 . 1 . . . . . . . . . 5689 1 427 . 1 1 41 41 TYR C C 13 174.964 0.05 . 1 . . . . . . . . . 5689 1 428 . 1 1 42 42 VAL N N 15 126.642 0.05 . 1 . . . . . . . . . 5689 1 429 . 1 1 42 42 VAL H H 1 7.329 0.01 . 1 . . . . . . . . . 5689 1 430 . 1 1 42 42 VAL CA C 13 60.729 0.05 . 1 . . . . . . . . . 5689 1 431 . 1 1 42 42 VAL HA H 1 3.672 0.01 . 1 . . . . . . . . . 5689 1 432 . 1 1 42 42 VAL CB C 13 34.771 0.05 . 1 . . . . . . . . . 5689 1 433 . 1 1 42 42 VAL HB H 1 1.670 0.01 . 1 . . . . . . . . . 5689 1 434 . 1 1 42 42 VAL CG2 C 13 20.818 0.05 . 1 . . . . . . . . . 5689 1 435 . 1 1 42 42 VAL HG21 H 1 0.707 0.01 . 2 . . . . . . . . . 5689 1 436 . 1 1 42 42 VAL HG22 H 1 0.707 0.01 . 2 . . . . . . . . . 5689 1 437 . 1 1 42 42 VAL HG23 H 1 0.707 0.01 . 2 . . . . . . . . . 5689 1 438 . 1 1 42 42 VAL CG1 C 13 20.818 0.05 . 1 . . . . . . . . . 5689 1 439 . 1 1 42 42 VAL HG11 H 1 0.659 0.01 . 2 . . . . . . . . . 5689 1 440 . 1 1 42 42 VAL HG12 H 1 0.659 0.01 . 2 . . . . . . . . . 5689 1 441 . 1 1 42 42 VAL HG13 H 1 0.659 0.01 . 2 . . . . . . . . . 5689 1 442 . 1 1 42 42 VAL C C 13 172.921 0.05 . 1 . . . . . . . . . 5689 1 443 . 1 1 43 43 MET N N 15 128.490 0.05 . 1 . . . . . . . . . 5689 1 444 . 1 1 43 43 MET H H 1 7.437 0.01 . 1 . . . . . . . . . 5689 1 445 . 1 1 43 43 MET CA C 13 55.644 0.05 . 1 . . . . . . . . . 5689 1 446 . 1 1 43 43 MET HA H 1 4.098 0.01 . 1 . . . . . . . . . 5689 1 447 . 1 1 43 43 MET CB C 13 34.997 0.05 . 1 . . . . . . . . . 5689 1 448 . 1 1 43 43 MET HB2 H 1 1.974 0.01 . 2 . . . . . . . . . 5689 1 449 . 1 1 43 43 MET HB3 H 1 2.211 0.01 . 2 . . . . . . . . . 5689 1 450 . 1 1 43 43 MET CG C 13 31.285 0.05 . 1 . . . . . . . . . 5689 1 451 . 1 1 43 43 MET HG2 H 1 2.183 0.01 . 2 . . . . . . . . . 5689 1 452 . 1 1 43 43 MET HG3 H 1 2.606 0.01 . 2 . . . . . . . . . 5689 1 453 . 1 1 43 43 MET HE1 H 1 1.669 0.01 . 1 . . . . . . . . . 5689 1 454 . 1 1 43 43 MET HE2 H 1 1.669 0.01 . 1 . . . . . . . . . 5689 1 455 . 1 1 43 43 MET HE3 H 1 1.669 0.01 . 1 . . . . . . . . . 5689 1 456 . 1 1 43 43 MET C C 13 174.313 0.05 . 1 . . . . . . . . . 5689 1 457 . 1 1 44 44 THR N N 15 114.594 0.05 . 1 . . . . . . . . . 5689 1 458 . 1 1 44 44 THR H H 1 8.602 0.01 . 1 . . . . . . . . . 5689 1 459 . 1 1 44 44 THR CA C 13 61.502 0.05 . 1 . . . . . . . . . 5689 1 460 . 1 1 44 44 THR HA H 1 4.405 0.01 . 1 . . . . . . . . . 5689 1 461 . 1 1 44 44 THR CB C 13 71.062 0.05 . 1 . . . . . . . . . 5689 1 462 . 1 1 44 44 THR HB H 1 4.197 0.01 . 1 . . . . . . . . . 5689 1 463 . 1 1 44 44 THR CG2 C 13 21.557 0.05 . 1 . . . . . . . . . 5689 1 464 . 1 1 44 44 THR HG21 H 1 1.020 0.01 . 1 . . . . . . . . . 5689 1 465 . 1 1 44 44 THR HG22 H 1 1.020 0.01 . 1 . . . . . . . . . 5689 1 466 . 1 1 44 44 THR HG23 H 1 1.020 0.01 . 1 . . . . . . . . . 5689 1 467 . 1 1 44 44 THR C C 13 173.930 0.05 . 1 . . . . . . . . . 5689 1 468 . 1 1 45 45 ASP N N 15 123.842 0.05 . 1 . . . . . . . . . 5689 1 469 . 1 1 45 45 ASP H H 1 7.868 0.01 . 1 . . . . . . . . . 5689 1 470 . 1 1 45 45 ASP CA C 13 53.706 0.05 . 1 . . . . . . . . . 5689 1 471 . 1 1 45 45 ASP HA H 1 4.689 0.01 . 1 . . . . . . . . . 5689 1 472 . 1 1 45 45 ASP CB C 13 42.710 0.05 . 1 . . . . . . . . . 5689 1 473 . 1 1 45 45 ASP HB2 H 1 2.611 0.01 . 2 . . . . . . . . . 5689 1 474 . 1 1 45 45 ASP HB3 H 1 2.895 0.01 . 2 . . . . . . . . . 5689 1 475 . 1 1 45 45 ASP C C 13 176.742 0.05 . 1 . . . . . . . . . 5689 1 476 . 1 1 46 46 ARG N N 15 128.697 0.05 . 1 . . . . . . . . . 5689 1 477 . 1 1 46 46 ARG H H 1 8.974 0.01 . 1 . . . . . . . . . 5689 1 478 . 1 1 46 46 ARG CA C 13 60.191 0.05 . 1 . . . . . . . . . 5689 1 479 . 1 1 46 46 ARG HA H 1 3.920 0.01 . 1 . . . . . . . . . 5689 1 480 . 1 1 46 46 ARG CB C 13 30.696 0.05 . 1 . . . . . . . . . 5689 1 481 . 1 1 46 46 ARG HB2 H 1 2.020 0.01 . 2 . . . . . . . . . 5689 1 482 . 1 1 46 46 ARG HB3 H 1 1.758 0.01 . 2 . . . . . . . . . 5689 1 483 . 1 1 46 46 ARG CG C 13 28.765 0.05 . 1 . . . . . . . . . 5689 1 484 . 1 1 46 46 ARG HG2 H 1 1.321 0.01 . 2 . . . . . . . . . 5689 1 485 . 1 1 46 46 ARG HG3 H 1 1.629 0.01 . 2 . . . . . . . . . 5689 1 486 . 1 1 46 46 ARG CD C 13 42.630 0.05 . 1 . . . . . . . . . 5689 1 487 . 1 1 46 46 ARG HD2 H 1 3.318 0.01 . 2 . . . . . . . . . 5689 1 488 . 1 1 46 46 ARG HD3 H 1 3.109 0.01 . 2 . . . . . . . . . 5689 1 489 . 1 1 46 46 ARG NE N 15 86.523 0.05 . 1 . . . . . . . . . 5689 1 490 . 1 1 46 46 ARG HE H 1 9.206 0.01 . 1 . . . . . . . . . 5689 1 491 . 1 1 46 46 ARG HH11 H 1 6.710 0.01 . 1 . . . . . . . . . 5689 1 492 . 1 1 46 46 ARG HH12 H 1 6.710 0.01 . 1 . . . . . . . . . 5689 1 493 . 1 1 46 46 ARG C C 13 177.984 0.05 . 1 . . . . . . . . . 5689 1 494 . 1 1 47 47 LEU N N 15 115.531 0.05 . 1 . . . . . . . . . 5689 1 495 . 1 1 47 47 LEU H H 1 8.944 0.01 . 1 . . . . . . . . . 5689 1 496 . 1 1 47 47 LEU CA C 13 57.815 0.05 . 1 . . . . . . . . . 5689 1 497 . 1 1 47 47 LEU HA H 1 3.953 0.01 . 1 . . . . . . . . . 5689 1 498 . 1 1 47 47 LEU CB C 13 41.619 0.05 . 1 . . . . . . . . . 5689 1 499 . 1 1 47 47 LEU HB2 H 1 1.341 0.01 . 2 . . . . . . . . . 5689 1 500 . 1 1 47 47 LEU HB3 H 1 1.896 0.01 . 2 . . . . . . . . . 5689 1 501 . 1 1 47 47 LEU CG C 13 27.029 0.05 . 1 . . . . . . . . . 5689 1 502 . 1 1 47 47 LEU HG H 1 1.835 0.01 . 1 . . . . . . . . . 5689 1 503 . 1 1 47 47 LEU CD1 C 13 22.478 0.05 . 1 . . . . . . . . . 5689 1 504 . 1 1 47 47 LEU HD11 H 1 0.883 0.01 . 2 . . . . . . . . . 5689 1 505 . 1 1 47 47 LEU HD12 H 1 0.883 0.01 . 2 . . . . . . . . . 5689 1 506 . 1 1 47 47 LEU HD13 H 1 0.883 0.01 . 2 . . . . . . . . . 5689 1 507 . 1 1 47 47 LEU CD2 C 13 25.414 0.05 . 1 . . . . . . . . . 5689 1 508 . 1 1 47 47 LEU HD21 H 1 1.019 0.01 . 2 . . . . . . . . . 5689 1 509 . 1 1 47 47 LEU HD22 H 1 1.019 0.01 . 2 . . . . . . . . . 5689 1 510 . 1 1 47 47 LEU HD23 H 1 1.019 0.01 . 2 . . . . . . . . . 5689 1 511 . 1 1 47 47 LEU C C 13 179.702 0.05 . 1 . . . . . . . . . 5689 1 512 . 1 1 48 48 ALA N N 15 122.058 0.05 . 1 . . . . . . . . . 5689 1 513 . 1 1 48 48 ALA H H 1 7.828 0.01 . 1 . . . . . . . . . 5689 1 514 . 1 1 48 48 ALA CA C 13 55.426 0.05 . 1 . . . . . . . . . 5689 1 515 . 1 1 48 48 ALA HA H 1 3.999 0.01 . 1 . . . . . . . . . 5689 1 516 . 1 1 48 48 ALA CB C 13 17.961 0.05 . 1 . . . . . . . . . 5689 1 517 . 1 1 48 48 ALA HB1 H 1 1.759 0.01 . 1 . . . . . . . . . 5689 1 518 . 1 1 48 48 ALA HB2 H 1 1.759 0.01 . 1 . . . . . . . . . 5689 1 519 . 1 1 48 48 ALA HB3 H 1 1.759 0.01 . 1 . . . . . . . . . 5689 1 520 . 1 1 48 48 ALA C C 13 179.704 0.05 . 1 . . . . . . . . . 5689 1 521 . 1 1 49 49 GLY N N 15 104.849 0.05 . 1 . . . . . . . . . 5689 1 522 . 1 1 49 49 GLY H H 1 7.309 0.01 . 1 . . . . . . . . . 5689 1 523 . 1 1 49 49 GLY CA C 13 47.558 0.05 . 1 . . . . . . . . . 5689 1 524 . 1 1 49 49 GLY HA2 H 1 3.634 0.01 . 2 . . . . . . . . . 5689 1 525 . 1 1 49 49 GLY HA3 H 1 4.333 0.01 . 2 . . . . . . . . . 5689 1 526 . 1 1 49 49 GLY C C 13 177.056 0.05 . 1 . . . . . . . . . 5689 1 527 . 1 1 50 50 CYS N N 15 118.479 0.05 . 1 . . . . . . . . . 5689 1 528 . 1 1 50 50 CYS H H 1 8.774 0.01 . 1 . . . . . . . . . 5689 1 529 . 1 1 50 50 CYS CA C 13 55.216 0.05 . 1 . . . . . . . . . 5689 1 530 . 1 1 50 50 CYS HA H 1 4.668 0.01 . 1 . . . . . . . . . 5689 1 531 . 1 1 50 50 CYS CB C 13 34.747 0.05 . 1 . . . . . . . . . 5689 1 532 . 1 1 50 50 CYS HB2 H 1 3.212 0.01 . 2 . . . . . . . . . 5689 1 533 . 1 1 50 50 CYS HB3 H 1 3.031 0.01 . 2 . . . . . . . . . 5689 1 534 . 1 1 50 50 CYS C C 13 178.237 0.05 . 1 . . . . . . . . . 5689 1 535 . 1 1 51 51 ALA N N 15 125.919 0.05 . 1 . . . . . . . . . 5689 1 536 . 1 1 51 51 ALA H H 1 8.752 0.01 . 1 . . . . . . . . . 5689 1 537 . 1 1 51 51 ALA CA C 13 55.995 0.05 . 1 . . . . . . . . . 5689 1 538 . 1 1 51 51 ALA HA H 1 3.785 0.01 . 1 . . . . . . . . . 5689 1 539 . 1 1 51 51 ALA CB C 13 18.385 0.05 . 1 . . . . . . . . . 5689 1 540 . 1 1 51 51 ALA HB1 H 1 1.464 0.01 . 1 . . . . . . . . . 5689 1 541 . 1 1 51 51 ALA HB2 H 1 1.464 0.01 . 1 . . . . . . . . . 5689 1 542 . 1 1 51 51 ALA HB3 H 1 1.464 0.01 . 1 . . . . . . . . . 5689 1 543 . 1 1 51 51 ALA C C 13 178.462 0.05 . 1 . . . . . . . . . 5689 1 544 . 1 1 52 52 ILE N N 15 117.354 0.05 . 1 . . . . . . . . . 5689 1 545 . 1 1 52 52 ILE H H 1 8.027 0.01 . 1 . . . . . . . . . 5689 1 546 . 1 1 52 52 ILE CA C 13 65.234 0.05 . 1 . . . . . . . . . 5689 1 547 . 1 1 52 52 ILE HA H 1 4.021 0.01 . 1 . . . . . . . . . 5689 1 548 . 1 1 52 52 ILE CB C 13 38.741 0.05 . 1 . . . . . . . . . 5689 1 549 . 1 1 52 52 ILE HD11 H 1 0.841 0.01 . 4 . . . . . . . . . 5689 1 550 . 1 1 52 52 ILE HD12 H 1 0.841 0.01 . 4 . . . . . . . . . 5689 1 551 . 1 1 52 52 ILE HD13 H 1 0.841 0.01 . 4 . . . . . . . . . 5689 1 552 . 1 1 52 52 ILE HG21 H 1 0.841 0.01 . 4 . . . . . . . . . 5689 1 553 . 1 1 52 52 ILE HG22 H 1 0.841 0.01 . 4 . . . . . . . . . 5689 1 554 . 1 1 52 52 ILE HG23 H 1 0.841 0.01 . 4 . . . . . . . . . 5689 1 555 . 1 1 52 52 ILE C C 13 178.303 0.05 . 1 . . . . . . . . . 5689 1 556 . 1 1 53 53 ASN N N 15 117.393 0.05 . 1 . . . . . . . . . 5689 1 557 . 1 1 53 53 ASN H H 1 7.832 0.01 . 1 . . . . . . . . . 5689 1 558 . 1 1 53 53 ASN CA C 13 52.912 0.05 . 1 . . . . . . . . . 5689 1 559 . 1 1 53 53 ASN HA H 1 4.608 0.01 . 1 . . . . . . . . . 5689 1 560 . 1 1 53 53 ASN CB C 13 40.731 0.05 . 1 . . . . . . . . . 5689 1 561 . 1 1 53 53 ASN CG C 13 174.777 0.05 . 1 . . . . . . . . . 5689 1 562 . 1 1 53 53 ASN ND2 N 15 112.234 0.05 . 1 . . . . . . . . . 5689 1 563 . 1 1 53 53 ASN HD21 H 1 7.403 0.01 . 2 . . . . . . . . . 5689 1 564 . 1 1 53 53 ASN HD22 H 1 6.774 0.01 . 2 . . . . . . . . . 5689 1 565 . 1 1 53 53 ASN C C 13 175.544 0.05 . 1 . . . . . . . . . 5689 1 566 . 1 1 54 54 CYS N N 15 121.865 0.05 . 1 . . . . . . . . . 5689 1 567 . 1 1 54 54 CYS H H 1 8.475 0.01 . 1 . . . . . . . . . 5689 1 568 . 1 1 54 54 CYS CA C 13 56.907 0.05 . 1 . . . . . . . . . 5689 1 569 . 1 1 54 54 CYS HA H 1 4.670 0.01 . 1 . . . . . . . . . 5689 1 570 . 1 1 54 54 CYS CB C 13 38.700 0.05 . 1 . . . . . . . . . 5689 1 571 . 1 1 54 54 CYS C C 13 177.137 0.05 . 1 . . . . . . . . . 5689 1 572 . 1 1 55 55 LEU N N 15 121.307 0.05 . 1 . . . . . . . . . 5689 1 573 . 1 1 55 55 LEU H H 1 9.157 0.01 . 1 . . . . . . . . . 5689 1 574 . 1 1 55 55 LEU CA C 13 54.920 0.05 . 1 . . . . . . . . . 5689 1 575 . 1 1 55 55 LEU HA H 1 4.491 0.01 . 1 . . . . . . . . . 5689 1 576 . 1 1 55 55 LEU CB C 13 42.289 0.05 . 1 . . . . . . . . . 5689 1 577 . 1 1 55 55 LEU HB2 H 1 2.139 0.01 . 2 . . . . . . . . . 5689 1 578 . 1 1 55 55 LEU HB3 H 1 1.538 0.01 . 2 . . . . . . . . . 5689 1 579 . 1 1 55 55 LEU CG C 13 27.074 0.05 . 1 . . . . . . . . . 5689 1 580 . 1 1 55 55 LEU HG H 1 1.821 0.01 . 1 . . . . . . . . . 5689 1 581 . 1 1 55 55 LEU CD1 C 13 24.796 0.05 . 2 . . . . . . . . . 5689 1 582 . 1 1 55 55 LEU HD11 H 1 0.892 0.01 . 1 . . . . . . . . . 5689 1 583 . 1 1 55 55 LEU HD12 H 1 0.892 0.01 . 1 . . . . . . . . . 5689 1 584 . 1 1 55 55 LEU HD13 H 1 0.892 0.01 . 1 . . . . . . . . . 5689 1 585 . 1 1 55 55 LEU CD2 C 13 23.490 0.05 . 2 . . . . . . . . . 5689 1 586 . 1 1 55 55 LEU HD21 H 1 0.892 0.01 . 1 . . . . . . . . . 5689 1 587 . 1 1 55 55 LEU HD22 H 1 0.892 0.01 . 1 . . . . . . . . . 5689 1 588 . 1 1 55 55 LEU HD23 H 1 0.892 0.01 . 1 . . . . . . . . . 5689 1 589 . 1 1 55 55 LEU C C 13 175.720 0.05 . 1 . . . . . . . . . 5689 1 590 . 1 1 56 56 ALA N N 15 106.625 0.05 . 1 . . . . . . . . . 5689 1 591 . 1 1 56 56 ALA H H 1 7.797 0.01 . 1 . . . . . . . . . 5689 1 592 . 1 1 56 56 ALA CA C 13 54.329 0.05 . 1 . . . . . . . . . 5689 1 593 . 1 1 56 56 ALA HA H 1 3.753 0.01 . 1 . . . . . . . . . 5689 1 594 . 1 1 56 56 ALA CB C 13 19.111 0.05 . 1 . . . . . . . . . 5689 1 595 . 1 1 56 56 ALA C C 13 179.320 0.05 . 1 . . . . . . . . . 5689 1 596 . 1 1 57 57 THR N N 15 117.550 0.05 . 1 . . . . . . . . . 5689 1 597 . 1 1 57 57 THR H H 1 8.364 0.01 . 1 . . . . . . . . . 5689 1 598 . 1 1 57 57 THR CA C 13 66.819 0.05 . 1 . . . . . . . . . 5689 1 599 . 1 1 57 57 THR HA H 1 3.918 0.01 . 1 . . . . . . . . . 5689 1 600 . 1 1 57 57 THR CB C 13 68.667 0.05 . 1 . . . . . . . . . 5689 1 601 . 1 1 57 57 THR HB H 1 4.319 0.01 . 1 . . . . . . . . . 5689 1 602 . 1 1 57 57 THR CG2 C 13 21.121 0.05 . 1 . . . . . . . . . 5689 1 603 . 1 1 57 57 THR HG21 H 1 1.204 0.01 . 1 . . . . . . . . . 5689 1 604 . 1 1 57 57 THR HG22 H 1 1.204 0.01 . 1 . . . . . . . . . 5689 1 605 . 1 1 57 57 THR HG23 H 1 1.204 0.01 . 1 . . . . . . . . . 5689 1 606 . 1 1 57 57 THR C C 13 178.499 0.05 . 1 . . . . . . . . . 5689 1 607 . 1 1 58 58 LYS N N 15 122.658 0.05 . 1 . . . . . . . . . 5689 1 608 . 1 1 58 58 LYS H H 1 8.337 0.01 . 1 . . . . . . . . . 5689 1 609 . 1 1 58 58 LYS CA C 13 58.183 0.05 . 1 . . . . . . . . . 5689 1 610 . 1 1 58 58 LYS HA H 1 4.058 0.01 . 1 . . . . . . . . . 5689 1 611 . 1 1 58 58 LYS CB C 13 30.481 0.05 . 1 . . . . . . . . . 5689 1 612 . 1 1 58 58 LYS HB2 H 1 1.778 0.01 . 2 . . . . . . . . . 5689 1 613 . 1 1 58 58 LYS HB3 H 1 1.821 0.01 . 2 . . . . . . . . . 5689 1 614 . 1 1 58 58 LYS CG C 13 24.968 0.05 . 1 . . . . . . . . . 5689 1 615 . 1 1 58 58 LYS HG2 H 1 1.679 0.01 . 2 . . . . . . . . . 5689 1 616 . 1 1 58 58 LYS HG3 H 1 1.385 0.01 . 2 . . . . . . . . . 5689 1 617 . 1 1 58 58 LYS CD C 13 27.881 0.05 . 1 . . . . . . . . . 5689 1 618 . 1 1 58 58 LYS HD2 H 1 1.516 0.01 . 2 . . . . . . . . . 5689 1 619 . 1 1 58 58 LYS HD3 H 1 1.602 0.01 . 2 . . . . . . . . . 5689 1 620 . 1 1 58 58 LYS HE2 H 1 2.651 0.01 . 2 . . . . . . . . . 5689 1 621 . 1 1 58 58 LYS HE3 H 1 2.792 0.01 . 2 . . . . . . . . . 5689 1 622 . 1 1 58 58 LYS CE C 13 42.523 0.05 . 1 . . . . . . . . . 5689 1 623 . 1 1 58 58 LYS C C 13 178.125 0.05 . 1 . . . . . . . . . 5689 1 624 . 1 1 59 59 LEU N N 15 117.227 0.05 . 1 . . . . . . . . . 5689 1 625 . 1 1 59 59 LEU H H 1 6.924 0.01 . 1 . . . . . . . . . 5689 1 626 . 1 1 59 59 LEU CA C 13 54.405 0.05 . 1 . . . . . . . . . 5689 1 627 . 1 1 59 59 LEU HA H 1 4.235 0.01 . 1 . . . . . . . . . 5689 1 628 . 1 1 59 59 LEU CB C 13 43.975 0.05 . 1 . . . . . . . . . 5689 1 629 . 1 1 59 59 LEU HB2 H 1 1.413 0.01 . 2 . . . . . . . . . 5689 1 630 . 1 1 59 59 LEU HB3 H 1 1.414 0.01 . 2 . . . . . . . . . 5689 1 631 . 1 1 59 59 LEU CG C 13 26.629 0.05 . 1 . . . . . . . . . 5689 1 632 . 1 1 59 59 LEU HG H 1 1.540 0.01 . 1 . . . . . . . . . 5689 1 633 . 1 1 59 59 LEU CD1 C 13 23.157 0.05 . 1 . . . . . . . . . 5689 1 634 . 1 1 59 59 LEU HD11 H 1 0.787 0.01 . 2 . . . . . . . . . 5689 1 635 . 1 1 59 59 LEU HD12 H 1 0.787 0.01 . 2 . . . . . . . . . 5689 1 636 . 1 1 59 59 LEU HD13 H 1 0.787 0.01 . 2 . . . . . . . . . 5689 1 637 . 1 1 59 59 LEU CD2 C 13 26.706 0.05 . 1 . . . . . . . . . 5689 1 638 . 1 1 59 59 LEU HD21 H 1 0.369 0.01 . 2 . . . . . . . . . 5689 1 639 . 1 1 59 59 LEU HD22 H 1 0.369 0.01 . 2 . . . . . . . . . 5689 1 640 . 1 1 59 59 LEU HD23 H 1 0.369 0.01 . 2 . . . . . . . . . 5689 1 641 . 1 1 59 59 LEU C C 13 175.555 0.05 . 1 . . . . . . . . . 5689 1 642 . 1 1 60 60 ASP N N 15 116.318 0.05 . 1 . . . . . . . . . 5689 1 643 . 1 1 60 60 ASP H H 1 8.010 0.01 . 1 . . . . . . . . . 5689 1 644 . 1 1 60 60 ASP CA C 13 55.393 0.05 . 1 . . . . . . . . . 5689 1 645 . 1 1 60 60 ASP HA H 1 4.472 0.01 . 1 . . . . . . . . . 5689 1 646 . 1 1 60 60 ASP CB C 13 40.089 0.05 . 1 . . . . . . . . . 5689 1 647 . 1 1 60 60 ASP HB2 H 1 3.050 0.01 . 2 . . . . . . . . . 5689 1 648 . 1 1 60 60 ASP HB3 H 1 2.510 0.01 . 2 . . . . . . . . . 5689 1 649 . 1 1 60 60 ASP C C 13 175.333 0.05 . 1 . . . . . . . . . 5689 1 650 . 1 1 61 61 VAL N N 15 106.962 0.05 . 1 . . . . . . . . . 5689 1 651 . 1 1 61 61 VAL H H 1 7.706 0.01 . 1 . . . . . . . . . 5689 1 652 . 1 1 61 61 VAL CA C 13 62.360 0.05 . 1 . . . . . . . . . 5689 1 653 . 1 1 61 61 VAL HA H 1 4.369 0.01 . 1 . . . . . . . . . 5689 1 654 . 1 1 61 61 VAL CB C 13 31.890 0.05 . 1 . . . . . . . . . 5689 1 655 . 1 1 61 61 VAL HB H 1 1.436 0.01 . 1 . . . . . . . . . 5689 1 656 . 1 1 61 61 VAL CG2 C 13 21.535 0.05 . 1 . . . . . . . . . 5689 1 657 . 1 1 61 61 VAL HG21 H 1 0.709 0.01 . 2 . . . . . . . . . 5689 1 658 . 1 1 61 61 VAL HG22 H 1 0.709 0.01 . 2 . . . . . . . . . 5689 1 659 . 1 1 61 61 VAL HG23 H 1 0.709 0.01 . 2 . . . . . . . . . 5689 1 660 . 1 1 61 61 VAL CG1 C 13 21.535 0.05 . 1 . . . . . . . . . 5689 1 661 . 1 1 61 61 VAL HG11 H 1 0.832 0.01 . 2 . . . . . . . . . 5689 1 662 . 1 1 61 61 VAL HG12 H 1 0.832 0.01 . 2 . . . . . . . . . 5689 1 663 . 1 1 61 61 VAL HG13 H 1 0.832 0.01 . 2 . . . . . . . . . 5689 1 664 . 1 1 61 61 VAL C C 13 174.732 0.05 . 1 . . . . . . . . . 5689 1 665 . 1 1 62 62 VAL N N 15 111.465 0.05 . 1 . . . . . . . . . 5689 1 666 . 1 1 62 62 VAL H H 1 6.892 0.01 . 1 . . . . . . . . . 5689 1 667 . 1 1 62 62 VAL CA C 13 58.135 0.05 . 1 . . . . . . . . . 5689 1 668 . 1 1 62 62 VAL HA H 1 4.184 0.01 . 1 . . . . . . . . . 5689 1 669 . 1 1 62 62 VAL CB C 13 35.667 0.05 . 1 . . . . . . . . . 5689 1 670 . 1 1 62 62 VAL HB H 1 1.759 0.01 . 1 . . . . . . . . . 5689 1 671 . 1 1 62 62 VAL HG21 H 1 0.667 0.01 . 1 . . . . . . . . . 5689 1 672 . 1 1 62 62 VAL HG22 H 1 0.667 0.01 . 1 . . . . . . . . . 5689 1 673 . 1 1 62 62 VAL HG23 H 1 0.667 0.01 . 1 . . . . . . . . . 5689 1 674 . 1 1 62 62 VAL HG11 H 1 0.667 0.01 . 1 . . . . . . . . . 5689 1 675 . 1 1 62 62 VAL HG12 H 1 0.667 0.01 . 1 . . . . . . . . . 5689 1 676 . 1 1 62 62 VAL HG13 H 1 0.667 0.01 . 1 . . . . . . . . . 5689 1 677 . 1 1 62 62 VAL C C 13 174.700 0.05 . 1 . . . . . . . . . 5689 1 678 . 1 1 63 63 ASP N N 15 123.393 0.05 . 1 . . . . . . . . . 5689 1 679 . 1 1 63 63 ASP H H 1 8.391 0.01 . 1 . . . . . . . . . 5689 1 680 . 1 1 63 63 ASP CA C 13 52.502 0.05 . 1 . . . . . . . . . 5689 1 681 . 1 1 63 63 ASP HA H 1 4.790 0.01 . 1 . . . . . . . . . 5689 1 682 . 1 1 63 63 ASP HB2 H 1 2.594 0.01 . 2 . . . . . . . . . 5689 1 683 . 1 1 63 63 ASP HB3 H 1 3.427 0.01 . 2 . . . . . . . . . 5689 1 684 . 1 1 63 63 ASP CB C 13 40.100 0.05 . 1 . . . . . . . . . 5689 1 685 . 1 1 63 63 ASP C C 13 176.387 0.05 . 1 . . . . . . . . . 5689 1 686 . 1 1 64 64 PRO CA C 13 65.510 0.05 . 1 . . . . . . . . . 5689 1 687 . 1 1 64 64 PRO HA H 1 4.337 0.01 . 1 . . . . . . . . . 5689 1 688 . 1 1 64 64 PRO CB C 13 32.181 0.05 . 1 . . . . . . . . . 5689 1 689 . 1 1 64 64 PRO HB2 H 1 1.819 0.01 . 2 . . . . . . . . . 5689 1 690 . 1 1 64 64 PRO HB3 H 1 2.595 0.01 . 2 . . . . . . . . . 5689 1 691 . 1 1 64 64 PRO CG C 13 28.222 0.05 . 1 . . . . . . . . . 5689 1 692 . 1 1 64 64 PRO HG2 H 1 2.111 0.01 . 2 . . . . . . . . . 5689 1 693 . 1 1 64 64 PRO HG3 H 1 1.988 0.01 . 2 . . . . . . . . . 5689 1 694 . 1 1 64 64 PRO CD C 13 51.481 0.05 . 1 . . . . . . . . . 5689 1 695 . 1 1 64 64 PRO HD2 H 1 3.736 0.01 . 2 . . . . . . . . . 5689 1 696 . 1 1 64 64 PRO HD3 H 1 3.941 0.01 . 2 . . . . . . . . . 5689 1 697 . 1 1 64 64 PRO C C 13 176.815 0.05 . 1 . . . . . . . . . 5689 1 698 . 1 1 65 65 ASP N N 15 114.412 0.05 . 1 . . . . . . . . . 5689 1 699 . 1 1 65 65 ASP H H 1 7.805 0.01 . 1 . . . . . . . . . 5689 1 700 . 1 1 65 65 ASP CA C 13 54.157 0.05 . 1 . . . . . . . . . 5689 1 701 . 1 1 65 65 ASP HA H 1 4.768 0.01 . 1 . . . . . . . . . 5689 1 702 . 1 1 65 65 ASP CB C 13 41.681 0.05 . 1 . . . . . . . . . 5689 1 703 . 1 1 65 65 ASP HB2 H 1 2.813 0.01 . 2 . . . . . . . . . 5689 1 704 . 1 1 65 65 ASP HB3 H 1 2.650 0.01 . 2 . . . . . . . . . 5689 1 705 . 1 1 65 65 ASP C C 13 176.251 0.05 . 1 . . . . . . . . . 5689 1 706 . 1 1 66 66 GLY N N 15 108.182 0.05 . 1 . . . . . . . . . 5689 1 707 . 1 1 66 66 GLY H H 1 8.414 0.01 . 1 . . . . . . . . . 5689 1 708 . 1 1 66 66 GLY CA C 13 44.979 0.05 . 1 . . . . . . . . . 5689 1 709 . 1 1 66 66 GLY HA2 H 1 4.122 0.01 . 2 . . . . . . . . . 5689 1 710 . 1 1 66 66 GLY HA3 H 1 3.278 0.01 . 2 . . . . . . . . . 5689 1 711 . 1 1 66 66 GLY C C 13 173.369 0.05 . 1 . . . . . . . . . 5689 1 712 . 1 1 67 67 ASN N N 15 119.544 0.05 . 1 . . . . . . . . . 5689 1 713 . 1 1 67 67 ASN H H 1 8.219 0.01 . 1 . . . . . . . . . 5689 1 714 . 1 1 67 67 ASN CA C 13 51.870 0.05 . 1 . . . . . . . . . 5689 1 715 . 1 1 67 67 ASN HA H 1 4.857 0.01 . 1 . . . . . . . . . 5689 1 716 . 1 1 67 67 ASN CB C 13 39.692 0.05 . 1 . . . . . . . . . 5689 1 717 . 1 1 67 67 ASN HB2 H 1 2.913 0.01 . 2 . . . . . . . . . 5689 1 718 . 1 1 67 67 ASN HB3 H 1 2.770 0.01 . 2 . . . . . . . . . 5689 1 719 . 1 1 67 67 ASN CG C 13 176.599 0.05 . 1 . . . . . . . . . 5689 1 720 . 1 1 67 67 ASN ND2 N 15 117.282 0.05 . 1 . . . . . . . . . 5689 1 721 . 1 1 67 67 ASN HD21 H 1 8.246 0.01 . 2 . . . . . . . . . 5689 1 722 . 1 1 67 67 ASN HD22 H 1 7.012 0.01 . 2 . . . . . . . . . 5689 1 723 . 1 1 67 67 ASN C C 13 175.197 0.05 . 1 . . . . . . . . . 5689 1 724 . 1 1 68 68 LEU N N 15 126.110 0.05 . 1 . . . . . . . . . 5689 1 725 . 1 1 68 68 LEU H H 1 10.565 0.01 . 1 . . . . . . . . . 5689 1 726 . 1 1 68 68 LEU CA C 13 56.390 0.05 . 1 . . . . . . . . . 5689 1 727 . 1 1 68 68 LEU HA H 1 4.266 0.01 . 1 . . . . . . . . . 5689 1 728 . 1 1 68 68 LEU CB C 13 42.868 0.05 . 1 . . . . . . . . . 5689 1 729 . 1 1 68 68 LEU HB2 H 1 1.485 0.01 . 2 . . . . . . . . . 5689 1 730 . 1 1 68 68 LEU HB3 H 1 1.477 0.01 . 2 . . . . . . . . . 5689 1 731 . 1 1 68 68 LEU CG C 13 27.080 0.05 . 1 . . . . . . . . . 5689 1 732 . 1 1 68 68 LEU HG H 1 1.772 0.01 . 1 . . . . . . . . . 5689 1 733 . 1 1 68 68 LEU CD1 C 13 23.762 0.05 . 1 . . . . . . . . . 5689 1 734 . 1 1 68 68 LEU HD11 H 1 0.699 0.01 . 2 . . . . . . . . . 5689 1 735 . 1 1 68 68 LEU HD12 H 1 0.699 0.01 . 2 . . . . . . . . . 5689 1 736 . 1 1 68 68 LEU HD13 H 1 0.699 0.01 . 2 . . . . . . . . . 5689 1 737 . 1 1 68 68 LEU CD2 C 13 23.762 0.05 . 1 . . . . . . . . . 5689 1 738 . 1 1 68 68 LEU HD21 H 1 0.923 0.01 . 2 . . . . . . . . . 5689 1 739 . 1 1 68 68 LEU HD22 H 1 0.923 0.01 . 2 . . . . . . . . . 5689 1 740 . 1 1 68 68 LEU HD23 H 1 0.923 0.01 . 2 . . . . . . . . . 5689 1 741 . 1 1 68 68 LEU C C 13 176.942 0.05 . 1 . . . . . . . . . 5689 1 742 . 1 1 69 69 HIS N N 15 107.272 0.05 . 1 . . . . . . . . . 5689 1 743 . 1 1 69 69 HIS H H 1 9.052 0.01 . 1 . . . . . . . . . 5689 1 744 . 1 1 69 69 HIS CA C 13 54.275 0.05 . 1 . . . . . . . . . 5689 1 745 . 1 1 69 69 HIS HA H 1 4.224 0.01 . 1 . . . . . . . . . 5689 1 746 . 1 1 69 69 HIS HB2 H 1 2.463 0.01 . 2 . . . . . . . . . 5689 1 747 . 1 1 69 69 HIS HB3 H 1 3.128 0.01 . 2 . . . . . . . . . 5689 1 748 . 1 1 69 69 HIS CB C 13 30.868 0.05 . 1 . . . . . . . . . 5689 1 749 . 1 1 69 69 HIS C C 13 173.763 0.05 . 1 . . . . . . . . . 5689 1 750 . 1 1 70 70 HIS N N 15 117.501 0.05 . 1 . . . . . . . . . 5689 1 751 . 1 1 70 70 HIS H H 1 6.941 0.01 . 1 . . . . . . . . . 5689 1 752 . 1 1 70 70 HIS CA C 13 60.766 0.05 . 1 . . . . . . . . . 5689 1 753 . 1 1 70 70 HIS HA H 1 3.941 0.01 . 1 . . . . . . . . . 5689 1 754 . 1 1 70 70 HIS CB C 13 30.666 0.05 . 1 . . . . . . . . . 5689 1 755 . 1 1 70 70 HIS HB2 H 1 3.132 0.01 . 2 . . . . . . . . . 5689 1 756 . 1 1 70 70 HIS HB3 H 1 3.089 0.01 . 2 . . . . . . . . . 5689 1 757 . 1 1 70 70 HIS C C 13 177.255 0.05 . 1 . . . . . . . . . 5689 1 758 . 1 1 71 71 GLY N N 15 107.193 0.05 . 1 . . . . . . . . . 5689 1 759 . 1 1 71 71 GLY H H 1 8.568 0.01 . 1 . . . . . . . . . 5689 1 760 . 1 1 71 71 GLY CA C 13 47.439 0.05 . 1 . . . . . . . . . 5689 1 761 . 1 1 71 71 GLY HA2 H 1 4.083 0.01 . 2 . . . . . . . . . 5689 1 762 . 1 1 71 71 GLY HA3 H 1 3.908 0.01 . 2 . . . . . . . . . 5689 1 763 . 1 1 71 71 GLY C C 13 176.641 0.05 . 1 . . . . . . . . . 5689 1 764 . 1 1 72 72 ASN N N 15 124.267 0.05 . 1 . . . . . . . . . 5689 1 765 . 1 1 72 72 ASN H H 1 10.564 0.01 . 1 . . . . . . . . . 5689 1 766 . 1 1 72 72 ASN CA C 13 55.144 0.05 . 1 . . . . . . . . . 5689 1 767 . 1 1 72 72 ASN HA H 1 4.536 0.01 . 1 . . . . . . . . . 5689 1 768 . 1 1 72 72 ASN CB C 13 36.868 0.05 . 1 . . . . . . . . . 5689 1 769 . 1 1 72 72 ASN HB2 H 1 2.747 0.01 . 2 . . . . . . . . . 5689 1 770 . 1 1 72 72 ASN HB3 H 1 2.765 0.01 . 2 . . . . . . . . . 5689 1 771 . 1 1 72 72 ASN CG C 13 175.155 0.05 . 1 . . . . . . . . . 5689 1 772 . 1 1 72 72 ASN ND2 N 15 108.684 0.05 . 1 . . . . . . . . . 5689 1 773 . 1 1 72 72 ASN HD21 H 1 6.310 0.01 . 2 . . . . . . . . . 5689 1 774 . 1 1 72 72 ASN HD22 H 1 7.181 0.01 . 2 . . . . . . . . . 5689 1 775 . 1 1 72 72 ASN C C 13 179.427 0.05 . 1 . . . . . . . . . 5689 1 776 . 1 1 73 73 ALA N N 15 124.474 0.05 . 1 . . . . . . . . . 5689 1 777 . 1 1 73 73 ALA H H 1 9.066 0.01 . 1 . . . . . . . . . 5689 1 778 . 1 1 73 73 ALA CA C 13 55.719 0.05 . 1 . . . . . . . . . 5689 1 779 . 1 1 73 73 ALA HA H 1 4.183 0.01 . 1 . . . . . . . . . 5689 1 780 . 1 1 73 73 ALA CB C 13 19.172 0.05 . 1 . . . . . . . . . 5689 1 781 . 1 1 73 73 ALA HB1 H 1 1.586 0.01 . 1 . . . . . . . . . 5689 1 782 . 1 1 73 73 ALA HB2 H 1 1.586 0.01 . 1 . . . . . . . . . 5689 1 783 . 1 1 73 73 ALA HB3 H 1 1.586 0.01 . 1 . . . . . . . . . 5689 1 784 . 1 1 73 73 ALA C C 13 178.210 0.05 . 1 . . . . . . . . . 5689 1 785 . 1 1 74 74 LYS N N 15 118.919 0.05 . 1 . . . . . . . . . 5689 1 786 . 1 1 74 74 LYS H H 1 8.240 0.01 . 1 . . . . . . . . . 5689 1 787 . 1 1 74 74 LYS CA C 13 60.547 0.05 . 1 . . . . . . . . . 5689 1 788 . 1 1 74 74 LYS HA H 1 3.782 0.01 . 1 . . . . . . . . . 5689 1 789 . 1 1 74 74 LYS CB C 13 32.660 0.05 . 1 . . . . . . . . . 5689 1 790 . 1 1 74 74 LYS HB2 H 1 2.005 0.01 . 2 . . . . . . . . . 5689 1 791 . 1 1 74 74 LYS HB3 H 1 1.794 0.01 . 2 . . . . . . . . . 5689 1 792 . 1 1 74 74 LYS CG C 13 26.468 0.05 . 1 . . . . . . . . . 5689 1 793 . 1 1 74 74 LYS HG2 H 1 1.405 0.01 . 2 . . . . . . . . . 5689 1 794 . 1 1 74 74 LYS HG3 H 1 1.070 0.01 . 2 . . . . . . . . . 5689 1 795 . 1 1 74 74 LYS CD C 13 30.057 0.05 . 1 . . . . . . . . . 5689 1 796 . 1 1 74 74 LYS HD2 H 1 1.605 0.01 . 1 . . . . . . . . . 5689 1 797 . 1 1 74 74 LYS HD3 H 1 1.605 0.01 . 1 . . . . . . . . . 5689 1 798 . 1 1 74 74 LYS CE C 13 40.389 0.05 . 1 . . . . . . . . . 5689 1 799 . 1 1 74 74 LYS HE2 H 1 2.842 0.01 . 1 . . . . . . . . . 5689 1 800 . 1 1 74 74 LYS HE3 H 1 2.842 0.01 . 1 . . . . . . . . . 5689 1 801 . 1 1 74 74 LYS C C 13 178.206 0.05 . 1 . . . . . . . . . 5689 1 802 . 1 1 75 75 ASP N N 15 118.206 0.05 . 1 . . . . . . . . . 5689 1 803 . 1 1 75 75 ASP H H 1 8.072 0.01 . 1 . . . . . . . . . 5689 1 804 . 1 1 75 75 ASP CA C 13 57.667 0.05 . 1 . . . . . . . . . 5689 1 805 . 1 1 75 75 ASP HA H 1 4.379 0.01 . 1 . . . . . . . . . 5689 1 806 . 1 1 75 75 ASP CB C 13 41.175 0.05 . 1 . . . . . . . . . 5689 1 807 . 1 1 75 75 ASP HB2 H 1 2.707 0.01 . 2 . . . . . . . . . 5689 1 808 . 1 1 75 75 ASP HB3 H 1 2.854 0.01 . 2 . . . . . . . . . 5689 1 809 . 1 1 75 75 ASP C C 13 178.204 0.05 . 1 . . . . . . . . . 5689 1 810 . 1 1 76 76 PHE N N 15 120.554 0.05 . 1 . . . . . . . . . 5689 1 811 . 1 1 76 76 PHE H H 1 8.287 0.01 . 1 . . . . . . . . . 5689 1 812 . 1 1 76 76 PHE CA C 13 61.543 0.05 . 1 . . . . . . . . . 5689 1 813 . 1 1 76 76 PHE HA H 1 4.197 0.01 . 1 . . . . . . . . . 5689 1 814 . 1 1 76 76 PHE CB C 13 38.919 0.05 . 1 . . . . . . . . . 5689 1 815 . 1 1 76 76 PHE HB2 H 1 3.421 0.01 . 2 . . . . . . . . . 5689 1 816 . 1 1 76 76 PHE HB3 H 1 3.329 0.01 . 2 . . . . . . . . . 5689 1 817 . 1 1 76 76 PHE HD1 H 1 7.371 0.01 . 1 . . . . . . . . . 5689 1 818 . 1 1 76 76 PHE HE1 H 1 6.753 0.01 . 1 . . . . . . . . . 5689 1 819 . 1 1 76 76 PHE HE2 H 1 6.753 0.01 . 1 . . . . . . . . . 5689 1 820 . 1 1 76 76 PHE HD2 H 1 7.371 0.01 . 1 . . . . . . . . . 5689 1 821 . 1 1 76 76 PHE C C 13 176.615 0.05 . 1 . . . . . . . . . 5689 1 822 . 1 1 77 77 ALA N N 15 119.886 0.05 . 1 . . . . . . . . . 5689 1 823 . 1 1 77 77 ALA H H 1 8.231 0.01 . 1 . . . . . . . . . 5689 1 824 . 1 1 77 77 ALA CA C 13 54.544 0.05 . 1 . . . . . . . . . 5689 1 825 . 1 1 77 77 ALA HA H 1 3.950 0.01 . 1 . . . . . . . . . 5689 1 826 . 1 1 77 77 ALA CB C 13 16.919 0.05 . 1 . . . . . . . . . 5689 1 827 . 1 1 77 77 ALA HB1 H 1 1.477 0.01 . 1 . . . . . . . . . 5689 1 828 . 1 1 77 77 ALA HB2 H 1 1.477 0.01 . 1 . . . . . . . . . 5689 1 829 . 1 1 77 77 ALA HB3 H 1 1.477 0.01 . 1 . . . . . . . . . 5689 1 830 . 1 1 77 77 ALA C C 13 179.560 0.05 . 1 . . . . . . . . . 5689 1 831 . 1 1 78 78 MET N N 15 116.197 0.05 . 1 . . . . . . . . . 5689 1 832 . 1 1 78 78 MET H H 1 8.308 0.01 . 1 . . . . . . . . . 5689 1 833 . 1 1 78 78 MET CA C 13 58.254 0.05 . 1 . . . . . . . . . 5689 1 834 . 1 1 78 78 MET HA H 1 4.835 0.01 . 1 . . . . . . . . . 5689 1 835 . 1 1 78 78 MET CB C 13 32.148 0.05 . 1 . . . . . . . . . 5689 1 836 . 1 1 78 78 MET HB2 H 1 2.173 0.01 . 2 . . . . . . . . . 5689 1 837 . 1 1 78 78 MET HB3 H 1 2.064 0.01 . 2 . . . . . . . . . 5689 1 838 . 1 1 78 78 MET CG C 13 32.148 0.05 . 1 . . . . . . . . . 5689 1 839 . 1 1 78 78 MET HG2 H 1 2.292 0.01 . 2 . . . . . . . . . 5689 1 840 . 1 1 78 78 MET HG3 H 1 2.718 0.01 . 2 . . . . . . . . . 5689 1 841 . 1 1 78 78 MET HE1 H 1 1.482 0.01 . 1 . . . . . . . . . 5689 1 842 . 1 1 78 78 MET HE2 H 1 1.482 0.01 . 1 . . . . . . . . . 5689 1 843 . 1 1 78 78 MET HE3 H 1 1.482 0.01 . 1 . . . . . . . . . 5689 1 844 . 1 1 78 78 MET C C 13 179.587 0.05 . 1 . . . . . . . . . 5689 1 845 . 1 1 79 79 LYS N N 15 121.098 0.05 . 1 . . . . . . . . . 5689 1 846 . 1 1 79 79 LYS H H 1 8.248 0.01 . 1 . . . . . . . . . 5689 1 847 . 1 1 79 79 LYS CA C 13 59.013 0.05 . 1 . . . . . . . . . 5689 1 848 . 1 1 79 79 LYS HA H 1 3.910 0.01 . 1 . . . . . . . . . 5689 1 849 . 1 1 79 79 LYS CB C 13 31.963 0.05 . 1 . . . . . . . . . 5689 1 850 . 1 1 79 79 LYS HB2 H 1 1.381 0.01 . 2 . . . . . . . . . 5689 1 851 . 1 1 79 79 LYS HB3 H 1 1.674 0.01 . 2 . . . . . . . . . 5689 1 852 . 1 1 79 79 LYS CG C 13 24.882 0.05 . 1 . . . . . . . . . 5689 1 853 . 1 1 79 79 LYS HG2 H 1 1.226 0.01 . 2 . . . . . . . . . 5689 1 854 . 1 1 79 79 LYS HG3 H 1 1.015 0.01 . 2 . . . . . . . . . 5689 1 855 . 1 1 79 79 LYS CD C 13 29.270 0.05 . 1 . . . . . . . . . 5689 1 856 . 1 1 79 79 LYS HD2 H 1 1.764 0.01 . 1 . . . . . . . . . 5689 1 857 . 1 1 79 79 LYS HD3 H 1 1.764 0.01 . 1 . . . . . . . . . 5689 1 858 . 1 1 79 79 LYS CE C 13 42.119 0.05 . 1 . . . . . . . . . 5689 1 859 . 1 1 79 79 LYS HE2 H 1 2.912 0.01 . 1 . . . . . . . . . 5689 1 860 . 1 1 79 79 LYS HE3 H 1 2.912 0.01 . 1 . . . . . . . . . 5689 1 861 . 1 1 79 79 LYS C C 13 177.302 0.05 . 1 . . . . . . . . . 5689 1 862 . 1 1 80 80 HIS N N 15 113.785 0.05 . 1 . . . . . . . . . 5689 1 863 . 1 1 80 80 HIS H H 1 6.807 0.01 . 1 . . . . . . . . . 5689 1 864 . 1 1 80 80 HIS CA C 13 55.660 0.05 . 1 . . . . . . . . . 5689 1 865 . 1 1 80 80 HIS HA H 1 4.661 0.01 . 1 . . . . . . . . . 5689 1 866 . 1 1 80 80 HIS CB C 13 29.742 0.05 . 1 . . . . . . . . . 5689 1 867 . 1 1 80 80 HIS HB2 H 1 2.362 0.01 . 2 . . . . . . . . . 5689 1 868 . 1 1 80 80 HIS HB3 H 1 3.193 0.01 . 2 . . . . . . . . . 5689 1 869 . 1 1 80 80 HIS C C 13 174.288 0.05 . 1 . . . . . . . . . 5689 1 870 . 1 1 81 81 GLY N N 15 103.704 0.05 . 1 . . . . . . . . . 5689 1 871 . 1 1 81 81 GLY H H 1 7.165 0.01 . 1 . . . . . . . . . 5689 1 872 . 1 1 81 81 GLY CA C 13 45.518 0.05 . 1 . . . . . . . . . 5689 1 873 . 1 1 81 81 GLY HA2 H 1 3.568 0.01 . 2 . . . . . . . . . 5689 1 874 . 1 1 81 81 GLY HA3 H 1 4.435 0.01 . 2 . . . . . . . . . 5689 1 875 . 1 1 81 81 GLY C C 13 174.351 0.05 . 1 . . . . . . . . . 5689 1 876 . 1 1 82 82 ALA N N 15 122.806 0.05 . 1 . . . . . . . . . 5689 1 877 . 1 1 82 82 ALA H H 1 8.047 0.01 . 1 . . . . . . . . . 5689 1 878 . 1 1 82 82 ALA CA C 13 51.953 0.05 . 1 . . . . . . . . . 5689 1 879 . 1 1 82 82 ALA HA H 1 4.385 0.01 . 1 . . . . . . . . . 5689 1 880 . 1 1 82 82 ALA CB C 13 19.451 0.05 . 1 . . . . . . . . . 5689 1 881 . 1 1 82 82 ALA HB1 H 1 1.119 0.01 . 1 . . . . . . . . . 5689 1 882 . 1 1 82 82 ALA HB2 H 1 1.119 0.01 . 1 . . . . . . . . . 5689 1 883 . 1 1 82 82 ALA HB3 H 1 1.119 0.01 . 1 . . . . . . . . . 5689 1 884 . 1 1 82 82 ALA C C 13 176.701 0.05 . 1 . . . . . . . . . 5689 1 885 . 1 1 83 83 ASP N N 15 119.861 0.05 . 1 . . . . . . . . . 5689 1 886 . 1 1 83 83 ASP H H 1 7.702 0.01 . 1 . . . . . . . . . 5689 1 887 . 1 1 83 83 ASP CA C 13 52.448 0.05 . 1 . . . . . . . . . 5689 1 888 . 1 1 83 83 ASP HA H 1 4.664 0.01 . 1 . . . . . . . . . 5689 1 889 . 1 1 83 83 ASP CB C 13 41.114 0.05 . 1 . . . . . . . . . 5689 1 890 . 1 1 83 83 ASP HB2 H 1 3.133 0.01 . 2 . . . . . . . . . 5689 1 891 . 1 1 83 83 ASP HB3 H 1 2.781 0.01 . 2 . . . . . . . . . 5689 1 892 . 1 1 83 83 ASP C C 13 175.353 0.05 . 1 . . . . . . . . . 5689 1 893 . 1 1 84 84 GLU N N 15 119.454 0.05 . 1 . . . . . . . . . 5689 1 894 . 1 1 84 84 GLU H H 1 8.799 0.01 . 1 . . . . . . . . . 5689 1 895 . 1 1 84 84 GLU CA C 13 60.569 0.05 . 1 . . . . . . . . . 5689 1 896 . 1 1 84 84 GLU HA H 1 4.073 0.01 . 1 . . . . . . . . . 5689 1 897 . 1 1 84 84 GLU CB C 13 29.715 0.05 . 1 . . . . . . . . . 5689 1 898 . 1 1 84 84 GLU HB2 H 1 1.986 0.01 . 2 . . . . . . . . . 5689 1 899 . 1 1 84 84 GLU HB3 H 1 2.168 0.01 . 2 . . . . . . . . . 5689 1 900 . 1 1 84 84 GLU CG C 13 36.338 0.05 . 1 . . . . . . . . . 5689 1 901 . 1 1 84 84 GLU HG2 H 1 2.377 0.01 . 1 . . . . . . . . . 5689 1 902 . 1 1 84 84 GLU HG3 H 1 2.377 0.01 . 1 . . . . . . . . . 5689 1 903 . 1 1 84 84 GLU C C 13 178.216 0.05 . 1 . . . . . . . . . 5689 1 904 . 1 1 85 85 THR N N 15 114.497 0.05 . 1 . . . . . . . . . 5689 1 905 . 1 1 85 85 THR H H 1 7.893 0.01 . 1 . . . . . . . . . 5689 1 906 . 1 1 85 85 THR CA C 13 66.195 0.05 . 1 . . . . . . . . . 5689 1 907 . 1 1 85 85 THR HA H 1 3.989 0.01 . 1 . . . . . . . . . 5689 1 908 . 1 1 85 85 THR CB C 13 68.437 0.05 . 1 . . . . . . . . . 5689 1 909 . 1 1 85 85 THR HB H 1 4.262 0.01 . 1 . . . . . . . . . 5689 1 910 . 1 1 85 85 THR CG2 C 13 21.852 0.05 . 1 . . . . . . . . . 5689 1 911 . 1 1 85 85 THR HG21 H 1 1.330 0.01 . 1 . . . . . . . . . 5689 1 912 . 1 1 85 85 THR HG22 H 1 1.330 0.01 . 1 . . . . . . . . . 5689 1 913 . 1 1 85 85 THR HG23 H 1 1.330 0.01 . 1 . . . . . . . . . 5689 1 914 . 1 1 85 85 THR C C 13 176.799 0.05 . 1 . . . . . . . . . 5689 1 915 . 1 1 86 86 MET N N 15 123.919 0.05 . 1 . . . . . . . . . 5689 1 916 . 1 1 86 86 MET H H 1 8.552 0.01 . 1 . . . . . . . . . 5689 1 917 . 1 1 86 86 MET CA C 13 59.015 0.05 . 1 . . . . . . . . . 5689 1 918 . 1 1 86 86 MET HA H 1 4.279 0.01 . 1 . . . . . . . . . 5689 1 919 . 1 1 86 86 MET CB C 13 32.818 0.05 . 1 . . . . . . . . . 5689 1 920 . 1 1 86 86 MET HB2 H 1 2.309 0.01 . 2 . . . . . . . . . 5689 1 921 . 1 1 86 86 MET HB3 H 1 2.172 0.01 . 2 . . . . . . . . . 5689 1 922 . 1 1 86 86 MET CG C 13 32.818 0.05 . 1 . . . . . . . . . 5689 1 923 . 1 1 86 86 MET HG2 H 1 2.500 0.01 . 2 . . . . . . . . . 5689 1 924 . 1 1 86 86 MET HG3 H 1 1.796 0.01 . 2 . . . . . . . . . 5689 1 925 . 1 1 86 86 MET HE1 H 1 1.540 0.01 . 1 . . . . . . . . . 5689 1 926 . 1 1 86 86 MET HE2 H 1 1.540 0.01 . 1 . . . . . . . . . 5689 1 927 . 1 1 86 86 MET HE3 H 1 1.540 0.01 . 1 . . . . . . . . . 5689 1 928 . 1 1 86 86 MET C C 13 177.789 0.05 . 1 . . . . . . . . . 5689 1 929 . 1 1 87 87 ALA N N 15 120.029 0.05 . 1 . . . . . . . . . 5689 1 930 . 1 1 87 87 ALA H H 1 8.914 0.01 . 1 . . . . . . . . . 5689 1 931 . 1 1 87 87 ALA CA C 13 55.598 0.05 . 1 . . . . . . . . . 5689 1 932 . 1 1 87 87 ALA HA H 1 3.852 0.01 . 1 . . . . . . . . . 5689 1 933 . 1 1 87 87 ALA CB C 13 20.056 0.05 . 1 . . . . . . . . . 5689 1 934 . 1 1 87 87 ALA HB1 H 1 1.541 0.01 . 1 . . . . . . . . . 5689 1 935 . 1 1 87 87 ALA HB2 H 1 1.541 0.01 . 1 . . . . . . . . . 5689 1 936 . 1 1 87 87 ALA HB3 H 1 1.541 0.01 . 1 . . . . . . . . . 5689 1 937 . 1 1 87 87 ALA C C 13 178.521 0.05 . 1 . . . . . . . . . 5689 1 938 . 1 1 88 88 GLN N N 15 115.659 0.05 . 1 . . . . . . . . . 5689 1 939 . 1 1 88 88 GLN H H 1 8.205 0.01 . 1 . . . . . . . . . 5689 1 940 . 1 1 88 88 GLN CA C 13 58.104 0.05 . 1 . . . . . . . . . 5689 1 941 . 1 1 88 88 GLN HA H 1 3.870 0.01 . 1 . . . . . . . . . 5689 1 942 . 1 1 88 88 GLN CB C 13 28.514 0.05 . 1 . . . . . . . . . 5689 1 943 . 1 1 88 88 GLN HB2 H 1 2.218 0.01 . 2 . . . . . . . . . 5689 1 944 . 1 1 88 88 GLN HB3 H 1 2.274 0.01 . 2 . . . . . . . . . 5689 1 945 . 1 1 88 88 GLN CG C 13 33.513 0.05 . 1 . . . . . . . . . 5689 1 946 . 1 1 88 88 GLN HG2 H 1 2.455 0.01 . 1 . . . . . . . . . 5689 1 947 . 1 1 88 88 GLN HG3 H 1 2.455 0.01 . 1 . . . . . . . . . 5689 1 948 . 1 1 88 88 GLN CD C 13 179.837 0.05 . 1 . . . . . . . . . 5689 1 949 . 1 1 88 88 GLN NE2 N 15 116.357 0.05 . 1 . . . . . . . . . 5689 1 950 . 1 1 88 88 GLN HE21 H 1 7.943 0.01 . 2 . . . . . . . . . 5689 1 951 . 1 1 88 88 GLN HE22 H 1 6.891 0.01 . 2 . . . . . . . . . 5689 1 952 . 1 1 88 88 GLN C C 13 177.225 0.05 . 1 . . . . . . . . . 5689 1 953 . 1 1 89 89 GLN N N 15 119.334 0.05 . 1 . . . . . . . . . 5689 1 954 . 1 1 89 89 GLN H H 1 8.209 0.01 . 1 . . . . . . . . . 5689 1 955 . 1 1 89 89 GLN CA C 13 59.496 0.05 . 1 . . . . . . . . . 5689 1 956 . 1 1 89 89 GLN HA H 1 4.257 0.01 . 1 . . . . . . . . . 5689 1 957 . 1 1 89 89 GLN CB C 13 28.489 0.05 . 1 . . . . . . . . . 5689 1 958 . 1 1 89 89 GLN HB2 H 1 2.301 0.01 . 2 . . . . . . . . . 5689 1 959 . 1 1 89 89 GLN HB3 H 1 2.545 0.01 . 2 . . . . . . . . . 5689 1 960 . 1 1 89 89 GLN CG C 13 34.203 0.05 . 1 . . . . . . . . . 5689 1 961 . 1 1 89 89 GLN HG2 H 1 2.661 0.01 . 2 . . . . . . . . . 5689 1 962 . 1 1 89 89 GLN HG3 H 1 2.454 0.01 . 2 . . . . . . . . . 5689 1 963 . 1 1 89 89 GLN CD C 13 179.058 0.05 . 1 . . . . . . . . . 5689 1 964 . 1 1 89 89 GLN NE2 N 15 109.374 0.05 . 1 . . . . . . . . . 5689 1 965 . 1 1 89 89 GLN HE21 H 1 7.161 0.01 . 2 . . . . . . . . . 5689 1 966 . 1 1 89 89 GLN HE22 H 1 6.625 0.01 . 2 . . . . . . . . . 5689 1 967 . 1 1 89 89 GLN C C 13 178.932 0.05 . 1 . . . . . . . . . 5689 1 968 . 1 1 90 90 LEU N N 15 117.907 0.05 . 1 . . . . . . . . . 5689 1 969 . 1 1 90 90 LEU H H 1 8.468 0.01 . 1 . . . . . . . . . 5689 1 970 . 1 1 90 90 LEU CA C 13 58.839 0.05 . 1 . . . . . . . . . 5689 1 971 . 1 1 90 90 LEU HA H 1 4.244 0.01 . 1 . . . . . . . . . 5689 1 972 . 1 1 90 90 LEU CB C 13 42.598 0.05 . 1 . . . . . . . . . 5689 1 973 . 1 1 90 90 LEU HB2 H 1 1.445 0.01 . 2 . . . . . . . . . 5689 1 974 . 1 1 90 90 LEU HB3 H 1 2.263 0.01 . 2 . . . . . . . . . 5689 1 975 . 1 1 90 90 LEU CG C 13 24.479 0.05 . 1 . . . . . . . . . 5689 1 976 . 1 1 90 90 LEU HG H 1 1.270 0.01 . 1 . . . . . . . . . 5689 1 977 . 1 1 90 90 LEU CD1 C 13 26.631 0.05 . 1 . . . . . . . . . 5689 1 978 . 1 1 90 90 LEU HD11 H 1 0.974 0.01 . 1 . . . . . . . . . 5689 1 979 . 1 1 90 90 LEU HD12 H 1 0.974 0.01 . 1 . . . . . . . . . 5689 1 980 . 1 1 90 90 LEU HD13 H 1 0.974 0.01 . 1 . . . . . . . . . 5689 1 981 . 1 1 90 90 LEU CD2 C 13 26.631 0.05 . 1 . . . . . . . . . 5689 1 982 . 1 1 90 90 LEU HD21 H 1 0.974 0.01 . 1 . . . . . . . . . 5689 1 983 . 1 1 90 90 LEU HD22 H 1 0.974 0.01 . 1 . . . . . . . . . 5689 1 984 . 1 1 90 90 LEU HD23 H 1 0.974 0.01 . 1 . . . . . . . . . 5689 1 985 . 1 1 90 90 LEU C C 13 178.581 0.05 . 1 . . . . . . . . . 5689 1 986 . 1 1 91 91 VAL N N 15 118.270 0.05 . 1 . . . . . . . . . 5689 1 987 . 1 1 91 91 VAL H H 1 7.726 0.01 . 1 . . . . . . . . . 5689 1 988 . 1 1 91 91 VAL CA C 13 67.206 0.05 . 1 . . . . . . . . . 5689 1 989 . 1 1 91 91 VAL HA H 1 3.317 0.01 . 1 . . . . . . . . . 5689 1 990 . 1 1 91 91 VAL CB C 13 31.426 0.05 . 1 . . . . . . . . . 5689 1 991 . 1 1 91 91 VAL HB H 1 2.184 0.01 . 1 . . . . . . . . . 5689 1 992 . 1 1 91 91 VAL CG2 C 13 23.221 0.05 . 2 . . . . . . . . . 5689 1 993 . 1 1 91 91 VAL HG21 H 1 1.039 0.01 . 2 . . . . . . . . . 5689 1 994 . 1 1 91 91 VAL HG22 H 1 1.039 0.01 . 2 . . . . . . . . . 5689 1 995 . 1 1 91 91 VAL HG23 H 1 1.039 0.01 . 2 . . . . . . . . . 5689 1 996 . 1 1 91 91 VAL CG1 C 13 21.607 0.05 . 2 . . . . . . . . . 5689 1 997 . 1 1 91 91 VAL HG11 H 1 0.640 0.01 . 2 . . . . . . . . . 5689 1 998 . 1 1 91 91 VAL HG12 H 1 0.640 0.01 . 2 . . . . . . . . . 5689 1 999 . 1 1 91 91 VAL HG13 H 1 0.640 0.01 . 2 . . . . . . . . . 5689 1 1000 . 1 1 91 91 VAL C C 13 177.084 0.05 . 1 . . . . . . . . . 5689 1 1001 . 1 1 92 92 ASP N N 15 120.589 0.05 . 1 . . . . . . . . . 5689 1 1002 . 1 1 92 92 ASP H H 1 8.797 0.01 . 1 . . . . . . . . . 5689 1 1003 . 1 1 92 92 ASP CA C 13 57.804 0.05 . 1 . . . . . . . . . 5689 1 1004 . 1 1 92 92 ASP HA H 1 4.510 0.01 . 1 . . . . . . . . . 5689 1 1005 . 1 1 92 92 ASP CB C 13 39.963 0.05 . 1 . . . . . . . . . 5689 1 1006 . 1 1 92 92 ASP HB2 H 1 2.695 0.01 . 2 . . . . . . . . . 5689 1 1007 . 1 1 92 92 ASP HB3 H 1 2.986 0.01 . 2 . . . . . . . . . 5689 1 1008 . 1 1 92 92 ASP C C 13 180.755 0.05 . 1 . . . . . . . . . 5689 1 1009 . 1 1 93 93 ILE N N 15 122.238 0.05 . 1 . . . . . . . . . 5689 1 1010 . 1 1 93 93 ILE H H 1 8.629 0.01 . 1 . . . . . . . . . 5689 1 1011 . 1 1 93 93 ILE CA C 13 65.203 0.05 . 1 . . . . . . . . . 5689 1 1012 . 1 1 93 93 ILE HA H 1 3.878 0.01 . 1 . . . . . . . . . 5689 1 1013 . 1 1 93 93 ILE CB C 13 38.797 0.05 . 1 . . . . . . . . . 5689 1 1014 . 1 1 93 93 ILE HB H 1 2.187 0.01 . 1 . . . . . . . . . 5689 1 1015 . 1 1 93 93 ILE CG1 C 13 29.358 0.05 . 1 . . . . . . . . . 5689 1 1016 . 1 1 93 93 ILE HG12 H 1 2.112 0.01 . 2 . . . . . . . . . 5689 1 1017 . 1 1 93 93 ILE HG13 H 1 1.072 0.01 . 2 . . . . . . . . . 5689 1 1018 . 1 1 93 93 ILE HD11 H 1 0.751 0.01 . 4 . . . . . . . . . 5689 1 1019 . 1 1 93 93 ILE HD12 H 1 0.751 0.01 . 4 . . . . . . . . . 5689 1 1020 . 1 1 93 93 ILE HD13 H 1 0.751 0.01 . 4 . . . . . . . . . 5689 1 1021 . 1 1 93 93 ILE HG21 H 1 0.751 0.01 . 4 . . . . . . . . . 5689 1 1022 . 1 1 93 93 ILE HG22 H 1 0.751 0.01 . 4 . . . . . . . . . 5689 1 1023 . 1 1 93 93 ILE HG23 H 1 0.751 0.01 . 4 . . . . . . . . . 5689 1 1024 . 1 1 93 93 ILE C C 13 179.155 0.05 . 1 . . . . . . . . . 5689 1 1025 . 1 1 94 94 ILE N N 15 120.819 0.05 . 1 . . . . . . . . . 5689 1 1026 . 1 1 94 94 ILE H H 1 8.240 0.01 . 1 . . . . . . . . . 5689 1 1027 . 1 1 94 94 ILE CA C 13 67.045 0.05 . 1 . . . . . . . . . 5689 1 1028 . 1 1 94 94 ILE HA H 1 3.366 0.01 . 1 . . . . . . . . . 5689 1 1029 . 1 1 94 94 ILE CB C 13 37.081 0.05 . 1 . . . . . . . . . 5689 1 1030 . 1 1 94 94 ILE HB H 1 1.835 0.01 . 1 . . . . . . . . . 5689 1 1031 . 1 1 94 94 ILE CG1 C 13 31.356 0.05 . 1 . . . . . . . . . 5689 1 1032 . 1 1 94 94 ILE HG12 H 1 0.455 0.01 . 1 . . . . . . . . . 5689 1 1033 . 1 1 94 94 ILE HG13 H 1 2.053 0.01 . 1 . . . . . . . . . 5689 1 1034 . 1 1 94 94 ILE CD1 C 13 18.953 0.05 . 1 . . . . . . . . . 5689 1 1035 . 1 1 94 94 ILE HD11 H 1 0.801 0.01 . 1 . . . . . . . . . 5689 1 1036 . 1 1 94 94 ILE HD12 H 1 0.801 0.01 . 1 . . . . . . . . . 5689 1 1037 . 1 1 94 94 ILE HD13 H 1 0.801 0.01 . 1 . . . . . . . . . 5689 1 1038 . 1 1 94 94 ILE CG2 C 13 18.953 0.05 . 1 . . . . . . . . . 5689 1 1039 . 1 1 94 94 ILE HG21 H 1 0.465 0.01 . 1 . . . . . . . . . 5689 1 1040 . 1 1 94 94 ILE HG22 H 1 0.465 0.01 . 1 . . . . . . . . . 5689 1 1041 . 1 1 94 94 ILE HG23 H 1 0.465 0.01 . 1 . . . . . . . . . 5689 1 1042 . 1 1 94 94 ILE C C 13 177.544 0.05 . 1 . . . . . . . . . 5689 1 1043 . 1 1 95 95 HIS N N 15 119.559 0.05 . 1 . . . . . . . . . 5689 1 1044 . 1 1 95 95 HIS H H 1 9.377 0.01 . 1 . . . . . . . . . 5689 1 1045 . 1 1 95 95 HIS CA C 13 58.805 0.05 . 1 . . . . . . . . . 5689 1 1046 . 1 1 95 95 HIS HA H 1 4.514 0.01 . 1 . . . . . . . . . 5689 1 1047 . 1 1 95 95 HIS CB C 13 30.187 0.05 . 1 . . . . . . . . . 5689 1 1048 . 1 1 95 95 HIS HB2 H 1 3.030 0.01 . 2 . . . . . . . . . 5689 1 1049 . 1 1 95 95 HIS HB3 H 1 3.385 0.01 . 2 . . . . . . . . . 5689 1 1050 . 1 1 95 95 HIS C C 13 177.871 0.05 . 1 . . . . . . . . . 5689 1 1051 . 1 1 96 96 GLY N N 15 106.338 0.05 . 1 . . . . . . . . . 5689 1 1052 . 1 1 96 96 GLY H H 1 8.549 0.01 . 1 . . . . . . . . . 5689 1 1053 . 1 1 96 96 GLY CA C 13 47.215 0.05 . 1 . . . . . . . . . 5689 1 1054 . 1 1 96 96 GLY HA2 H 1 3.686 0.01 . 2 . . . . . . . . . 5689 1 1055 . 1 1 96 96 GLY HA3 H 1 4.019 0.01 . 2 . . . . . . . . . 5689 1 1056 . 1 1 96 96 GLY C C 13 177.320 0.05 . 1 . . . . . . . . . 5689 1 1057 . 1 1 97 97 CYS N N 15 121.751 0.05 . 1 . . . . . . . . . 5689 1 1058 . 1 1 97 97 CYS H H 1 8.278 0.01 . 1 . . . . . . . . . 5689 1 1059 . 1 1 97 97 CYS CA C 13 56.860 0.05 . 1 . . . . . . . . . 5689 1 1060 . 1 1 97 97 CYS HA H 1 4.696 0.01 . 1 . . . . . . . . . 5689 1 1061 . 1 1 97 97 CYS CB C 13 38.741 0.05 . 1 . . . . . . . . . 5689 1 1062 . 1 1 97 97 CYS HB2 H 1 3.141 0.01 . 2 . . . . . . . . . 5689 1 1063 . 1 1 97 97 CYS HB3 H 1 3.514 0.01 . 2 . . . . . . . . . 5689 1 1064 . 1 1 97 97 CYS C C 13 177.061 0.05 . 1 . . . . . . . . . 5689 1 1065 . 1 1 98 98 GLU N N 15 122.238 0.05 . 1 . . . . . . . . . 5689 1 1066 . 1 1 98 98 GLU H H 1 8.869 0.01 . 1 . . . . . . . . . 5689 1 1067 . 1 1 98 98 GLU CA C 13 59.780 0.05 . 1 . . . . . . . . . 5689 1 1068 . 1 1 98 98 GLU HA H 1 3.972 0.01 . 1 . . . . . . . . . 5689 1 1069 . 1 1 98 98 GLU CB C 13 29.940 0.05 . 1 . . . . . . . . . 5689 1 1070 . 1 1 98 98 GLU HB2 H 1 2.633 0.01 . 2 . . . . . . . . . 5689 1 1071 . 1 1 98 98 GLU HB3 H 1 2.104 0.01 . 2 . . . . . . . . . 5689 1 1072 . 1 1 98 98 GLU CG C 13 37.094 0.05 . 1 . . . . . . . . . 5689 1 1073 . 1 1 98 98 GLU HG2 H 1 2.166 0.01 . 2 . . . . . . . . . 5689 1 1074 . 1 1 98 98 GLU HG3 H 1 2.260 0.01 . 2 . . . . . . . . . 5689 1 1075 . 1 1 98 98 GLU C C 13 179.247 0.05 . 1 . . . . . . . . . 5689 1 1076 . 1 1 99 99 LYS N N 15 117.281 0.05 . 1 . . . . . . . . . 5689 1 1077 . 1 1 99 99 LYS H H 1 7.988 0.01 . 1 . . . . . . . . . 5689 1 1078 . 1 1 99 99 LYS CA C 13 58.132 0.05 . 1 . . . . . . . . . 5689 1 1079 . 1 1 99 99 LYS HA H 1 4.106 0.01 . 1 . . . . . . . . . 5689 1 1080 . 1 1 99 99 LYS CB C 13 32.274 0.05 . 1 . . . . . . . . . 5689 1 1081 . 1 1 99 99 LYS HB2 H 1 1.846 0.01 . 1 . . . . . . . . . 5689 1 1082 . 1 1 99 99 LYS HB3 H 1 1.846 0.01 . 1 . . . . . . . . . 5689 1 1083 . 1 1 99 99 LYS CG C 13 24.650 0.05 . 1 . . . . . . . . . 5689 1 1084 . 1 1 99 99 LYS HG2 H 1 1.427 0.01 . 2 . . . . . . . . . 5689 1 1085 . 1 1 99 99 LYS HG3 H 1 1.386 0.01 . 2 . . . . . . . . . 5689 1 1086 . 1 1 99 99 LYS CD C 13 28.843 0.05 . 1 . . . . . . . . . 5689 1 1087 . 1 1 99 99 LYS HD2 H 1 1.686 0.01 . 1 . . . . . . . . . 5689 1 1088 . 1 1 99 99 LYS HD3 H 1 1.686 0.01 . 1 . . . . . . . . . 5689 1 1089 . 1 1 99 99 LYS CE C 13 41.752 0.05 . 1 . . . . . . . . . 5689 1 1090 . 1 1 99 99 LYS HE2 H 1 2.586 0.01 . 1 . . . . . . . . . 5689 1 1091 . 1 1 99 99 LYS HE3 H 1 2.586 0.01 . 1 . . . . . . . . . 5689 1 1092 . 1 1 99 99 LYS C C 13 178.007 0.05 . 1 . . . . . . . . . 5689 1 1093 . 1 1 100 100 SER N N 15 112.080 0.05 . 1 . . . . . . . . . 5689 1 1094 . 1 1 100 100 SER H H 1 7.714 0.01 . 1 . . . . . . . . . 5689 1 1095 . 1 1 100 100 SER CA C 13 58.592 0.05 . 1 . . . . . . . . . 5689 1 1096 . 1 1 100 100 SER HA H 1 4.429 0.01 . 1 . . . . . . . . . 5689 1 1097 . 1 1 100 100 SER CB C 13 64.115 0.05 . 1 . . . . . . . . . 5689 1 1098 . 1 1 100 100 SER HB2 H 1 4.014 0.01 . 2 . . . . . . . . . 5689 1 1099 . 1 1 100 100 SER HB3 H 1 3.865 0.01 . 2 . . . . . . . . . 5689 1 1100 . 1 1 100 100 SER C C 13 173.930 0.05 . 1 . . . . . . . . . 5689 1 1101 . 1 1 101 101 ALA N N 15 127.239 0.05 . 1 . . . . . . . . . 5689 1 1102 . 1 1 101 101 ALA H H 1 7.269 0.01 . 1 . . . . . . . . . 5689 1 1103 . 1 1 101 101 ALA CA C 13 50.558 0.05 . 1 . . . . . . . . . 5689 1 1104 . 1 1 101 101 ALA HA H 1 4.572 0.01 . 1 . . . . . . . . . 5689 1 1105 . 1 1 101 101 ALA CB C 13 17.514 0.05 . 1 . . . . . . . . . 5689 1 1106 . 1 1 101 101 ALA HB1 H 1 1.410 0.01 . 1 . . . . . . . . . 5689 1 1107 . 1 1 101 101 ALA HB2 H 1 1.410 0.01 . 1 . . . . . . . . . 5689 1 1108 . 1 1 101 101 ALA HB3 H 1 1.410 0.01 . 1 . . . . . . . . . 5689 1 1109 . 1 1 101 101 ALA C C 13 174.794 0.05 . 1 . . . . . . . . . 5689 1 1110 . 1 1 102 102 PRO CA C 13 61.345 0.05 . 1 . . . . . . . . . 5689 1 1111 . 1 1 102 102 PRO CB C 13 30.582 0.05 . 1 . . . . . . . . . 5689 1 1112 . 1 1 102 102 PRO CG C 13 27.675 0.05 . 1 . . . . . . . . . 5689 1 1113 . 1 1 102 102 PRO HA H 1 4.668 0.01 . 1 . . . . . . . . . 5689 1 1114 . 1 1 102 102 PRO HB2 H 1 2.357 0.01 . 2 . . . . . . . . . 5689 1 1115 . 1 1 102 102 PRO HB3 H 1 1.896 0.01 . 2 . . . . . . . . . 5689 1 1116 . 1 1 102 102 PRO HG2 H 1 2.061 0.01 . 1 . . . . . . . . . 5689 1 1117 . 1 1 102 102 PRO HG3 H 1 2.061 0.01 . 1 . . . . . . . . . 5689 1 1118 . 1 1 102 102 PRO CD C 13 50.558 0.05 . 1 . . . . . . . . . 5689 1 1119 . 1 1 102 102 PRO HD2 H 1 3.925 0.01 . 2 . . . . . . . . . 5689 1 1120 . 1 1 102 102 PRO HD3 H 1 3.645 0.01 . 2 . . . . . . . . . 5689 1 1121 . 1 1 102 102 PRO C C 13 174.419 0.05 . 1 . . . . . . . . . 5689 1 1122 . 1 1 103 103 PRO CA C 13 63.044 0.05 . 1 . . . . . . . . . 5689 1 1123 . 1 1 103 103 PRO HA H 1 4.317 0.01 . 1 . . . . . . . . . 5689 1 1124 . 1 1 103 103 PRO CB C 13 31.791 0.05 . 1 . . . . . . . . . 5689 1 1125 . 1 1 103 103 PRO HB2 H 1 1.861 0.01 . 2 . . . . . . . . . 5689 1 1126 . 1 1 103 103 PRO HB3 H 1 2.243 0.01 . 2 . . . . . . . . . 5689 1 1127 . 1 1 103 103 PRO CG C 13 27.578 0.05 . 1 . . . . . . . . . 5689 1 1128 . 1 1 103 103 PRO HG2 H 1 2.036 0.01 . 1 . . . . . . . . . 5689 1 1129 . 1 1 103 103 PRO HG3 H 1 2.036 0.01 . 1 . . . . . . . . . 5689 1 1130 . 1 1 103 103 PRO CD C 13 50.301 0.05 . 1 . . . . . . . . . 5689 1 1131 . 1 1 103 103 PRO HD2 H 1 3.804 0.01 . 2 . . . . . . . . . 5689 1 1132 . 1 1 103 103 PRO HD3 H 1 3.615 0.01 . 2 . . . . . . . . . 5689 1 1133 . 1 1 103 103 PRO C C 13 176.405 0.05 . 1 . . . . . . . . . 5689 1 1134 . 1 1 104 104 ASN N N 15 121.401 0.05 . 1 . . . . . . . . . 5689 1 1135 . 1 1 104 104 ASN H H 1 8.243 0.01 . 1 . . . . . . . . . 5689 1 1136 . 1 1 104 104 ASN CA C 13 53.479 0.05 . 1 . . . . . . . . . 5689 1 1137 . 1 1 104 104 ASN HA H 1 4.560 0.01 . 1 . . . . . . . . . 5689 1 1138 . 1 1 104 104 ASN CB C 13 42.442 0.05 . 1 . . . . . . . . . 5689 1 1139 . 1 1 104 104 ASN HB2 H 1 2.552 0.01 . 2 . . . . . . . . . 5689 1 1140 . 1 1 104 104 ASN HB3 H 1 2.682 0.01 . 2 . . . . . . . . . 5689 1 1141 . 1 1 104 104 ASN CG C 13 177.568 0.05 . 1 . . . . . . . . . 5689 1 1142 . 1 1 104 104 ASN ND2 N 15 114.194 0.05 . 1 . . . . . . . . . 5689 1 1143 . 1 1 104 104 ASN HD21 H 1 8.307 0.01 . 2 . . . . . . . . . 5689 1 1144 . 1 1 104 104 ASN HD22 H 1 6.737 0.01 . 2 . . . . . . . . . 5689 1 1145 . 1 1 104 104 ASN C C 13 174.619 0.05 . 1 . . . . . . . . . 5689 1 1146 . 1 1 105 105 ASP N N 15 124.693 0.05 . 1 . . . . . . . . . 5689 1 1147 . 1 1 105 105 ASP H H 1 8.704 0.01 . 1 . . . . . . . . . 5689 1 1148 . 1 1 105 105 ASP CA C 13 55.125 0.05 . 1 . . . . . . . . . 5689 1 1149 . 1 1 105 105 ASP HA H 1 4.571 0.01 . 1 . . . . . . . . . 5689 1 1150 . 1 1 105 105 ASP CB C 13 40.956 0.05 . 1 . . . . . . . . . 5689 1 1151 . 1 1 105 105 ASP HB2 H 1 2.655 0.01 . 1 . . . . . . . . . 5689 1 1152 . 1 1 105 105 ASP HB3 H 1 2.655 0.01 . 1 . . . . . . . . . 5689 1 1153 . 1 1 105 105 ASP C C 13 175.688 0.05 . 1 . . . . . . . . . 5689 1 1154 . 1 1 106 106 ASP N N 15 119.797 0.05 . 1 . . . . . . . . . 5689 1 1155 . 1 1 106 106 ASP H H 1 8.557 0.01 . 1 . . . . . . . . . 5689 1 1156 . 1 1 106 106 ASP CA C 13 52.377 0.05 . 1 . . . . . . . . . 5689 1 1157 . 1 1 106 106 ASP HA H 1 4.766 0.01 . 1 . . . . . . . . . 5689 1 1158 . 1 1 106 106 ASP CB C 13 41.564 0.05 . 1 . . . . . . . . . 5689 1 1159 . 1 1 106 106 ASP HB2 H 1 2.938 0.01 . 2 . . . . . . . . . 5689 1 1160 . 1 1 106 106 ASP HB3 H 1 2.584 0.01 . 2 . . . . . . . . . 5689 1 1161 . 1 1 106 106 ASP C C 13 176.637 0.05 . 1 . . . . . . . . . 5689 1 1162 . 1 1 107 107 LYS N N 15 126.267 0.05 . 1 . . . . . . . . . 5689 1 1163 . 1 1 107 107 LYS H H 1 8.851 0.01 . 1 . . . . . . . . . 5689 1 1164 . 1 1 107 107 LYS CA C 13 58.738 0.05 . 1 . . . . . . . . . 5689 1 1165 . 1 1 107 107 LYS HA H 1 4.135 0.01 . 1 . . . . . . . . . 5689 1 1166 . 1 1 107 107 LYS CB C 13 32.249 0.05 . 1 . . . . . . . . . 5689 1 1167 . 1 1 107 107 LYS HB2 H 1 1.843 0.01 . 1 . . . . . . . . . 5689 1 1168 . 1 1 107 107 LYS HB3 H 1 1.843 0.01 . 1 . . . . . . . . . 5689 1 1169 . 1 1 107 107 LYS CG C 13 24.387 0.05 . 1 . . . . . . . . . 5689 1 1170 . 1 1 107 107 LYS HG2 H 1 1.320 0.01 . 1 . . . . . . . . . 5689 1 1171 . 1 1 107 107 LYS HG3 H 1 1.320 0.01 . 1 . . . . . . . . . 5689 1 1172 . 1 1 107 107 LYS CD C 13 29.213 0.05 . 1 . . . . . . . . . 5689 1 1173 . 1 1 107 107 LYS HD2 H 1 1.499 0.01 . 1 . . . . . . . . . 5689 1 1174 . 1 1 107 107 LYS HD3 H 1 1.499 0.01 . 1 . . . . . . . . . 5689 1 1175 . 1 1 107 107 LYS CE C 13 41.130 0.05 . 1 . . . . . . . . . 5689 1 1176 . 1 1 107 107 LYS HE2 H 1 2.908 0.01 . 1 . . . . . . . . . 5689 1 1177 . 1 1 107 107 LYS HE3 H 1 2.908 0.01 . 1 . . . . . . . . . 5689 1 1178 . 1 1 107 107 LYS C C 13 179.685 0.05 . 1 . . . . . . . . . 5689 1 1179 . 1 1 108 108 CYS N N 15 119.310 0.05 . 1 . . . . . . . . . 5689 1 1180 . 1 1 108 108 CYS H H 1 8.503 0.01 . 1 . . . . . . . . . 5689 1 1181 . 1 1 108 108 CYS CA C 13 61.378 0.05 . 1 . . . . . . . . . 5689 1 1182 . 1 1 108 108 CYS HA H 1 3.996 0.01 . 1 . . . . . . . . . 5689 1 1183 . 1 1 108 108 CYS CB C 13 44.368 0.05 . 1 . . . . . . . . . 5689 1 1184 . 1 1 108 108 CYS HB2 H 1 3.234 0.01 . 2 . . . . . . . . . 5689 1 1185 . 1 1 108 108 CYS HB3 H 1 3.811 0.01 . 2 . . . . . . . . . 5689 1 1186 . 1 1 108 108 CYS C C 13 175.437 0.05 . 1 . . . . . . . . . 5689 1 1187 . 1 1 109 109 MET N N 15 116.835 0.05 . 1 . . . . . . . . . 5689 1 1188 . 1 1 109 109 MET H H 1 7.169 0.01 . 1 . . . . . . . . . 5689 1 1189 . 1 1 109 109 MET CA C 13 56.127 0.05 . 1 . . . . . . . . . 5689 1 1190 . 1 1 109 109 MET HA H 1 4.394 0.01 . 1 . . . . . . . . . 5689 1 1191 . 1 1 109 109 MET CB C 13 31.566 0.05 . 1 . . . . . . . . . 5689 1 1192 . 1 1 109 109 MET HB2 H 1 2.121 0.01 . 1 . . . . . . . . . 5689 1 1193 . 1 1 109 109 MET HB3 H 1 2.121 0.01 . 1 . . . . . . . . . 5689 1 1194 . 1 1 109 109 MET CG C 13 31.566 0.05 . 1 . . . . . . . . . 5689 1 1195 . 1 1 109 109 MET HG2 H 1 2.490 0.01 . 2 . . . . . . . . . 5689 1 1196 . 1 1 109 109 MET HG3 H 1 2.829 0.01 . 2 . . . . . . . . . 5689 1 1197 . 1 1 109 109 MET HE1 H 1 1.823 0.01 . 1 . . . . . . . . . 5689 1 1198 . 1 1 109 109 MET HE2 H 1 1.823 0.01 . 1 . . . . . . . . . 5689 1 1199 . 1 1 109 109 MET HE3 H 1 1.823 0.01 . 1 . . . . . . . . . 5689 1 1200 . 1 1 109 109 MET C C 13 179.277 0.05 . 1 . . . . . . . . . 5689 1 1201 . 1 1 110 110 LYS N N 15 121.547 0.05 . 1 . . . . . . . . . 5689 1 1202 . 1 1 110 110 LYS H H 1 8.057 0.01 . 1 . . . . . . . . . 5689 1 1203 . 1 1 110 110 LYS CA C 13 58.721 0.05 . 1 . . . . . . . . . 5689 1 1204 . 1 1 110 110 LYS HA H 1 4.505 0.01 . 1 . . . . . . . . . 5689 1 1205 . 1 1 110 110 LYS CB C 13 32.441 0.05 . 1 . . . . . . . . . 5689 1 1206 . 1 1 110 110 LYS HB2 H 1 2.127 0.01 . 2 . . . . . . . . . 5689 1 1207 . 1 1 110 110 LYS HB3 H 1 1.812 0.01 . 2 . . . . . . . . . 5689 1 1208 . 1 1 110 110 LYS CG C 13 24.366 0.05 . 1 . . . . . . . . . 5689 1 1209 . 1 1 110 110 LYS HG2 H 1 1.562 0.01 . 1 . . . . . . . . . 5689 1 1210 . 1 1 110 110 LYS HG3 H 1 1.562 0.01 . 1 . . . . . . . . . 5689 1 1211 . 1 1 110 110 LYS CD C 13 29.560 0.05 . 1 . . . . . . . . . 5689 1 1212 . 1 1 110 110 LYS HD2 H 1 1.812 0.01 . 1 . . . . . . . . . 5689 1 1213 . 1 1 110 110 LYS HD3 H 1 1.812 0.01 . 1 . . . . . . . . . 5689 1 1214 . 1 1 110 110 LYS CE C 13 42.291 0.05 . 1 . . . . . . . . . 5689 1 1215 . 1 1 110 110 LYS HE2 H 1 2.874 0.01 . 2 . . . . . . . . . 5689 1 1216 . 1 1 110 110 LYS HE3 H 1 2.562 0.01 . 2 . . . . . . . . . 5689 1 1217 . 1 1 110 110 LYS C C 13 178.285 0.05 . 1 . . . . . . . . . 5689 1 1218 . 1 1 111 111 THR N N 15 113.410 0.05 . 1 . . . . . . . . . 5689 1 1219 . 1 1 111 111 THR H H 1 7.528 0.01 . 1 . . . . . . . . . 5689 1 1220 . 1 1 111 111 THR CA C 13 67.939 0.05 . 1 . . . . . . . . . 5689 1 1221 . 1 1 111 111 THR HA H 1 4.217 0.01 . 1 . . . . . . . . . 5689 1 1222 . 1 1 111 111 THR CB C 13 67.596 0.05 . 1 . . . . . . . . . 5689 1 1223 . 1 1 111 111 THR HB H 1 3.836 0.01 . 1 . . . . . . . . . 5689 1 1224 . 1 1 111 111 THR CG2 C 13 22.750 0.05 . 1 . . . . . . . . . 5689 1 1225 . 1 1 111 111 THR HG21 H 1 1.261 0.01 . 1 . . . . . . . . . 5689 1 1226 . 1 1 111 111 THR HG22 H 1 1.261 0.01 . 1 . . . . . . . . . 5689 1 1227 . 1 1 111 111 THR HG23 H 1 1.261 0.01 . 1 . . . . . . . . . 5689 1 1228 . 1 1 111 111 THR C C 13 175.375 0.05 . 1 . . . . . . . . . 5689 1 1229 . 1 1 112 112 ILE N N 15 120.937 0.05 . 1 . . . . . . . . . 5689 1 1230 . 1 1 112 112 ILE H H 1 7.225 0.01 . 1 . . . . . . . . . 5689 1 1231 . 1 1 112 112 ILE CA C 13 66.424 0.05 . 1 . . . . . . . . . 5689 1 1232 . 1 1 112 112 ILE HA H 1 3.827 0.01 . 1 . . . . . . . . . 5689 1 1233 . 1 1 112 112 ILE CB C 13 37.860 0.05 . 1 . . . . . . . . . 5689 1 1234 . 1 1 112 112 ILE HB H 1 2.017 0.01 . 1 . . . . . . . . . 5689 1 1235 . 1 1 112 112 ILE CG1 C 13 28.363 0.05 . 1 . . . . . . . . . 5689 1 1236 . 1 1 112 112 ILE HG12 H 1 1.940 0.01 . 2 . . . . . . . . . 5689 1 1237 . 1 1 112 112 ILE HG13 H 1 0.812 0.01 . 2 . . . . . . . . . 5689 1 1238 . 1 1 112 112 ILE CD1 C 13 13.462 0.05 . 1 . . . . . . . . . 5689 1 1239 . 1 1 112 112 ILE HD11 H 1 0.788 0.01 . 4 . . . . . . . . . 5689 1 1240 . 1 1 112 112 ILE HD12 H 1 0.788 0.01 . 4 . . . . . . . . . 5689 1 1241 . 1 1 112 112 ILE HD13 H 1 0.788 0.01 . 4 . . . . . . . . . 5689 1 1242 . 1 1 112 112 ILE CG2 C 13 16.935 0.05 . 1 . . . . . . . . . 5689 1 1243 . 1 1 112 112 ILE HG21 H 1 0.813 0.01 . 4 . . . . . . . . . 5689 1 1244 . 1 1 112 112 ILE HG22 H 1 0.813 0.01 . 4 . . . . . . . . . 5689 1 1245 . 1 1 112 112 ILE HG23 H 1 0.813 0.01 . 4 . . . . . . . . . 5689 1 1246 . 1 1 112 112 ILE C C 13 177.056 0.05 . 1 . . . . . . . . . 5689 1 1247 . 1 1 113 113 ASP N N 15 118.254 0.05 . 1 . . . . . . . . . 5689 1 1248 . 1 1 113 113 ASP H H 1 7.021 0.01 . 1 . . . . . . . . . 5689 1 1249 . 1 1 113 113 ASP CA C 13 57.901 0.05 . 1 . . . . . . . . . 5689 1 1250 . 1 1 113 113 ASP HA H 1 4.506 0.01 . 1 . . . . . . . . . 5689 1 1251 . 1 1 113 113 ASP CB C 13 40.628 0.05 . 1 . . . . . . . . . 5689 1 1252 . 1 1 113 113 ASP HB2 H 1 2.760 0.01 . 2 . . . . . . . . . 5689 1 1253 . 1 1 113 113 ASP HB3 H 1 2.890 0.01 . 2 . . . . . . . . . 5689 1 1254 . 1 1 113 113 ASP C C 13 180.482 0.05 . 1 . . . . . . . . . 5689 1 1255 . 1 1 114 114 VAL N N 15 121.535 0.05 . 1 . . . . . . . . . 5689 1 1256 . 1 1 114 114 VAL H H 1 8.434 0.01 . 1 . . . . . . . . . 5689 1 1257 . 1 1 114 114 VAL CA C 13 67.731 0.05 . 1 . . . . . . . . . 5689 1 1258 . 1 1 114 114 VAL HA H 1 3.511 0.01 . 1 . . . . . . . . . 5689 1 1259 . 1 1 114 114 VAL CB C 13 32.264 0.05 . 1 . . . . . . . . . 5689 1 1260 . 1 1 114 114 VAL HB H 1 2.134 0.01 . 1 . . . . . . . . . 5689 1 1261 . 1 1 114 114 VAL CG2 C 13 23.325 0.05 . 2 . . . . . . . . . 5689 1 1262 . 1 1 114 114 VAL HG21 H 1 1.084 0.01 . 2 . . . . . . . . . 5689 1 1263 . 1 1 114 114 VAL HG22 H 1 1.084 0.01 . 2 . . . . . . . . . 5689 1 1264 . 1 1 114 114 VAL HG23 H 1 1.084 0.01 . 2 . . . . . . . . . 5689 1 1265 . 1 1 114 114 VAL CG1 C 13 21.667 0.05 . 2 . . . . . . . . . 5689 1 1266 . 1 1 114 114 VAL HG11 H 1 0.944 0.01 . 2 . . . . . . . . . 5689 1 1267 . 1 1 114 114 VAL HG12 H 1 0.944 0.01 . 2 . . . . . . . . . 5689 1 1268 . 1 1 114 114 VAL HG13 H 1 0.944 0.01 . 2 . . . . . . . . . 5689 1 1269 . 1 1 114 114 VAL C C 13 177.309 0.05 . 1 . . . . . . . . . 5689 1 1270 . 1 1 115 115 ALA N N 15 122.217 0.05 . 1 . . . . . . . . . 5689 1 1271 . 1 1 115 115 ALA H H 1 9.358 0.01 . 1 . . . . . . . . . 5689 1 1272 . 1 1 115 115 ALA CA C 13 55.885 0.05 . 1 . . . . . . . . . 5689 1 1273 . 1 1 115 115 ALA HA H 1 4.140 0.01 . 1 . . . . . . . . . 5689 1 1274 . 1 1 115 115 ALA CB C 13 18.062 0.05 . 1 . . . . . . . . . 5689 1 1275 . 1 1 115 115 ALA HB1 H 1 1.580 0.01 . 1 . . . . . . . . . 5689 1 1276 . 1 1 115 115 ALA HB2 H 1 1.580 0.01 . 1 . . . . . . . . . 5689 1 1277 . 1 1 115 115 ALA HB3 H 1 1.580 0.01 . 1 . . . . . . . . . 5689 1 1278 . 1 1 115 115 ALA C C 13 179.858 0.05 . 1 . . . . . . . . . 5689 1 1279 . 1 1 116 116 MET N N 15 115.119 0.05 . 1 . . . . . . . . . 5689 1 1280 . 1 1 116 116 MET H H 1 8.828 0.01 . 1 . . . . . . . . . 5689 1 1281 . 1 1 116 116 MET CA C 13 56.247 0.05 . 1 . . . . . . . . . 5689 1 1282 . 1 1 116 116 MET HA H 1 4.677 0.01 . 1 . . . . . . . . . 5689 1 1283 . 1 1 116 116 MET CB C 13 32.524 0.05 . 1 . . . . . . . . . 5689 1 1284 . 1 1 116 116 MET HB2 H 1 2.816 0.01 . 1 . . . . . . . . . 5689 1 1285 . 1 1 116 116 MET HB3 H 1 3.090 0.01 . 1 . . . . . . . . . 5689 1 1286 . 1 1 116 116 MET CG C 13 30.987 0.05 . 1 . . . . . . . . . 5689 1 1287 . 1 1 116 116 MET HG2 H 1 2.088 0.01 . 1 . . . . . . . . . 5689 1 1288 . 1 1 116 116 MET HG3 H 1 2.448 0.01 . 1 . . . . . . . . . 5689 1 1289 . 1 1 116 116 MET CE C 13 19.897 0.05 . 1 . . . . . . . . . 5689 1 1290 . 1 1 116 116 MET HE1 H 1 1.584 0.01 . 1 . . . . . . . . . 5689 1 1291 . 1 1 116 116 MET HE2 H 1 1.584 0.01 . 1 . . . . . . . . . 5689 1 1292 . 1 1 116 116 MET HE3 H 1 1.584 0.01 . 1 . . . . . . . . . 5689 1 1293 . 1 1 116 116 MET C C 13 178.688 0.05 . 1 . . . . . . . . . 5689 1 1294 . 1 1 117 117 CYS N N 15 122.801 0.05 . 1 . . . . . . . . . 5689 1 1295 . 1 1 117 117 CYS H H 1 7.859 0.01 . 1 . . . . . . . . . 5689 1 1296 . 1 1 117 117 CYS CA C 13 59.752 0.05 . 1 . . . . . . . . . 5689 1 1297 . 1 1 117 117 CYS HA H 1 4.415 0.01 . 1 . . . . . . . . . 5689 1 1298 . 1 1 117 117 CYS CB C 13 36.904 0.05 . 1 . . . . . . . . . 5689 1 1299 . 1 1 117 117 CYS HB2 H 1 3.502 0.01 . 2 . . . . . . . . . 5689 1 1300 . 1 1 117 117 CYS HB3 H 1 3.347 0.01 . 2 . . . . . . . . . 5689 1 1301 . 1 1 117 117 CYS C C 13 175.509 0.05 . 1 . . . . . . . . . 5689 1 1302 . 1 1 118 118 PHE N N 15 124.105 0.05 . 1 . . . . . . . . . 5689 1 1303 . 1 1 118 118 PHE H H 1 9.005 0.01 . 1 . . . . . . . . . 5689 1 1304 . 1 1 118 118 PHE CA C 13 61.114 0.05 . 1 . . . . . . . . . 5689 1 1305 . 1 1 118 118 PHE HA H 1 4.053 0.01 . 1 . . . . . . . . . 5689 1 1306 . 1 1 118 118 PHE CB C 13 39.382 0.05 . 1 . . . . . . . . . 5689 1 1307 . 1 1 118 118 PHE HB2 H 1 3.514 0.01 . 2 . . . . . . . . . 5689 1 1308 . 1 1 118 118 PHE HB3 H 1 3.012 0.01 . 2 . . . . . . . . . 5689 1 1309 . 1 1 118 118 PHE HD1 H 1 7.212 0.01 . 1 . . . . . . . . . 5689 1 1310 . 1 1 118 118 PHE HE1 H 1 7.354 0.01 . 1 . . . . . . . . . 5689 1 1311 . 1 1 118 118 PHE HE2 H 1 7.354 0.01 . 1 . . . . . . . . . 5689 1 1312 . 1 1 118 118 PHE HD2 H 1 7.212 0.01 . 1 . . . . . . . . . 5689 1 1313 . 1 1 118 118 PHE C C 13 175.835 0.05 . 1 . . . . . . . . . 5689 1 1314 . 1 1 119 119 LYS N N 15 119.474 0.05 . 1 . . . . . . . . . 5689 1 1315 . 1 1 119 119 LYS H H 1 8.811 0.01 . 1 . . . . . . . . . 5689 1 1316 . 1 1 119 119 LYS CA C 13 60.289 0.05 . 1 . . . . . . . . . 5689 1 1317 . 1 1 119 119 LYS HA H 1 3.925 0.01 . 1 . . . . . . . . . 5689 1 1318 . 1 1 119 119 LYS CB C 13 33.821 0.05 . 1 . . . . . . . . . 5689 1 1319 . 1 1 119 119 LYS HB2 H 1 1.984 0.01 . 2 . . . . . . . . . 5689 1 1320 . 1 1 119 119 LYS HB3 H 1 2.108 0.01 . 2 . . . . . . . . . 5689 1 1321 . 1 1 119 119 LYS CG C 13 26.119 0.05 . 1 . . . . . . . . . 5689 1 1322 . 1 1 119 119 LYS HG2 H 1 1.300 0.01 . 1 . . . . . . . . . 5689 1 1323 . 1 1 119 119 LYS HG3 H 1 1.300 0.01 . 1 . . . . . . . . . 5689 1 1324 . 1 1 119 119 LYS CD C 13 29.783 0.05 . 1 . . . . . . . . . 5689 1 1325 . 1 1 119 119 LYS HD2 H 1 1.539 0.01 . 1 . . . . . . . . . 5689 1 1326 . 1 1 119 119 LYS HD3 H 1 1.539 0.01 . 1 . . . . . . . . . 5689 1 1327 . 1 1 119 119 LYS CE C 13 40.777 0.05 . 1 . . . . . . . . . 5689 1 1328 . 1 1 119 119 LYS HE2 H 1 3.006 0.01 . 2 . . . . . . . . . 5689 1 1329 . 1 1 119 119 LYS HE3 H 1 3.134 0.01 . 2 . . . . . . . . . 5689 1 1330 . 1 1 119 119 LYS C C 13 178.055 0.05 . 1 . . . . . . . . . 5689 1 1331 . 1 1 120 120 LYS N N 15 117.400 0.05 . 1 . . . . . . . . . 5689 1 1332 . 1 1 120 120 LYS H H 1 7.941 0.01 . 1 . . . . . . . . . 5689 1 1333 . 1 1 120 120 LYS CA C 13 59.887 0.05 . 1 . . . . . . . . . 5689 1 1334 . 1 1 120 120 LYS HA H 1 4.075 0.01 . 1 . . . . . . . . . 5689 1 1335 . 1 1 120 120 LYS CB C 13 32.292 0.05 . 1 . . . . . . . . . 5689 1 1336 . 1 1 120 120 LYS HB2 H 1 2.084 0.01 . 2 . . . . . . . . . 5689 1 1337 . 1 1 120 120 LYS HB3 H 1 1.890 0.01 . 2 . . . . . . . . . 5689 1 1338 . 1 1 120 120 LYS CG C 13 25.256 0.05 . 1 . . . . . . . . . 5689 1 1339 . 1 1 120 120 LYS HG2 H 1 1.669 0.01 . 2 . . . . . . . . . 5689 1 1340 . 1 1 120 120 LYS HG3 H 1 1.482 0.01 . 2 . . . . . . . . . 5689 1 1341 . 1 1 120 120 LYS CD C 13 29.475 0.05 . 1 . . . . . . . . . 5689 1 1342 . 1 1 120 120 LYS HD2 H 1 1.686 0.01 . 1 . . . . . . . . . 5689 1 1343 . 1 1 120 120 LYS HD3 H 1 1.686 0.01 . 1 . . . . . . . . . 5689 1 1344 . 1 1 120 120 LYS CE C 13 42.144 0.05 . 1 . . . . . . . . . 5689 1 1345 . 1 1 120 120 LYS HE2 H 1 3.043 0.01 . 2 . . . . . . . . . 5689 1 1346 . 1 1 120 120 LYS HE3 H 1 3.129 0.01 . 2 . . . . . . . . . 5689 1 1347 . 1 1 120 120 LYS C C 13 179.779 0.05 . 1 . . . . . . . . . 5689 1 1348 . 1 1 121 121 GLU N N 15 119.314 0.05 . 1 . . . . . . . . . 5689 1 1349 . 1 1 121 121 GLU H H 1 8.014 0.01 . 1 . . . . . . . . . 5689 1 1350 . 1 1 121 121 GLU CA C 13 58.539 0.05 . 1 . . . . . . . . . 5689 1 1351 . 1 1 121 121 GLU HA H 1 4.110 0.01 . 1 . . . . . . . . . 5689 1 1352 . 1 1 121 121 GLU CB C 13 29.355 0.05 . 1 . . . . . . . . . 5689 1 1353 . 1 1 121 121 GLU HB2 H 1 2.041 0.01 . 1 . . . . . . . . . 5689 1 1354 . 1 1 121 121 GLU HB3 H 1 2.041 0.01 . 1 . . . . . . . . . 5689 1 1355 . 1 1 121 121 GLU CG C 13 35.409 0.05 . 1 . . . . . . . . . 5689 1 1356 . 1 1 121 121 GLU HG2 H 1 2.278 0.01 . 2 . . . . . . . . . 5689 1 1357 . 1 1 121 121 GLU HG3 H 1 2.532 0.01 . 2 . . . . . . . . . 5689 1 1358 . 1 1 121 121 GLU C C 13 178.662 0.05 . 1 . . . . . . . . . 5689 1 1359 . 1 1 122 122 ILE N N 15 120.313 0.05 . 1 . . . . . . . . . 5689 1 1360 . 1 1 122 122 ILE H H 1 8.209 0.01 . 1 . . . . . . . . . 5689 1 1361 . 1 1 122 122 ILE CA C 13 61.754 0.05 . 1 . . . . . . . . . 5689 1 1362 . 1 1 122 122 ILE HA H 1 3.583 0.01 . 1 . . . . . . . . . 5689 1 1363 . 1 1 122 122 ILE CB C 13 34.328 0.05 . 1 . . . . . . . . . 5689 1 1364 . 1 1 122 122 ILE HB H 1 2.309 0.01 . 1 . . . . . . . . . 5689 1 1365 . 1 1 122 122 ILE CG1 C 13 26.726 0.05 . 1 . . . . . . . . . 5689 1 1366 . 1 1 122 122 ILE HG12 H 1 0.682 0.01 . 2 . . . . . . . . . 5689 1 1367 . 1 1 122 122 ILE HG13 H 1 1.259 0.01 . 2 . . . . . . . . . 5689 1 1368 . 1 1 122 122 ILE HD11 H 1 0.787 0.01 . 1 . . . . . . . . . 5689 1 1369 . 1 1 122 122 ILE HD12 H 1 0.787 0.01 . 1 . . . . . . . . . 5689 1 1370 . 1 1 122 122 ILE HD13 H 1 0.787 0.01 . 1 . . . . . . . . . 5689 1 1371 . 1 1 122 122 ILE CG2 C 13 18.914 0.05 . 1 . . . . . . . . . 5689 1 1372 . 1 1 122 122 ILE HG21 H 1 0.576 0.01 . 1 . . . . . . . . . 5689 1 1373 . 1 1 122 122 ILE HG22 H 1 0.576 0.01 . 1 . . . . . . . . . 5689 1 1374 . 1 1 122 122 ILE HG23 H 1 0.576 0.01 . 1 . . . . . . . . . 5689 1 1375 . 1 1 122 122 ILE C C 13 179.347 0.05 . 1 . . . . . . . . . 5689 1 1376 . 1 1 123 123 HIS N N 15 119.876 0.05 . 1 . . . . . . . . . 5689 1 1377 . 1 1 123 123 HIS H H 1 8.495 0.01 . 1 . . . . . . . . . 5689 1 1378 . 1 1 123 123 HIS CA C 13 60.456 0.05 . 1 . . . . . . . . . 5689 1 1379 . 1 1 123 123 HIS HA H 1 4.234 0.01 . 1 . . . . . . . . . 5689 1 1380 . 1 1 123 123 HIS CB C 13 28.539 0.05 . 1 . . . . . . . . . 5689 1 1381 . 1 1 123 123 HIS HB2 H 1 3.204 0.01 . 2 . . . . . . . . . 5689 1 1382 . 1 1 123 123 HIS HB3 H 1 3.296 0.01 . 2 . . . . . . . . . 5689 1 1383 . 1 1 123 123 HIS HD2 H 1 7.049 0.01 . 1 . . . . . . . . . 5689 1 1384 . 1 1 123 123 HIS HE1 H 1 7.402 0.01 . 1 . . . . . . . . . 5689 1 1385 . 1 1 123 123 HIS HD1 H 1 10.425 0.01 . 1 . . . . . . . . . 5689 1 1386 . 1 1 123 123 HIS C C 13 179.263 0.05 . 1 . . . . . . . . . 5689 1 1387 . 1 1 124 124 LYS N N 15 121.528 0.05 . 1 . . . . . . . . . 5689 1 1388 . 1 1 124 124 LYS H H 1 7.882 0.01 . 1 . . . . . . . . . 5689 1 1389 . 1 1 124 124 LYS CA C 13 59.486 0.05 . 1 . . . . . . . . . 5689 1 1390 . 1 1 124 124 LYS HA H 1 3.968 0.01 . 1 . . . . . . . . . 5689 1 1391 . 1 1 124 124 LYS CB C 13 32.355 0.05 . 1 . . . . . . . . . 5689 1 1392 . 1 1 124 124 LYS HB2 H 1 1.940 0.01 . 1 . . . . . . . . . 5689 1 1393 . 1 1 124 124 LYS HB3 H 1 1.940 0.01 . 1 . . . . . . . . . 5689 1 1394 . 1 1 124 124 LYS CG C 13 25.079 0.05 . 1 . . . . . . . . . 5689 1 1395 . 1 1 124 124 LYS HG2 H 1 1.242 0.01 . 1 . . . . . . . . . 5689 1 1396 . 1 1 124 124 LYS HG3 H 1 1.242 0.01 . 1 . . . . . . . . . 5689 1 1397 . 1 1 124 124 LYS CD C 13 29.587 0.05 . 1 . . . . . . . . . 5689 1 1398 . 1 1 124 124 LYS HD2 H 1 1.631 0.01 . 1 . . . . . . . . . 5689 1 1399 . 1 1 124 124 LYS HD3 H 1 1.631 0.01 . 1 . . . . . . . . . 5689 1 1400 . 1 1 124 124 LYS CE C 13 41.966 0.05 . 1 . . . . . . . . . 5689 1 1401 . 1 1 124 124 LYS HE2 H 1 3.264 0.01 . 1 . . . . . . . . . 5689 1 1402 . 1 1 124 124 LYS HE3 H 1 3.264 0.01 . 1 . . . . . . . . . 5689 1 1403 . 1 1 124 124 LYS C C 13 178.185 0.05 . 1 . . . . . . . . . 5689 1 1404 . 1 1 125 125 LEU N N 15 117.734 0.05 . 1 . . . . . . . . . 5689 1 1405 . 1 1 125 125 LEU H H 1 7.259 0.01 . 1 . . . . . . . . . 5689 1 1406 . 1 1 125 125 LEU CA C 13 55.103 0.05 . 1 . . . . . . . . . 5689 1 1407 . 1 1 125 125 LEU HA H 1 3.795 0.01 . 1 . . . . . . . . . 5689 1 1408 . 1 1 125 125 LEU CB C 13 41.514 0.05 . 1 . . . . . . . . . 5689 1 1409 . 1 1 125 125 LEU HB2 H 1 1.935 0.01 . 1 . . . . . . . . . 5689 1 1410 . 1 1 125 125 LEU HB3 H 1 1.935 0.01 . 1 . . . . . . . . . 5689 1 1411 . 1 1 125 125 LEU CG C 13 24.586 0.05 . 1 . . . . . . . . . 5689 1 1412 . 1 1 125 125 LEU HG H 1 1.259 0.01 . 1 . . . . . . . . . 5689 1 1413 . 1 1 125 125 LEU CD1 C 13 21.952 0.05 . 1 . . . . . . . . . 5689 1 1414 . 1 1 125 125 LEU HD11 H 1 0.838 0.01 . 1 . . . . . . . . . 5689 1 1415 . 1 1 125 125 LEU HD12 H 1 0.838 0.01 . 1 . . . . . . . . . 5689 1 1416 . 1 1 125 125 LEU HD13 H 1 0.838 0.01 . 1 . . . . . . . . . 5689 1 1417 . 1 1 125 125 LEU CD2 C 13 21.952 0.05 . 1 . . . . . . . . . 5689 1 1418 . 1 1 125 125 LEU HD21 H 1 0.838 0.01 . 1 . . . . . . . . . 5689 1 1419 . 1 1 125 125 LEU HD22 H 1 0.838 0.01 . 1 . . . . . . . . . 5689 1 1420 . 1 1 125 125 LEU HD23 H 1 0.838 0.01 . 1 . . . . . . . . . 5689 1 1421 . 1 1 125 125 LEU C C 13 176.060 0.05 . 1 . . . . . . . . . 5689 1 1422 . 1 1 126 126 ASN N N 15 112.832 0.05 . 1 . . . . . . . . . 5689 1 1423 . 1 1 126 126 ASN H H 1 7.842 0.01 . 1 . . . . . . . . . 5689 1 1424 . 1 1 126 126 ASN CA C 13 54.134 0.05 . 1 . . . . . . . . . 5689 1 1425 . 1 1 126 126 ASN HA H 1 4.484 0.01 . 1 . . . . . . . . . 5689 1 1426 . 1 1 126 126 ASN CB C 13 37.040 0.05 . 1 . . . . . . . . . 5689 1 1427 . 1 1 126 126 ASN HB2 H 1 3.271 0.01 . 2 . . . . . . . . . 5689 1 1428 . 1 1 126 126 ASN HB3 H 1 2.929 0.01 . 2 . . . . . . . . . 5689 1 1429 . 1 1 126 126 ASN CG C 13 178.152 0.05 . 1 . . . . . . . . . 5689 1 1430 . 1 1 126 126 ASN ND2 N 15 111.864 0.05 . 1 . . . . . . . . . 5689 1 1431 . 1 1 126 126 ASN HD21 H 1 7.429 0.01 . 2 . . . . . . . . . 5689 1 1432 . 1 1 126 126 ASN HD22 H 1 6.786 0.01 . 2 . . . . . . . . . 5689 1 1433 . 1 1 126 126 ASN C C 13 175.832 0.05 . 1 . . . . . . . . . 5689 1 1434 . 1 1 127 127 TRP N N 15 117.588 0.05 . 1 . . . . . . . . . 5689 1 1435 . 1 1 127 127 TRP H H 1 7.519 0.01 . 1 . . . . . . . . . 5689 1 1436 . 1 1 127 127 TRP CA C 13 56.566 0.05 . 1 . . . . . . . . . 5689 1 1437 . 1 1 127 127 TRP HA H 1 4.386 0.01 . 1 . . . . . . . . . 5689 1 1438 . 1 1 127 127 TRP CB C 13 30.295 0.05 . 1 . . . . . . . . . 5689 1 1439 . 1 1 127 127 TRP HB2 H 1 2.853 0.01 . 2 . . . . . . . . . 5689 1 1440 . 1 1 127 127 TRP HB3 H 1 3.360 0.01 . 2 . . . . . . . . . 5689 1 1441 . 1 1 127 127 TRP HD1 H 1 7.491 0.01 . 1 . . . . . . . . . 5689 1 1442 . 1 1 127 127 TRP NE1 N 15 126.352 0.05 . 1 . . . . . . . . . 5689 1 1443 . 1 1 127 127 TRP HE1 H 1 9.831 0.01 . 1 . . . . . . . . . 5689 1 1444 . 1 1 127 127 TRP HE3 H 1 7.283 0.01 . 1 . . . . . . . . . 5689 1 1445 . 1 1 127 127 TRP HZ2 H 1 6.951 0.01 . 1 . . . . . . . . . 5689 1 1446 . 1 1 127 127 TRP HH2 H 1 6.784 0.01 . 1 . . . . . . . . . 5689 1 1447 . 1 1 127 127 TRP C C 13 175.363 0.05 . 1 . . . . . . . . . 5689 1 1448 . 1 1 128 128 VAL N N 15 124.389 0.05 . 1 . . . . . . . . . 5689 1 1449 . 1 1 128 128 VAL H H 1 7.713 0.01 . 1 . . . . . . . . . 5689 1 1450 . 1 1 128 128 VAL CA C 13 63.124 0.05 . 1 . . . . . . . . . 5689 1 1451 . 1 1 128 128 VAL HA H 1 4.422 0.01 . 1 . . . . . . . . . 5689 1 1452 . 1 1 128 128 VAL CB C 13 33.387 0.05 . 1 . . . . . . . . . 5689 1 1453 . 1 1 128 128 VAL HB H 1 2.121 0.01 . 1 . . . . . . . . . 5689 1 1454 . 1 1 128 128 VAL HG21 H 1 0.704 0.01 . 1 . . . . . . . . . 5689 1 1455 . 1 1 128 128 VAL HG22 H 1 0.704 0.01 . 1 . . . . . . . . . 5689 1 1456 . 1 1 128 128 VAL HG23 H 1 0.704 0.01 . 1 . . . . . . . . . 5689 1 1457 . 1 1 128 128 VAL HG11 H 1 0.704 0.01 . 1 . . . . . . . . . 5689 1 1458 . 1 1 128 128 VAL HG12 H 1 0.704 0.01 . 1 . . . . . . . . . 5689 1 1459 . 1 1 128 128 VAL HG13 H 1 0.704 0.01 . 1 . . . . . . . . . 5689 1 1460 . 1 1 128 128 VAL C C 13 176.669 0.05 . 1 . . . . . . . . . 5689 1 1461 . 1 1 129 129 PRO CA C 13 62.164 0.05 . 1 . . . . . . . . . 5689 1 1462 . 1 1 129 129 PRO HA H 1 4.214 0.01 . 1 . . . . . . . . . 5689 1 1463 . 1 1 129 129 PRO CB C 13 32.181 0.05 . 1 . . . . . . . . . 5689 1 1464 . 1 1 129 129 PRO HB2 H 1 2.229 0.01 . 1 . . . . . . . . . 5689 1 1465 . 1 1 129 129 PRO HB3 H 1 2.229 0.01 . 1 . . . . . . . . . 5689 1 1466 . 1 1 129 129 PRO CG C 13 26.334 0.05 . 1 . . . . . . . . . 5689 1 1467 . 1 1 129 129 PRO HG2 H 1 1.846 0.01 . 1 . . . . . . . . . 5689 1 1468 . 1 1 129 129 PRO HG3 H 1 1.846 0.01 . 1 . . . . . . . . . 5689 1 1469 . 1 1 129 129 PRO CD C 13 49.421 0.05 . 1 . . . . . . . . . 5689 1 1470 . 1 1 129 129 PRO HD2 H 1 3.001 0.01 . 1 . . . . . . . . . 5689 1 1471 . 1 1 129 129 PRO HD3 H 1 3.001 0.01 . 1 . . . . . . . . . 5689 1 1472 . 1 1 129 129 PRO C C 13 175.043 0.05 . 1 . . . . . . . . . 5689 1 1473 . 1 1 130 130 ASN N N 15 119.070 0.05 . 1 . . . . . . . . . 5689 1 1474 . 1 1 130 130 ASN H H 1 8.298 0.01 . 1 . . . . . . . . . 5689 1 1475 . 1 1 130 130 ASN CA C 13 52.828 0.05 . 1 . . . . . . . . . 5689 1 1476 . 1 1 130 130 ASN HA H 1 4.615 0.01 . 1 . . . . . . . . . 5689 1 1477 . 1 1 130 130 ASN CB C 13 38.540 0.05 . 1 . . . . . . . . . 5689 1 1478 . 1 1 130 130 ASN HB2 H 1 2.728 0.01 . 2 . . . . . . . . . 5689 1 1479 . 1 1 130 130 ASN HB3 H 1 2.805 0.01 . 2 . . . . . . . . . 5689 1 1480 . 1 1 130 130 ASN CG C 13 176.842 0.05 . 1 . . . . . . . . . 5689 1 1481 . 1 1 130 130 ASN ND2 N 15 112.006 0.05 . 1 . . . . . . . . . 5689 1 1482 . 1 1 130 130 ASN HD21 H 1 7.549 0.01 . 2 . . . . . . . . . 5689 1 1483 . 1 1 130 130 ASN HD22 H 1 6.890 0.01 . 2 . . . . . . . . . 5689 1 1484 . 1 1 130 130 ASN C C 13 175.350 0.05 . 1 . . . . . . . . . 5689 1 1485 . 1 1 131 131 MET N N 15 121.486 0.05 . 1 . . . . . . . . . 5689 1 1486 . 1 1 131 131 MET H H 1 8.364 0.01 . 1 . . . . . . . . . 5689 1 1487 . 1 1 131 131 MET CA C 13 54.978 0.05 . 1 . . . . . . . . . 5689 1 1488 . 1 1 131 131 MET HA H 1 4.500 0.01 . 1 . . . . . . . . . 5689 1 1489 . 1 1 131 131 MET CB C 13 32.158 0.05 . 1 . . . . . . . . . 5689 1 1490 . 1 1 131 131 MET HB2 H 1 1.775 0.01 . 2 . . . . . . . . . 5689 1 1491 . 1 1 131 131 MET HB3 H 1 2.085 0.01 . 2 . . . . . . . . . 5689 1 1492 . 1 1 131 131 MET CG C 13 32.158 0.05 . 1 . . . . . . . . . 5689 1 1493 . 1 1 131 131 MET HG2 H 1 2.208 0.01 . 1 . . . . . . . . . 5689 1 1494 . 1 1 131 131 MET HG3 H 1 2.208 0.01 . 1 . . . . . . . . . 5689 1 1495 . 1 1 131 131 MET CE C 13 18.913 0.05 . 1 . . . . . . . . . 5689 1 1496 . 1 1 131 131 MET HE1 H 1 1.581 0.01 . 1 . . . . . . . . . 5689 1 1497 . 1 1 131 131 MET HE2 H 1 1.581 0.01 . 1 . . . . . . . . . 5689 1 1498 . 1 1 131 131 MET HE3 H 1 1.581 0.01 . 1 . . . . . . . . . 5689 1 1499 . 1 1 131 131 MET C C 13 176.036 0.05 . 1 . . . . . . . . . 5689 1 1500 . 1 1 132 132 ASP N N 15 120.612 0.05 . 1 . . . . . . . . . 5689 1 1501 . 1 1 132 132 ASP H H 1 8.287 0.01 . 1 . . . . . . . . . 5689 1 1502 . 1 1 132 132 ASP CA C 13 54.622 0.05 . 1 . . . . . . . . . 5689 1 1503 . 1 1 132 132 ASP HA H 1 4.560 0.01 . 1 . . . . . . . . . 5689 1 1504 . 1 1 132 132 ASP CB C 13 41.109 0.05 . 1 . . . . . . . . . 5689 1 1505 . 1 1 132 132 ASP HB2 H 1 2.582 0.01 . 2 . . . . . . . . . 5689 1 1506 . 1 1 132 132 ASP HB3 H 1 2.704 0.01 . 2 . . . . . . . . . 5689 1 1507 . 1 1 132 132 ASP C C 13 175.837 0.05 . 1 . . . . . . . . . 5689 1 1508 . 1 1 133 133 LEU N N 15 121.770 0.05 . 1 . . . . . . . . . 5689 1 1509 . 1 1 133 133 LEU H H 1 7.945 0.01 . 1 . . . . . . . . . 5689 1 1510 . 1 1 133 133 LEU CA C 13 55.165 0.05 . 1 . . . . . . . . . 5689 1 1511 . 1 1 133 133 LEU HA H 1 4.332 0.01 . 1 . . . . . . . . . 5689 1 1512 . 1 1 133 133 LEU CB C 13 42.588 0.05 . 1 . . . . . . . . . 5689 1 1513 . 1 1 133 133 LEU HB2 H 1 1.658 0.01 . 1 . . . . . . . . . 5689 1 1514 . 1 1 133 133 LEU HB3 H 1 1.658 0.01 . 1 . . . . . . . . . 5689 1 1515 . 1 1 133 133 LEU CG C 13 27.086 0.05 . 1 . . . . . . . . . 5689 1 1516 . 1 1 133 133 LEU HG H 1 1.598 0.01 . 1 . . . . . . . . . 5689 1 1517 . 1 1 133 133 LEU CD1 C 13 24.448 0.05 . 1 . . . . . . . . . 5689 1 1518 . 1 1 133 133 LEU HD11 H 1 0.885 0.01 . 1 . . . . . . . . . 5689 1 1519 . 1 1 133 133 LEU HD12 H 1 0.885 0.01 . 1 . . . . . . . . . 5689 1 1520 . 1 1 133 133 LEU HD13 H 1 0.885 0.01 . 1 . . . . . . . . . 5689 1 1521 . 1 1 133 133 LEU CD2 C 13 24.448 0.05 . 1 . . . . . . . . . 5689 1 1522 . 1 1 133 133 LEU HD21 H 1 0.885 0.01 . 1 . . . . . . . . . 5689 1 1523 . 1 1 133 133 LEU HD22 H 1 0.885 0.01 . 1 . . . . . . . . . 5689 1 1524 . 1 1 133 133 LEU HD23 H 1 0.885 0.01 . 1 . . . . . . . . . 5689 1 1525 . 1 1 133 133 LEU C C 13 176.810 0.05 . 1 . . . . . . . . . 5689 1 1526 . 1 1 134 134 VAL N N 15 122.473 0.05 . 1 . . . . . . . . . 5689 1 1527 . 1 1 134 134 VAL H H 1 8.122 0.01 . 1 . . . . . . . . . 5689 1 1528 . 1 1 134 134 VAL CA C 13 62.243 0.05 . 1 . . . . . . . . . 5689 1 1529 . 1 1 134 134 VAL HA H 1 4.081 0.01 . 1 . . . . . . . . . 5689 1 1530 . 1 1 134 134 VAL CB C 13 32.540 0.05 . 1 . . . . . . . . . 5689 1 1531 . 1 1 134 134 VAL HB H 1 2.141 0.01 . 1 . . . . . . . . . 5689 1 1532 . 1 1 134 134 VAL CG2 C 13 21.061 0.05 . 1 . . . . . . . . . 5689 1 1533 . 1 1 134 134 VAL HG21 H 1 0.927 0.01 . 1 . . . . . . . . . 5689 1 1534 . 1 1 134 134 VAL HG22 H 1 0.927 0.01 . 1 . . . . . . . . . 5689 1 1535 . 1 1 134 134 VAL HG23 H 1 0.927 0.01 . 1 . . . . . . . . . 5689 1 1536 . 1 1 134 134 VAL CG1 C 13 21.061 0.05 . 1 . . . . . . . . . 5689 1 1537 . 1 1 134 134 VAL HG11 H 1 0.927 0.01 . 1 . . . . . . . . . 5689 1 1538 . 1 1 134 134 VAL HG12 H 1 0.927 0.01 . 1 . . . . . . . . . 5689 1 1539 . 1 1 134 134 VAL HG13 H 1 0.927 0.01 . 1 . . . . . . . . . 5689 1 1540 . 1 1 134 134 VAL C C 13 175.867 0.05 . 1 . . . . . . . . . 5689 1 1541 . 1 1 135 135 ILE N N 15 125.140 0.05 . 1 . . . . . . . . . 5689 1 1542 . 1 1 135 135 ILE H H 1 8.203 0.01 . 1 . . . . . . . . . 5689 1 1543 . 1 1 135 135 ILE CA C 13 61.097 0.05 . 1 . . . . . . . . . 5689 1 1544 . 1 1 135 135 ILE HA H 1 4.156 0.01 . 1 . . . . . . . . . 5689 1 1545 . 1 1 135 135 ILE CB C 13 38.674 0.05 . 1 . . . . . . . . . 5689 1 1546 . 1 1 135 135 ILE HB H 1 1.852 0.01 . 1 . . . . . . . . . 5689 1 1547 . 1 1 135 135 ILE CG1 C 13 27.303 0.05 . 1 . . . . . . . . . 5689 1 1548 . 1 1 135 135 ILE HG12 H 1 1.194 0.01 . 2 . . . . . . . . . 5689 1 1549 . 1 1 135 135 ILE HG13 H 1 1.864 0.01 . 2 . . . . . . . . . 5689 1 1550 . 1 1 135 135 ILE CD1 C 13 12.771 0.05 . 1 . . . . . . . . . 5689 1 1551 . 1 1 135 135 ILE HD11 H 1 0.899 0.01 . 1 . . . . . . . . . 5689 1 1552 . 1 1 135 135 ILE HD12 H 1 0.899 0.01 . 1 . . . . . . . . . 5689 1 1553 . 1 1 135 135 ILE HD13 H 1 0.899 0.01 . 1 . . . . . . . . . 5689 1 1554 . 1 1 135 135 ILE CG2 C 13 17.470 0.05 . 1 . . . . . . . . . 5689 1 1555 . 1 1 135 135 ILE HG21 H 1 1.200 0.01 . 1 . . . . . . . . . 5689 1 1556 . 1 1 135 135 ILE HG22 H 1 1.200 0.01 . 1 . . . . . . . . . 5689 1 1557 . 1 1 135 135 ILE HG23 H 1 1.200 0.01 . 1 . . . . . . . . . 5689 1 1558 . 1 1 135 135 ILE C C 13 176.392 0.05 . 1 . . . . . . . . . 5689 1 1559 . 1 1 136 136 GLY N N 15 112.668 0.05 . 1 . . . . . . . . . 5689 1 1560 . 1 1 136 136 GLY H H 1 8.321 0.01 . 1 . . . . . . . . . 5689 1 1561 . 1 1 136 136 GLY CA C 13 45.057 0.05 . 1 . . . . . . . . . 5689 1 1562 . 1 1 136 136 GLY HA2 H 1 3.937 0.01 . 1 . . . . . . . . . 5689 1 1563 . 1 1 136 136 GLY HA3 H 1 3.937 0.01 . 1 . . . . . . . . . 5689 1 1564 . 1 1 136 136 GLY C C 13 173.605 0.05 . 1 . . . . . . . . . 5689 1 1565 . 1 1 137 137 GLU N N 15 120.733 0.05 . 1 . . . . . . . . . 5689 1 1566 . 1 1 137 137 GLU H H 1 8.128 0.01 . 1 . . . . . . . . . 5689 1 1567 . 1 1 137 137 GLU CA C 13 56.339 0.05 . 1 . . . . . . . . . 5689 1 1568 . 1 1 137 137 GLU HA H 1 4.294 0.01 . 1 . . . . . . . . . 5689 1 1569 . 1 1 137 137 GLU CB C 13 30.548 0.05 . 1 . . . . . . . . . 5689 1 1570 . 1 1 137 137 GLU HB2 H 1 1.891 0.01 . 1 . . . . . . . . . 5689 1 1571 . 1 1 137 137 GLU HB3 H 1 1.891 0.01 . 1 . . . . . . . . . 5689 1 1572 . 1 1 137 137 GLU CG C 13 36.233 0.05 . 1 . . . . . . . . . 5689 1 1573 . 1 1 137 137 GLU HG2 H 1 2.234 0.01 . 1 . . . . . . . . . 5689 1 1574 . 1 1 137 137 GLU HG3 H 1 2.234 0.01 . 1 . . . . . . . . . 5689 1 1575 . 1 1 137 137 GLU C C 13 176.186 0.05 . 1 . . . . . . . . . 5689 1 1576 . 1 1 138 138 VAL N N 15 121.980 0.05 . 1 . . . . . . . . . 5689 1 1577 . 1 1 138 138 VAL H H 1 8.179 0.01 . 1 . . . . . . . . . 5689 1 1578 . 1 1 138 138 VAL CA C 13 62.256 0.05 . 1 . . . . . . . . . 5689 1 1579 . 1 1 138 138 VAL HA H 1 4.073 0.01 . 1 . . . . . . . . . 5689 1 1580 . 1 1 138 138 VAL CB C 13 32.622 0.05 . 1 . . . . . . . . . 5689 1 1581 . 1 1 138 138 VAL HB H 1 2.058 0.01 . 1 . . . . . . . . . 5689 1 1582 . 1 1 138 138 VAL CG2 C 13 20.992 0.05 . 1 . . . . . . . . . 5689 1 1583 . 1 1 138 138 VAL HG21 H 1 0.953 0.01 . 1 . . . . . . . . . 5689 1 1584 . 1 1 138 138 VAL HG22 H 1 0.953 0.01 . 1 . . . . . . . . . 5689 1 1585 . 1 1 138 138 VAL HG23 H 1 0.953 0.01 . 1 . . . . . . . . . 5689 1 1586 . 1 1 138 138 VAL CG1 C 13 20.992 0.05 . 1 . . . . . . . . . 5689 1 1587 . 1 1 138 138 VAL HG11 H 1 0.953 0.01 . 1 . . . . . . . . . 5689 1 1588 . 1 1 138 138 VAL HG12 H 1 0.953 0.01 . 1 . . . . . . . . . 5689 1 1589 . 1 1 138 138 VAL HG13 H 1 0.953 0.01 . 1 . . . . . . . . . 5689 1 1590 . 1 1 138 138 VAL C C 13 175.821 0.05 . 1 . . . . . . . . . 5689 1 1591 . 1 1 139 139 LEU N N 15 126.804 0.05 . 1 . . . . . . . . . 5689 1 1592 . 1 1 139 139 LEU H H 1 8.290 0.01 . 1 . . . . . . . . . 5689 1 1593 . 1 1 139 139 LEU CA C 13 54.755 0.05 . 1 . . . . . . . . . 5689 1 1594 . 1 1 139 139 LEU HA H 1 4.377 0.01 . 1 . . . . . . . . . 5689 1 1595 . 1 1 139 139 LEU CB C 13 42.412 0.05 . 1 . . . . . . . . . 5689 1 1596 . 1 1 139 139 LEU HB2 H 1 1.674 0.01 . 1 . . . . . . . . . 5689 1 1597 . 1 1 139 139 LEU HB3 H 1 1.674 0.01 . 1 . . . . . . . . . 5689 1 1598 . 1 1 139 139 LEU CG C 13 27.052 0.05 . 1 . . . . . . . . . 5689 1 1599 . 1 1 139 139 LEU HG H 1 1.635 0.01 . 1 . . . . . . . . . 5689 1 1600 . 1 1 139 139 LEU CD1 C 13 24.694 0.05 . 1 . . . . . . . . . 5689 1 1601 . 1 1 139 139 LEU HD11 H 1 0.951 0.01 . 1 . . . . . . . . . 5689 1 1602 . 1 1 139 139 LEU HD12 H 1 0.951 0.01 . 1 . . . . . . . . . 5689 1 1603 . 1 1 139 139 LEU HD13 H 1 0.951 0.01 . 1 . . . . . . . . . 5689 1 1604 . 1 1 139 139 LEU CD2 C 13 24.694 0.05 . 1 . . . . . . . . . 5689 1 1605 . 1 1 139 139 LEU HD21 H 1 0.951 0.01 . 1 . . . . . . . . . 5689 1 1606 . 1 1 139 139 LEU HD22 H 1 0.951 0.01 . 1 . . . . . . . . . 5689 1 1607 . 1 1 139 139 LEU HD23 H 1 0.951 0.01 . 1 . . . . . . . . . 5689 1 1608 . 1 1 139 139 LEU C C 13 176.523 0.05 . 1 . . . . . . . . . 5689 1 1609 . 1 1 140 140 ALA N N 15 125.233 0.05 . 1 . . . . . . . . . 5689 1 1610 . 1 1 140 140 ALA H H 1 8.171 0.01 . 1 . . . . . . . . . 5689 1 1611 . 1 1 140 140 ALA CA C 13 52.123 0.05 . 1 . . . . . . . . . 5689 1 1612 . 1 1 140 140 ALA HA H 1 4.332 0.01 . 1 . . . . . . . . . 5689 1 1613 . 1 1 140 140 ALA CB C 13 19.835 0.05 . 1 . . . . . . . . . 5689 1 1614 . 1 1 140 140 ALA HB1 H 1 1.413 0.01 . 1 . . . . . . . . . 5689 1 1615 . 1 1 140 140 ALA HB2 H 1 1.413 0.01 . 1 . . . . . . . . . 5689 1 1616 . 1 1 140 140 ALA HB3 H 1 1.413 0.01 . 1 . . . . . . . . . 5689 1 1617 . 1 1 140 140 ALA C C 13 177.162 0.05 . 1 . . . . . . . . . 5689 1 1618 . 1 1 141 141 GLU N N 15 120.934 0.05 . 1 . . . . . . . . . 5689 1 1619 . 1 1 141 141 GLU H H 1 8.280 0.01 . 1 . . . . . . . . . 5689 1 1620 . 1 1 141 141 GLU CA C 13 56.423 0.05 . 1 . . . . . . . . . 5689 1 1621 . 1 1 141 141 GLU HA H 1 4.299 0.01 . 1 . . . . . . . . . 5689 1 1622 . 1 1 141 141 GLU CB C 13 30.433 0.05 . 1 . . . . . . . . . 5689 1 1623 . 1 1 141 141 GLU HB2 H 1 1.940 0.01 . 1 . . . . . . . . . 5689 1 1624 . 1 1 141 141 GLU HB3 H 1 1.940 0.01 . 1 . . . . . . . . . 5689 1 1625 . 1 1 141 141 GLU CG C 13 36.346 0.05 . 1 . . . . . . . . . 5689 1 1626 . 1 1 141 141 GLU HG2 H 1 2.284 0.01 . 1 . . . . . . . . . 5689 1 1627 . 1 1 141 141 GLU HG3 H 1 2.284 0.01 . 1 . . . . . . . . . 5689 1 1628 . 1 1 141 141 GLU C C 13 175.427 0.05 . 1 . . . . . . . . . 5689 1 1629 . 1 1 142 142 VAL N N 15 124.761 0.05 . 1 . . . . . . . . . 5689 1 1630 . 1 1 142 142 VAL H H 1 7.650 0.01 . 1 . . . . . . . . . 5689 1 1631 . 1 1 142 142 VAL CA C 13 63.443 0.05 . 1 . . . . . . . . . 5689 1 1632 . 1 1 142 142 VAL HA H 1 4.052 0.01 . 1 . . . . . . . . . 5689 1 1633 . 1 1 142 142 VAL CB C 13 33.346 0.05 . 1 . . . . . . . . . 5689 1 1634 . 1 1 142 142 VAL C C 13 180.887 0.05 . 1 . . . . . . . . . 5689 1 stop_ save_