data_18375 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18375 _Entry.Title ; NMR solution structure of staphyloxanthin biosynthesis protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-03 _Entry.Accession_date 2012-04-03 _Entry.Last_release_date 2012-05-01 _Entry.Original_release_date 2012-05-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; CSGID target number: IDP00632 ; _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.Entry_ID 1 Yongbo Zhang . . . 18375 2 James Winsor . . . 18375 3 Wayne Anderson . . . 18375 4 Ishwar Radhakrishnan . . . 18375 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Midwest Center for Structural Genomics' 'Center for Structural Genomics of Infectious Diseases' . 18375 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID biosynthesis . 18375 NMR . 18375 staphyloxanthin . 18375 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18375 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 18375 '15N chemical shifts' 119 18375 '1H chemical shifts' 681 18375 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-01 2012-04-03 original author . 18375 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRJ 'BMRB Entry Tracking System' 18375 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18375 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of a putative S. aureus enzyme involved in the biosynthesis of staphyloxanthin' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yongbo Zhang . . . 18375 1 2 James Winsor . . . 18375 1 3 Wayne Anderson . . . 18375 1 4 Ishwar Radhakrishnan . . . 18375 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18375 _Assembly.ID 1 _Assembly.Name staphyloxanthin_protein _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'staphyloxanthin biosynthesis protein' 1 $staphyloxanthin_protein A . yes native no no . . . 18375 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_staphyloxanthin_protein _Entity.Sf_category entity _Entity.Sf_framecode staphyloxanthin_protein _Entity.Entry_ID 18375 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSISHSGNLYTAGQCTWYV YDKVGGEIGSTWGNANNWAA AAQGAGFTVNHTPSKGAILQ SSEGPFGHVAYVESVNSDGS VTISEMNYSGGPFSVSSRTI SASEAGNYNYIHI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11722.638 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1 no PDB 2LRJ . "Nmr Solution Structure Of Staphyloxanthin Biosynthesis Protein" . . . . . 100.00 113 100.00 100.00 4.42e-73 . . . . 18375 1 2 no DBJ BAB43396 . "SA2097 [Staphylococcus aureus subsp. aureus N315]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 3 no DBJ BAB96087 . "ssaA [Staphylococcus aureus subsp. aureus MW2]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 4 no DBJ BAD16609 . "similar to secretory antigen precursor SsaA [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 5 no DBJ BAF68475 . "secretory antigen precursor SsaA [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 6 no DBJ BAF79171 . "hypothetical protein SAHV_2288 [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 7 no EMBL CAG41369 . "putative exported protein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 99.12 163 100.00 100.00 2.01e-73 . . . . 18375 1 8 no EMBL CAG44005 . "putative exported protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 9 no EMBL CAI81865 . "exported secretory antigen precursor [Staphylococcus aureus RF122]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 10 no EMBL CAQ50734 . "N-acetylmuramoyl-L-alanine amidase Sle1 [Staphylococcus aureus subsp. aureus ST398]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 11 no EMBL CBI50299 . "putative exported protein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 99.12 166 100.00 100.00 1.86e-73 . . . . 18375 1 12 no GB AAW38515 . "staphyloxanthin biosynthesis protein, putative [Staphylococcus aureus subsp. aureus COL]" . . . . . 99.12 166 100.00 100.00 1.84e-73 . . . . 18375 1 13 no GB ABD20377 . "secretory antigen precursor SsaA [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 14 no GB ABD31588 . "secretory antigen precursor SsaA, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 15 no GB ABQ50107 . "CHAP domain containing protein [Staphylococcus aureus subsp. aureus JH9]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 16 no GB ABR53195 . "CHAP domain containing protein [Staphylococcus aureus subsp. aureus JH1]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 17 no PIR C90029 . "hypothetical protein SA2097 [imported] - Staphylococcus aureus (strain N315)" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 18 no REF WP_000733941 . "hypothetical protein [Staphylococcus aureus]" . . . . . 99.12 166 100.00 100.00 2.26e-73 . . . . 18375 1 19 no REF WP_000737696 . "MULTISPECIES: hypothetical protein [Staphylococcus]" . . . . . 99.12 168 97.32 99.11 1.97e-71 . . . . 18375 1 20 no REF WP_000737697 . "hypothetical protein [Staphylococcus aureus]" . . . . . 99.12 166 100.00 100.00 1.96e-73 . . . . 18375 1 21 no REF WP_000737698 . "hypothetical protein [Staphylococcus aureus]" . . . . . 99.12 163 100.00 100.00 2.94e-73 . . . . 18375 1 22 no REF WP_000737699 . "hypothetical protein [Staphylococcus aureus]" . . . . . 99.12 166 100.00 100.00 2.17e-73 . . . . 18375 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 18375 1 2 2 SER . 18375 1 3 3 SER . 18375 1 4 4 ILE . 18375 1 5 5 SER . 18375 1 6 6 HIS . 18375 1 7 7 SER . 18375 1 8 8 GLY . 18375 1 9 9 ASN . 18375 1 10 10 LEU . 18375 1 11 11 TYR . 18375 1 12 12 THR . 18375 1 13 13 ALA . 18375 1 14 14 GLY . 18375 1 15 15 GLN . 18375 1 16 16 CYS . 18375 1 17 17 THR . 18375 1 18 18 TRP . 18375 1 19 19 TYR . 18375 1 20 20 VAL . 18375 1 21 21 TYR . 18375 1 22 22 ASP . 18375 1 23 23 LYS . 18375 1 24 24 VAL . 18375 1 25 25 GLY . 18375 1 26 26 GLY . 18375 1 27 27 GLU . 18375 1 28 28 ILE . 18375 1 29 29 GLY . 18375 1 30 30 SER . 18375 1 31 31 THR . 18375 1 32 32 TRP . 18375 1 33 33 GLY . 18375 1 34 34 ASN . 18375 1 35 35 ALA . 18375 1 36 36 ASN . 18375 1 37 37 ASN . 18375 1 38 38 TRP . 18375 1 39 39 ALA . 18375 1 40 40 ALA . 18375 1 41 41 ALA . 18375 1 42 42 ALA . 18375 1 43 43 GLN . 18375 1 44 44 GLY . 18375 1 45 45 ALA . 18375 1 46 46 GLY . 18375 1 47 47 PHE . 18375 1 48 48 THR . 18375 1 49 49 VAL . 18375 1 50 50 ASN . 18375 1 51 51 HIS . 18375 1 52 52 THR . 18375 1 53 53 PRO . 18375 1 54 54 SER . 18375 1 55 55 LYS . 18375 1 56 56 GLY . 18375 1 57 57 ALA . 18375 1 58 58 ILE . 18375 1 59 59 LEU . 18375 1 60 60 GLN . 18375 1 61 61 SER . 18375 1 62 62 SER . 18375 1 63 63 GLU . 18375 1 64 64 GLY . 18375 1 65 65 PRO . 18375 1 66 66 PHE . 18375 1 67 67 GLY . 18375 1 68 68 HIS . 18375 1 69 69 VAL . 18375 1 70 70 ALA . 18375 1 71 71 TYR . 18375 1 72 72 VAL . 18375 1 73 73 GLU . 18375 1 74 74 SER . 18375 1 75 75 VAL . 18375 1 76 76 ASN . 18375 1 77 77 SER . 18375 1 78 78 ASP . 18375 1 79 79 GLY . 18375 1 80 80 SER . 18375 1 81 81 VAL . 18375 1 82 82 THR . 18375 1 83 83 ILE . 18375 1 84 84 SER . 18375 1 85 85 GLU . 18375 1 86 86 MET . 18375 1 87 87 ASN . 18375 1 88 88 TYR . 18375 1 89 89 SER . 18375 1 90 90 GLY . 18375 1 91 91 GLY . 18375 1 92 92 PRO . 18375 1 93 93 PHE . 18375 1 94 94 SER . 18375 1 95 95 VAL . 18375 1 96 96 SER . 18375 1 97 97 SER . 18375 1 98 98 ARG . 18375 1 99 99 THR . 18375 1 100 100 ILE . 18375 1 101 101 SER . 18375 1 102 102 ALA . 18375 1 103 103 SER . 18375 1 104 104 GLU . 18375 1 105 105 ALA . 18375 1 106 106 GLY . 18375 1 107 107 ASN . 18375 1 108 108 TYR . 18375 1 109 109 ASN . 18375 1 110 110 TYR . 18375 1 111 111 ILE . 18375 1 112 112 HIS . 18375 1 113 113 ILE . 18375 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18375 1 . SER 2 2 18375 1 . SER 3 3 18375 1 . ILE 4 4 18375 1 . SER 5 5 18375 1 . HIS 6 6 18375 1 . SER 7 7 18375 1 . GLY 8 8 18375 1 . ASN 9 9 18375 1 . LEU 10 10 18375 1 . TYR 11 11 18375 1 . THR 12 12 18375 1 . ALA 13 13 18375 1 . GLY 14 14 18375 1 . GLN 15 15 18375 1 . CYS 16 16 18375 1 . THR 17 17 18375 1 . TRP 18 18 18375 1 . TYR 19 19 18375 1 . VAL 20 20 18375 1 . TYR 21 21 18375 1 . ASP 22 22 18375 1 . LYS 23 23 18375 1 . VAL 24 24 18375 1 . GLY 25 25 18375 1 . GLY 26 26 18375 1 . GLU 27 27 18375 1 . ILE 28 28 18375 1 . GLY 29 29 18375 1 . SER 30 30 18375 1 . THR 31 31 18375 1 . TRP 32 32 18375 1 . GLY 33 33 18375 1 . ASN 34 34 18375 1 . ALA 35 35 18375 1 . ASN 36 36 18375 1 . ASN 37 37 18375 1 . TRP 38 38 18375 1 . ALA 39 39 18375 1 . ALA 40 40 18375 1 . ALA 41 41 18375 1 . ALA 42 42 18375 1 . GLN 43 43 18375 1 . GLY 44 44 18375 1 . ALA 45 45 18375 1 . GLY 46 46 18375 1 . PHE 47 47 18375 1 . THR 48 48 18375 1 . VAL 49 49 18375 1 . ASN 50 50 18375 1 . HIS 51 51 18375 1 . THR 52 52 18375 1 . PRO 53 53 18375 1 . SER 54 54 18375 1 . LYS 55 55 18375 1 . GLY 56 56 18375 1 . ALA 57 57 18375 1 . ILE 58 58 18375 1 . LEU 59 59 18375 1 . GLN 60 60 18375 1 . SER 61 61 18375 1 . SER 62 62 18375 1 . GLU 63 63 18375 1 . GLY 64 64 18375 1 . PRO 65 65 18375 1 . PHE 66 66 18375 1 . GLY 67 67 18375 1 . HIS 68 68 18375 1 . VAL 69 69 18375 1 . ALA 70 70 18375 1 . TYR 71 71 18375 1 . VAL 72 72 18375 1 . GLU 73 73 18375 1 . SER 74 74 18375 1 . VAL 75 75 18375 1 . ASN 76 76 18375 1 . SER 77 77 18375 1 . ASP 78 78 18375 1 . GLY 79 79 18375 1 . SER 80 80 18375 1 . VAL 81 81 18375 1 . THR 82 82 18375 1 . ILE 83 83 18375 1 . SER 84 84 18375 1 . GLU 85 85 18375 1 . MET 86 86 18375 1 . ASN 87 87 18375 1 . TYR 88 88 18375 1 . SER 89 89 18375 1 . GLY 90 90 18375 1 . GLY 91 91 18375 1 . PRO 92 92 18375 1 . PHE 93 93 18375 1 . SER 94 94 18375 1 . VAL 95 95 18375 1 . SER 96 96 18375 1 . SER 97 97 18375 1 . ARG 98 98 18375 1 . THR 99 99 18375 1 . ILE 100 100 18375 1 . SER 101 101 18375 1 . ALA 102 102 18375 1 . SER 103 103 18375 1 . GLU 104 104 18375 1 . ALA 105 105 18375 1 . GLY 106 106 18375 1 . ASN 107 107 18375 1 . TYR 108 108 18375 1 . ASN 109 109 18375 1 . TYR 110 110 18375 1 . ILE 111 111 18375 1 . HIS 112 112 18375 1 . ILE 113 113 18375 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 18375 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $staphyloxanthin_protein . 1280 organism . 'Staphylococcus aureus' Firmicutes . . Bacteria . Staphylococcus aureus 'subsp. aureus COL' . . . . . . . . . . . . . . . . . . . . 18375 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 18375 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $staphyloxanthin_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 15b' . . . . . . 18375 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18375 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 18375 1 2 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 18375 1 3 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 18375 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18375 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18375 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18375 1 7 staphyloxanthin_protein 'natural abundance' . . 1 $staphyloxanthin_protein . . 0.7 . . mM . . . . 18375 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18375 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 18375 2 2 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 18375 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18375 2 4 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 18375 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18375 2 6 staphyloxanthin_protein 'natural abundance' . . 1 $staphyloxanthin_protein . . 0.7 . . mM . . . . 18375 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18375 _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 'ionic strength' 0.137 . M 18375 1 pH 6.8 0.1 pH 18375 1 pressure 1 . atm 18375 1 temperature 298 0.1 K 18375 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18375 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.137 . M 18375 2 pH 6.8 0.1 pH 18375 2 pressure 1 . atm 18375 2 temperature 298 0.1 K 18375 2 stop_ save_ ############################ # Computer software used # ############################ save_ARIA_CNS _Software.Sf_category software _Software.Sf_framecode ARIA_CNS _Software.Entry_ID 18375 _Software.ID 1 _Software.Name ARIA_CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18375 1 Goddard . . 18375 1 'Linge, O'Donoghue and Nilges' . . 18375 1 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18375 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18375 1 'data analysis' 18375 1 refinement 18375 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18375 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18375 _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 spectrometer_1 Varian INOVA . 600 . . . 18375 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 18375 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18375 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18375 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18375 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18375 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18375 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18375 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 18375 1 4 '3D C(CO)NH' . . . 18375 1 6 '3D HNCACB' . . . 18375 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.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 3 3 SER HA H 1 4.51 . . 1 . . . A 3 SER HA . 18375 1 2 . 1 1 3 3 SER HB2 H 1 3.86 . . 1 . . . A 3 SER HB2 . 18375 1 3 . 1 1 3 3 SER HB3 H 1 3.86 . . 1 . . . A 3 SER HB3 . 18375 1 4 . 1 1 3 3 SER C C 13 174.46 . . 1 . . . A 3 SER C . 18375 1 5 . 1 1 3 3 SER CA C 13 59.40 . . 1 . . . A 3 SER CA . 18375 1 6 . 1 1 3 3 SER CB C 13 64.82 . . 1 . . . A 3 SER CB . 18375 1 7 . 1 1 4 4 ILE H H 1 8.18 . . 1 . . . A 4 ILE H . 18375 1 8 . 1 1 4 4 ILE HA H 1 4.21 . . 1 . . . A 4 ILE HA . 18375 1 9 . 1 1 4 4 ILE HB H 1 1.83 . . 1 . . . A 4 ILE HB . 18375 1 10 . 1 1 4 4 ILE HG12 H 1 1.39 . . 1 . . . A 4 ILE HG12 . 18375 1 11 . 1 1 4 4 ILE HG13 H 1 1.39 . . 1 . . . A 4 ILE HG13 . 18375 1 12 . 1 1 4 4 ILE HG21 H 1 1.13 . . 1 . . . A 4 ILE HG21 . 18375 1 13 . 1 1 4 4 ILE HG22 H 1 1.13 . . 1 . . . A 4 ILE HG22 . 18375 1 14 . 1 1 4 4 ILE HG23 H 1 1.13 . . 1 . . . A 4 ILE HG23 . 18375 1 15 . 1 1 4 4 ILE HD11 H 1 0.82 . . 1 . . . A 4 ILE HD11 . 18375 1 16 . 1 1 4 4 ILE HD12 H 1 0.82 . . 1 . . . A 4 ILE HD12 . 18375 1 17 . 1 1 4 4 ILE HD13 H 1 0.82 . . 1 . . . A 4 ILE HD13 . 18375 1 18 . 1 1 4 4 ILE C C 13 176.04 . . 1 . . . A 4 ILE C . 18375 1 19 . 1 1 4 4 ILE CA C 13 62.18 . . 1 . . . A 4 ILE CA . 18375 1 20 . 1 1 4 4 ILE CB C 13 39.93 . . 1 . . . A 4 ILE CB . 18375 1 21 . 1 1 4 4 ILE CG1 C 13 28.13 . . 1 . . . A 4 ILE CG1 . 18375 1 22 . 1 1 4 4 ILE CG2 C 13 18.50 . . 1 . . . A 4 ILE CG2 . 18375 1 23 . 1 1 4 4 ILE CD1 C 13 14.06 . . 1 . . . A 4 ILE CD1 . 18375 1 24 . 1 1 4 4 ILE N N 15 121.89 . . 1 . . . A 4 ILE N . 18375 1 25 . 1 1 5 5 SER H H 1 8.27 . . 1 . . . A 5 SER H . 18375 1 26 . 1 1 5 5 SER C C 13 174.29 . . 1 . . . A 5 SER C . 18375 1 27 . 1 1 5 5 SER CA C 13 59.14 . . 1 . . . A 5 SER CA . 18375 1 28 . 1 1 5 5 SER CB C 13 64.93 . . 1 . . . A 5 SER CB . 18375 1 29 . 1 1 5 5 SER N N 15 119.23 . . 1 . . . A 5 SER N . 18375 1 30 . 1 1 6 6 HIS HA H 1 4.65 . . 1 . . . A 6 HIS HA . 18375 1 31 . 1 1 6 6 HIS HB2 H 1 3.17 . . 1 . . . A 6 HIS HB2 . 18375 1 32 . 1 1 6 6 HIS HB3 H 1 3.17 . . 1 . . . A 6 HIS HB3 . 18375 1 33 . 1 1 6 6 HIS HD2 H 1 7.10 . . 1 . . . A 6 HIS HD2 . 18375 1 34 . 1 1 6 6 HIS HE1 H 1 8.01 . . 1 . . . A 6 HIS HE1 . 18375 1 35 . 1 1 6 6 HIS CA C 13 57.24 . . 1 . . . A 6 HIS CA . 18375 1 36 . 1 1 6 6 HIS CB C 13 31.15 . . 1 . . . A 6 HIS CB . 18375 1 37 . 1 1 6 6 HIS CD2 C 13 121.08 . . 1 . . . A 6 HIS CD2 . 18375 1 38 . 1 1 6 6 HIS CE1 C 13 138.83 . . 1 . . . A 6 HIS CE1 . 18375 1 39 . 1 1 7 7 SER H H 1 8.36 . . 1 . . . A 7 SER H . 18375 1 40 . 1 1 7 7 SER HA H 1 4.43 . . 1 . . . A 7 SER HA . 18375 1 41 . 1 1 7 7 SER HB2 H 1 3.85 . . 1 . . . A 7 SER HB2 . 18375 1 42 . 1 1 7 7 SER HB3 H 1 3.85 . . 1 . . . A 7 SER HB3 . 18375 1 43 . 1 1 7 7 SER C C 13 174.89 . . 1 . . . A 7 SER C . 18375 1 44 . 1 1 7 7 SER CA C 13 59.75 . . 1 . . . A 7 SER CA . 18375 1 45 . 1 1 7 7 SER CB C 13 64.89 . . 1 . . . A 7 SER CB . 18375 1 46 . 1 1 7 7 SER N N 15 117.26 . . 1 . . . A 7 SER N . 18375 1 47 . 1 1 8 8 GLY H H 1 8.50 . . 1 . . . A 8 GLY H . 18375 1 48 . 1 1 8 8 GLY HA2 H 1 3.91 . . 2 . . . A 8 GLY HA2 . 18375 1 49 . 1 1 8 8 GLY HA3 H 1 3.99 . . 2 . . . A 8 GLY HA3 . 18375 1 50 . 1 1 8 8 GLY C C 13 173.34 . . 1 . . . A 8 GLY C . 18375 1 51 . 1 1 8 8 GLY CA C 13 45.92 . . 1 . . . A 8 GLY CA . 18375 1 52 . 1 1 8 8 GLY N N 15 110.14 . . 1 . . . A 8 GLY N . 18375 1 53 . 1 1 9 9 ASN H H 1 8.28 . . 1 . . . A 9 ASN H . 18375 1 54 . 1 1 9 9 ASN HA H 1 3.43 . . 1 . . . A 9 ASN HA . 18375 1 55 . 1 1 9 9 ASN HB2 H 1 3.20 . . 2 . . . A 9 ASN HB2 . 18375 1 56 . 1 1 9 9 ASN HB3 H 1 2.46 . . 2 . . . A 9 ASN HB3 . 18375 1 57 . 1 1 9 9 ASN HD21 H 1 6.14 . . 2 . . . A 9 ASN HD21 . 18375 1 58 . 1 1 9 9 ASN HD22 H 1 6.99 . . 2 . . . A 9 ASN HD22 . 18375 1 59 . 1 1 9 9 ASN C C 13 175.46 . . 1 . . . A 9 ASN C . 18375 1 60 . 1 1 9 9 ASN CA C 13 53.40 . . 1 . . . A 9 ASN CA . 18375 1 61 . 1 1 9 9 ASN CB C 13 38.78 . . 1 . . . A 9 ASN CB . 18375 1 62 . 1 1 9 9 ASN N N 15 118.84 . . 1 . . . A 9 ASN N . 18375 1 63 . 1 1 9 9 ASN ND2 N 15 109.49 . . 1 . . . A 9 ASN ND2 . 18375 1 64 . 1 1 10 10 LEU H H 1 6.85 . . 1 . . . A 10 LEU H . 18375 1 65 . 1 1 10 10 LEU HA H 1 4.25 . . 1 . . . A 10 LEU HA . 18375 1 66 . 1 1 10 10 LEU HB2 H 1 1.45 . . 2 . . . A 10 LEU HB2 . 18375 1 67 . 1 1 10 10 LEU HB3 H 1 1.24 . . 2 . . . A 10 LEU HB3 . 18375 1 68 . 1 1 10 10 LEU HG H 1 1.35 . . 1 . . . A 10 LEU HG . 18375 1 69 . 1 1 10 10 LEU HD11 H 1 0.65 . . 1 . . . A 10 LEU HD11 . 18375 1 70 . 1 1 10 10 LEU HD12 H 1 0.65 . . 1 . . . A 10 LEU HD12 . 18375 1 71 . 1 1 10 10 LEU HD13 H 1 0.65 . . 1 . . . A 10 LEU HD13 . 18375 1 72 . 1 1 10 10 LEU HD21 H 1 0.64 . . 1 . . . A 10 LEU HD21 . 18375 1 73 . 1 1 10 10 LEU HD22 H 1 0.64 . . 1 . . . A 10 LEU HD22 . 18375 1 74 . 1 1 10 10 LEU HD23 H 1 0.64 . . 1 . . . A 10 LEU HD23 . 18375 1 75 . 1 1 10 10 LEU C C 13 177.32 . . 1 . . . A 10 LEU C . 18375 1 76 . 1 1 10 10 LEU CA C 13 55.08 . . 1 . . . A 10 LEU CA . 18375 1 77 . 1 1 10 10 LEU CB C 13 42.11 . . 1 . . . A 10 LEU CB . 18375 1 78 . 1 1 10 10 LEU CG C 13 27.55 . . 1 . . . A 10 LEU CG . 18375 1 79 . 1 1 10 10 LEU CD1 C 13 25.95 . . 2 . . . A 10 LEU CD1 . 18375 1 80 . 1 1 10 10 LEU CD2 C 13 23.03 . . 2 . . . A 10 LEU CD2 . 18375 1 81 . 1 1 10 10 LEU N N 15 125.56 . . 1 . . . A 10 LEU N . 18375 1 82 . 1 1 11 11 TYR H H 1 7.68 . . 1 . . . A 11 TYR H . 18375 1 83 . 1 1 11 11 TYR HA H 1 4.35 . . 1 . . . A 11 TYR HA . 18375 1 84 . 1 1 11 11 TYR HB2 H 1 3.50 . . 2 . . . A 11 TYR HB2 . 18375 1 85 . 1 1 11 11 TYR HB3 H 1 2.94 . . 2 . . . A 11 TYR HB3 . 18375 1 86 . 1 1 11 11 TYR HD1 H 1 7.21 . . 1 . . . A 11 TYR HD1 . 18375 1 87 . 1 1 11 11 TYR HD2 H 1 7.21 . . 1 . . . A 11 TYR HD2 . 18375 1 88 . 1 1 11 11 TYR HE1 H 1 6.40 . . 1 . . . A 11 TYR HE1 . 18375 1 89 . 1 1 11 11 TYR HE2 H 1 6.40 . . 1 . . . A 11 TYR HE2 . 18375 1 90 . 1 1 11 11 TYR C C 13 174.80 . . 1 . . . A 11 TYR C . 18375 1 91 . 1 1 11 11 TYR CA C 13 60.20 . . 1 . . . A 11 TYR CA . 18375 1 92 . 1 1 11 11 TYR CB C 13 38.52 . . 1 . . . A 11 TYR CB . 18375 1 93 . 1 1 11 11 TYR N N 15 120.92 . . 1 . . . A 11 TYR N . 18375 1 94 . 1 1 12 12 THR H H 1 8.32 . . 1 . . . A 12 THR H . 18375 1 95 . 1 1 12 12 THR HA H 1 3.68 . . 1 . . . A 12 THR HA . 18375 1 96 . 1 1 12 12 THR HB H 1 3.66 . . 1 . . . A 12 THR HB . 18375 1 97 . 1 1 12 12 THR HG21 H 1 1.09 . . 1 . . . A 12 THR HG21 . 18375 1 98 . 1 1 12 12 THR HG22 H 1 1.09 . . 1 . . . A 12 THR HG22 . 18375 1 99 . 1 1 12 12 THR HG23 H 1 1.09 . . 1 . . . A 12 THR HG23 . 18375 1 100 . 1 1 12 12 THR C C 13 173.18 . . 1 . . . A 12 THR C . 18375 1 101 . 1 1 12 12 THR CA C 13 65.31 . . 1 . . . A 12 THR CA . 18375 1 102 . 1 1 12 12 THR CB C 13 70.08 . . 1 . . . A 12 THR CB . 18375 1 103 . 1 1 12 12 THR CG2 C 13 22.79 . . 1 . . . A 12 THR CG2 . 18375 1 104 . 1 1 12 12 THR N N 15 118.32 . . 1 . . . A 12 THR N . 18375 1 105 . 1 1 13 13 ALA H H 1 8.15 . . 1 . . . A 13 ALA H . 18375 1 106 . 1 1 13 13 ALA HA H 1 3.69 . . 1 . . . A 13 ALA HA . 18375 1 107 . 1 1 13 13 ALA HB1 H 1 0.84 . . 1 . . . A 13 ALA HB1 . 18375 1 108 . 1 1 13 13 ALA HB2 H 1 0.84 . . 1 . . . A 13 ALA HB2 . 18375 1 109 . 1 1 13 13 ALA HB3 H 1 0.84 . . 1 . . . A 13 ALA HB3 . 18375 1 110 . 1 1 13 13 ALA CA C 13 53.70 . . 1 . . . A 13 ALA CA . 18375 1 111 . 1 1 13 13 ALA N N 15 129.54 . . 1 . . . A 13 ALA N . 18375 1 112 . 1 1 14 14 GLY H H 1 4.99 . . 1 . . . A 14 GLY H . 18375 1 113 . 1 1 14 14 GLY HA2 H 1 2.24 . . 2 . . . A 14 GLY HA2 . 18375 1 114 . 1 1 14 14 GLY HA3 H 1 2.19 . . 2 . . . A 14 GLY HA3 . 18375 1 115 . 1 1 14 14 GLY C C 13 173.31 . . 1 . . . A 14 GLY C . 18375 1 116 . 1 1 14 14 GLY CA C 13 44.15 . . 1 . . . A 14 GLY CA . 18375 1 117 . 1 1 14 14 GLY N N 15 109.41 . . 1 . . . A 14 GLY N . 18375 1 118 . 1 1 15 15 GLN H H 1 7.17 . . 1 . . . A 15 GLN H . 18375 1 119 . 1 1 15 15 GLN HA H 1 4.41 . . 1 . . . A 15 GLN HA . 18375 1 120 . 1 1 15 15 GLN HB2 H 1 2.42 . . 2 . . . A 15 GLN HB2 . 18375 1 121 . 1 1 15 15 GLN HB3 H 1 2.22 . . 2 . . . A 15 GLN HB3 . 18375 1 122 . 1 1 15 15 GLN HG2 H 1 2.19 . . 2 . . . A 15 GLN HG2 . 18375 1 123 . 1 1 15 15 GLN HG3 H 1 2.04 . . 2 . . . A 15 GLN HG3 . 18375 1 124 . 1 1 15 15 GLN HE21 H 1 6.83 . . 2 . . . A 15 GLN HE21 . 18375 1 125 . 1 1 15 15 GLN HE22 H 1 7.75 . . 2 . . . A 15 GLN HE22 . 18375 1 126 . 1 1 15 15 GLN C C 13 176.31 . . 1 . . . A 15 GLN C . 18375 1 127 . 1 1 15 15 GLN CA C 13 55.57 . . 1 . . . A 15 GLN CA . 18375 1 128 . 1 1 15 15 GLN CB C 13 31.18 . . 1 . . . A 15 GLN CB . 18375 1 129 . 1 1 15 15 GLN CG C 13 35.41 . . 1 . . . A 15 GLN CG . 18375 1 130 . 1 1 15 15 GLN N N 15 115.72 . . 1 . . . A 15 GLN N . 18375 1 131 . 1 1 15 15 GLN NE2 N 15 113.57 . . 1 . . . A 15 GLN NE2 . 18375 1 132 . 1 1 16 16 CYS H H 1 9.30 . . 1 . . . A 16 CYS H . 18375 1 133 . 1 1 16 16 CYS HA H 1 4.59 . . 1 . . . A 16 CYS HA . 18375 1 134 . 1 1 16 16 CYS HB2 H 1 3.85 . . 2 . . . A 16 CYS HB2 . 18375 1 135 . 1 1 16 16 CYS HB3 H 1 3.47 . . 2 . . . A 16 CYS HB3 . 18375 1 136 . 1 1 16 16 CYS C C 13 176.73 . . 1 . . . A 16 CYS C . 18375 1 137 . 1 1 16 16 CYS CA C 13 61.05 . . 1 . . . A 16 CYS CA . 18375 1 138 . 1 1 16 16 CYS CB C 13 28.60 . . 1 . . . A 16 CYS CB . 18375 1 139 . 1 1 16 16 CYS N N 15 118.02 . . 1 . . . A 16 CYS N . 18375 1 140 . 1 1 17 17 THR H H 1 7.30 . . 1 . . . A 17 THR H . 18375 1 141 . 1 1 17 17 THR HA H 1 3.18 . . 1 . . . A 17 THR HA . 18375 1 142 . 1 1 17 17 THR HB H 1 3.81 . . 1 . . . A 17 THR HB . 18375 1 143 . 1 1 17 17 THR HG21 H 1 0.94 . . 1 . . . A 17 THR HG21 . 18375 1 144 . 1 1 17 17 THR HG22 H 1 0.94 . . 1 . . . A 17 THR HG22 . 18375 1 145 . 1 1 17 17 THR HG23 H 1 0.94 . . 1 . . . A 17 THR HG23 . 18375 1 146 . 1 1 17 17 THR C C 13 174.26 . . 1 . . . A 17 THR C . 18375 1 147 . 1 1 17 17 THR CA C 13 62.80 . . 1 . . . A 17 THR CA . 18375 1 148 . 1 1 17 17 THR CB C 13 69.00 . . 1 . . . A 17 THR CB . 18375 1 149 . 1 1 17 17 THR CG2 C 13 23.74 . . 1 . . . A 17 THR CG2 . 18375 1 150 . 1 1 17 17 THR N N 15 113.91 . . 1 . . . A 17 THR N . 18375 1 151 . 1 1 18 18 TRP H H 1 6.64 . . 1 . . . A 18 TRP H . 18375 1 152 . 1 1 18 18 TRP HA H 1 4.38 . . 1 . . . A 18 TRP HA . 18375 1 153 . 1 1 18 18 TRP HB2 H 1 3.44 . . 2 . . . A 18 TRP HB2 . 18375 1 154 . 1 1 18 18 TRP HB3 H 1 3.05 . . 2 . . . A 18 TRP HB3 . 18375 1 155 . 1 1 18 18 TRP HD1 H 1 7.35 . . 1 . . . A 18 TRP HD1 . 18375 1 156 . 1 1 18 18 TRP HE1 H 1 10.68 . . 1 . . . A 18 TRP HE1 . 18375 1 157 . 1 1 18 18 TRP HE3 H 1 7.68 . . 1 . . . A 18 TRP HE3 . 18375 1 158 . 1 1 18 18 TRP HZ2 H 1 7.71 . . 1 . . . A 18 TRP HZ2 . 18375 1 159 . 1 1 18 18 TRP HZ3 H 1 7.23 . . 1 . . . A 18 TRP HZ3 . 18375 1 160 . 1 1 18 18 TRP HH2 H 1 7.54 . . 1 . . . A 18 TRP HH2 . 18375 1 161 . 1 1 18 18 TRP C C 13 177.91 . . 1 . . . A 18 TRP C . 18375 1 162 . 1 1 18 18 TRP CA C 13 61.60 . . 1 . . . A 18 TRP CA . 18375 1 163 . 1 1 18 18 TRP CB C 13 31.32 . . 1 . . . A 18 TRP CB . 18375 1 164 . 1 1 18 18 TRP CD1 C 13 132.04 . . 1 . . . A 18 TRP CD1 . 18375 1 165 . 1 1 18 18 TRP CE3 C 13 119.44 . . 1 . . . A 18 TRP CE3 . 18375 1 166 . 1 1 18 18 TRP CZ2 C 13 117.24 . . 1 . . . A 18 TRP CZ2 . 18375 1 167 . 1 1 18 18 TRP CZ3 C 13 123.42 . . 1 . . . A 18 TRP CZ3 . 18375 1 168 . 1 1 18 18 TRP CH2 C 13 126.19 . . 1 . . . A 18 TRP CH2 . 18375 1 169 . 1 1 18 18 TRP N N 15 123.65 . . 1 . . . A 18 TRP N . 18375 1 170 . 1 1 18 18 TRP NE1 N 15 133.68 . . 1 . . . A 18 TRP NE1 . 18375 1 171 . 1 1 19 19 TYR H H 1 7.68 . . 1 . . . A 19 TYR H . 18375 1 172 . 1 1 19 19 TYR HA H 1 4.12 . . 1 . . . A 19 TYR HA . 18375 1 173 . 1 1 19 19 TYR HB2 H 1 3.95 . . 2 . . . A 19 TYR HB2 . 18375 1 174 . 1 1 19 19 TYR HB3 H 1 2.76 . . 2 . . . A 19 TYR HB3 . 18375 1 175 . 1 1 19 19 TYR HD1 H 1 7.26 . . 1 . . . A 19 TYR HD1 . 18375 1 176 . 1 1 19 19 TYR HD2 H 1 7.26 . . 1 . . . A 19 TYR HD2 . 18375 1 177 . 1 1 19 19 TYR HE1 H 1 6.64 . . 1 . . . A 19 TYR HE1 . 18375 1 178 . 1 1 19 19 TYR HE2 H 1 6.64 . . 1 . . . A 19 TYR HE2 . 18375 1 179 . 1 1 19 19 TYR C C 13 177.17 . . 1 . . . A 19 TYR C . 18375 1 180 . 1 1 19 19 TYR CA C 13 61.37 . . 1 . . . A 19 TYR CA . 18375 1 181 . 1 1 19 19 TYR CB C 13 42.11 . . 1 . . . A 19 TYR CB . 18375 1 182 . 1 1 19 19 TYR CD1 C 13 134.50 . . 1 . . . A 19 TYR CD1 . 18375 1 183 . 1 1 19 19 TYR CD2 C 13 134.50 . . 1 . . . A 19 TYR CD2 . 18375 1 184 . 1 1 19 19 TYR N N 15 115.66 . . 1 . . . A 19 TYR N . 18375 1 185 . 1 1 20 20 VAL H H 1 7.45 . . 1 . . . A 20 VAL H . 18375 1 186 . 1 1 20 20 VAL HA H 1 3.03 . . 1 . . . A 20 VAL HA . 18375 1 187 . 1 1 20 20 VAL HB H 1 2.02 . . 1 . . . A 20 VAL HB . 18375 1 188 . 1 1 20 20 VAL HG11 H 1 1.09 . . 1 . . . A 20 VAL HG11 . 18375 1 189 . 1 1 20 20 VAL HG12 H 1 1.09 . . 1 . . . A 20 VAL HG12 . 18375 1 190 . 1 1 20 20 VAL HG13 H 1 1.09 . . 1 . . . A 20 VAL HG13 . 18375 1 191 . 1 1 20 20 VAL HG21 H 1 1.00 . . 1 . . . A 20 VAL HG21 . 18375 1 192 . 1 1 20 20 VAL HG22 H 1 1.00 . . 1 . . . A 20 VAL HG22 . 18375 1 193 . 1 1 20 20 VAL HG23 H 1 1.00 . . 1 . . . A 20 VAL HG23 . 18375 1 194 . 1 1 20 20 VAL C C 13 176.41 . . 1 . . . A 20 VAL C . 18375 1 195 . 1 1 20 20 VAL CA C 13 68.36 . . 1 . . . A 20 VAL CA . 18375 1 196 . 1 1 20 20 VAL CB C 13 32.21 . . 1 . . . A 20 VAL CB . 18375 1 197 . 1 1 20 20 VAL CG1 C 13 25.77 . . 1 . . . A 20 VAL CG1 . 18375 1 198 . 1 1 20 20 VAL CG2 C 13 25.77 . . 1 . . . A 20 VAL CG2 . 18375 1 199 . 1 1 20 20 VAL N N 15 116.74 . . 1 . . . A 20 VAL N . 18375 1 200 . 1 1 21 21 TYR H H 1 8.37 . . 1 . . . A 21 TYR H . 18375 1 201 . 1 1 21 21 TYR HA H 1 3.56 . . 1 . . . A 21 TYR HA . 18375 1 202 . 1 1 21 21 TYR HB2 H 1 3.05 . . 2 . . . A 21 TYR HB2 . 18375 1 203 . 1 1 21 21 TYR HB3 H 1 2.90 . . 2 . . . A 21 TYR HB3 . 18375 1 204 . 1 1 21 21 TYR HD1 H 1 6.82 . . 1 . . . A 21 TYR HD1 . 18375 1 205 . 1 1 21 21 TYR HD2 H 1 6.82 . . 1 . . . A 21 TYR HD2 . 18375 1 206 . 1 1 21 21 TYR HE1 H 1 6.40 . . 1 . . . A 21 TYR HE1 . 18375 1 207 . 1 1 21 21 TYR HE2 H 1 6.40 . . 1 . . . A 21 TYR HE2 . 18375 1 208 . 1 1 21 21 TYR C C 13 176.49 . . 1 . . . A 21 TYR C . 18375 1 209 . 1 1 21 21 TYR CA C 13 63.99 . . 1 . . . A 21 TYR CA . 18375 1 210 . 1 1 21 21 TYR CB C 13 38.97 . . 1 . . . A 21 TYR CB . 18375 1 211 . 1 1 21 21 TYR CD1 C 13 134.37 . . 1 . . . A 21 TYR CD1 . 18375 1 212 . 1 1 21 21 TYR CD2 C 13 134.37 . . 1 . . . A 21 TYR CD2 . 18375 1 213 . 1 1 21 21 TYR CE1 C 13 118.60 . . 1 . . . A 21 TYR CE1 . 18375 1 214 . 1 1 21 21 TYR CE2 C 13 118.60 . . 1 . . . A 21 TYR CE2 . 18375 1 215 . 1 1 21 21 TYR N N 15 118.55 . . 1 . . . A 21 TYR N . 18375 1 216 . 1 1 22 22 ASP H H 1 6.88 . . 1 . . . A 22 ASP H . 18375 1 217 . 1 1 22 22 ASP HA H 1 4.26 . . 1 . . . A 22 ASP HA . 18375 1 218 . 1 1 22 22 ASP HB2 H 1 2.30 . . 2 . . . A 22 ASP HB2 . 18375 1 219 . 1 1 22 22 ASP HB3 H 1 2.10 . . 2 . . . A 22 ASP HB3 . 18375 1 220 . 1 1 22 22 ASP C C 13 179.69 . . 1 . . . A 22 ASP C . 18375 1 221 . 1 1 22 22 ASP CA C 13 58.01 . . 1 . . . A 22 ASP CA . 18375 1 222 . 1 1 22 22 ASP CB C 13 41.77 . . 1 . . . A 22 ASP CB . 18375 1 223 . 1 1 22 22 ASP N N 15 115.76 . . 1 . . . A 22 ASP N . 18375 1 224 . 1 1 23 23 LYS H H 1 7.82 . . 1 . . . A 23 LYS H . 18375 1 225 . 1 1 23 23 LYS HA H 1 3.61 . . 1 . . . A 23 LYS HA . 18375 1 226 . 1 1 23 23 LYS HB2 H 1 1.14 . . 2 . . . A 23 LYS HB2 . 18375 1 227 . 1 1 23 23 LYS HB3 H 1 0.59 . . 2 . . . A 23 LYS HB3 . 18375 1 228 . 1 1 23 23 LYS HG2 H 1 0.44 . . 2 . . . A 23 LYS HG2 . 18375 1 229 . 1 1 23 23 LYS HG3 H 1 -0.01 . . 2 . . . A 23 LYS HG3 . 18375 1 230 . 1 1 23 23 LYS HD2 H 1 1.11 . . 1 . . . A 23 LYS HD2 . 18375 1 231 . 1 1 23 23 LYS HD3 H 1 1.11 . . 1 . . . A 23 LYS HD3 . 18375 1 232 . 1 1 23 23 LYS HE2 H 1 2.31 . . 2 . . . A 23 LYS HE2 . 18375 1 233 . 1 1 23 23 LYS HE3 H 1 2.01 . . 2 . . . A 23 LYS HE3 . 18375 1 234 . 1 1 23 23 LYS C C 13 178.36 . . 1 . . . A 23 LYS C . 18375 1 235 . 1 1 23 23 LYS CA C 13 57.99 . . 1 . . . A 23 LYS CA . 18375 1 236 . 1 1 23 23 LYS CB C 13 31.35 . . 1 . . . A 23 LYS CB . 18375 1 237 . 1 1 23 23 LYS CG C 13 24.15 . . 1 . . . A 23 LYS CG . 18375 1 238 . 1 1 23 23 LYS CD C 13 27.38 . . 1 . . . A 23 LYS CD . 18375 1 239 . 1 1 23 23 LYS CE C 13 42.57 . . 1 . . . A 23 LYS CE . 18375 1 240 . 1 1 23 23 LYS N N 15 121.79 . . 1 . . . A 23 LYS N . 18375 1 241 . 1 1 24 24 VAL H H 1 7.59 . . 1 . . . A 24 VAL H . 18375 1 242 . 1 1 24 24 VAL HA H 1 4.39 . . 1 . . . A 24 VAL HA . 18375 1 243 . 1 1 24 24 VAL HB H 1 2.48 . . 1 . . . A 24 VAL HB . 18375 1 244 . 1 1 24 24 VAL HG11 H 1 0.96 . . 1 . . . A 24 VAL HG11 . 18375 1 245 . 1 1 24 24 VAL HG12 H 1 0.96 . . 1 . . . A 24 VAL HG12 . 18375 1 246 . 1 1 24 24 VAL HG13 H 1 0.96 . . 1 . . . A 24 VAL HG13 . 18375 1 247 . 1 1 24 24 VAL HG21 H 1 0.80 . . 1 . . . A 24 VAL HG21 . 18375 1 248 . 1 1 24 24 VAL HG22 H 1 0.80 . . 1 . . . A 24 VAL HG22 . 18375 1 249 . 1 1 24 24 VAL HG23 H 1 0.80 . . 1 . . . A 24 VAL HG23 . 18375 1 250 . 1 1 24 24 VAL C C 13 176.84 . . 1 . . . A 24 VAL C . 18375 1 251 . 1 1 24 24 VAL CA C 13 61.43 . . 1 . . . A 24 VAL CA . 18375 1 252 . 1 1 24 24 VAL CB C 13 31.69 . . 1 . . . A 24 VAL CB . 18375 1 253 . 1 1 24 24 VAL CG1 C 13 22.11 . . 2 . . . A 24 VAL CG1 . 18375 1 254 . 1 1 24 24 VAL CG2 C 13 20.31 . . 2 . . . A 24 VAL CG2 . 18375 1 255 . 1 1 24 24 VAL N N 15 108.79 . . 1 . . . A 24 VAL N . 18375 1 256 . 1 1 25 25 GLY H H 1 7.68 . . 1 . . . A 25 GLY H . 18375 1 257 . 1 1 25 25 GLY HA2 H 1 3.56 . . 2 . . . A 25 GLY HA2 . 18375 1 258 . 1 1 25 25 GLY HA3 H 1 3.74 . . 2 . . . A 25 GLY HA3 . 18375 1 259 . 1 1 25 25 GLY C C 13 175.51 . . 1 . . . A 25 GLY C . 18375 1 260 . 1 1 25 25 GLY CA C 13 47.11 . . 1 . . . A 25 GLY CA . 18375 1 261 . 1 1 25 25 GLY N N 15 110.62 . . 1 . . . A 25 GLY N . 18375 1 262 . 1 1 26 26 GLY H H 1 7.87 . . 1 . . . A 26 GLY H . 18375 1 263 . 1 1 26 26 GLY HA2 H 1 2.11 . . 2 . . . A 26 GLY HA2 . 18375 1 264 . 1 1 26 26 GLY HA3 H 1 3.42 . . 2 . . . A 26 GLY HA3 . 18375 1 265 . 1 1 26 26 GLY C C 13 174.47 . . 1 . . . A 26 GLY C . 18375 1 266 . 1 1 26 26 GLY CA C 13 46.44 . . 1 . . . A 26 GLY CA . 18375 1 267 . 1 1 26 26 GLY N N 15 104.41 . . 1 . . . A 26 GLY N . 18375 1 268 . 1 1 27 27 GLU H H 1 6.65 . . 1 . . . A 27 GLU H . 18375 1 269 . 1 1 27 27 GLU HA H 1 4.15 . . 1 . . . A 27 GLU HA . 18375 1 270 . 1 1 27 27 GLU HB2 H 1 2.34 . . 2 . . . A 27 GLU HB2 . 18375 1 271 . 1 1 27 27 GLU HB3 H 1 1.67 . . 2 . . . A 27 GLU HB3 . 18375 1 272 . 1 1 27 27 GLU HG2 H 1 2.33 . . 2 . . . A 27 GLU HG2 . 18375 1 273 . 1 1 27 27 GLU HG3 H 1 2.12 . . 2 . . . A 27 GLU HG3 . 18375 1 274 . 1 1 27 27 GLU C C 13 175.81 . . 1 . . . A 27 GLU C . 18375 1 275 . 1 1 27 27 GLU CA C 13 58.11 . . 1 . . . A 27 GLU CA . 18375 1 276 . 1 1 27 27 GLU CB C 13 30.50 . . 1 . . . A 27 GLU CB . 18375 1 277 . 1 1 27 27 GLU CG C 13 37.14 . . 1 . . . A 27 GLU CG . 18375 1 278 . 1 1 27 27 GLU N N 15 116.72 . . 1 . . . A 27 GLU N . 18375 1 279 . 1 1 28 28 ILE H H 1 6.33 . . 1 . . . A 28 ILE H . 18375 1 280 . 1 1 28 28 ILE HA H 1 4.04 . . 1 . . . A 28 ILE HA . 18375 1 281 . 1 1 28 28 ILE HB H 1 0.33 . . 1 . . . A 28 ILE HB . 18375 1 282 . 1 1 28 28 ILE HG12 H 1 0.39 . . 2 . . . A 28 ILE HG12 . 18375 1 283 . 1 1 28 28 ILE HG13 H 1 0.72 . . 2 . . . A 28 ILE HG13 . 18375 1 284 . 1 1 28 28 ILE HG21 H 1 0.36 . . 1 . . . A 28 ILE HG21 . 18375 1 285 . 1 1 28 28 ILE HG22 H 1 0.36 . . 1 . . . A 28 ILE HG22 . 18375 1 286 . 1 1 28 28 ILE HG23 H 1 0.36 . . 1 . . . A 28 ILE HG23 . 18375 1 287 . 1 1 28 28 ILE HD11 H 1 0.15 . . 1 . . . A 28 ILE HD11 . 18375 1 288 . 1 1 28 28 ILE HD12 H 1 0.15 . . 1 . . . A 28 ILE HD12 . 18375 1 289 . 1 1 28 28 ILE HD13 H 1 0.15 . . 1 . . . A 28 ILE HD13 . 18375 1 290 . 1 1 28 28 ILE CA C 13 60.16 . . 1 . . . A 28 ILE CA . 18375 1 291 . 1 1 28 28 ILE CB C 13 40.94 . . 1 . . . A 28 ILE CB . 18375 1 292 . 1 1 28 28 ILE CG1 C 13 25.73 . . 1 . . . A 28 ILE CG1 . 18375 1 293 . 1 1 28 28 ILE CG2 C 13 19.29 . . 1 . . . A 28 ILE CG2 . 18375 1 294 . 1 1 28 28 ILE CD1 C 13 16.29 . . 1 . . . A 28 ILE CD1 . 18375 1 295 . 1 1 28 28 ILE N N 15 107.23 . . 1 . . . A 28 ILE N . 18375 1 296 . 1 1 29 29 GLY HA2 H 1 2.68 . . 2 . . . A 29 GLY HA2 . 18375 1 297 . 1 1 29 29 GLY HA3 H 1 3.82 . . 2 . . . A 29 GLY HA3 . 18375 1 298 . 1 1 29 29 GLY C C 13 174.05 . . 1 . . . A 29 GLY C . 18375 1 299 . 1 1 29 29 GLY CA C 13 46.19 . . 1 . . . A 29 GLY CA . 18375 1 300 . 1 1 30 30 SER H H 1 8.54 . . 1 . . . A 30 SER H . 18375 1 301 . 1 1 30 30 SER HA H 1 4.14 . . 1 . . . A 30 SER HA . 18375 1 302 . 1 1 30 30 SER HB2 H 1 3.74 . . 2 . . . A 30 SER HB2 . 18375 1 303 . 1 1 30 30 SER HB3 H 1 3.60 . . 2 . . . A 30 SER HB3 . 18375 1 304 . 1 1 30 30 SER C C 13 174.00 . . 1 . . . A 30 SER C . 18375 1 305 . 1 1 30 30 SER CA C 13 60.18 . . 1 . . . A 30 SER CA . 18375 1 306 . 1 1 30 30 SER CB C 13 65.15 . . 1 . . . A 30 SER CB . 18375 1 307 . 1 1 30 30 SER N N 15 115.53 . . 1 . . . A 30 SER N . 18375 1 308 . 1 1 31 31 THR H H 1 7.07 . . 1 . . . A 31 THR H . 18375 1 309 . 1 1 31 31 THR HA H 1 4.46 . . 1 . . . A 31 THR HA . 18375 1 310 . 1 1 31 31 THR HB H 1 4.66 . . 1 . . . A 31 THR HB . 18375 1 311 . 1 1 31 31 THR HG21 H 1 0.99 . . 1 . . . A 31 THR HG21 . 18375 1 312 . 1 1 31 31 THR HG22 H 1 0.99 . . 1 . . . A 31 THR HG22 . 18375 1 313 . 1 1 31 31 THR HG23 H 1 0.99 . . 1 . . . A 31 THR HG23 . 18375 1 314 . 1 1 31 31 THR C C 13 175.39 . . 1 . . . A 31 THR C . 18375 1 315 . 1 1 31 31 THR CA C 13 61.35 . . 1 . . . A 31 THR CA . 18375 1 316 . 1 1 31 31 THR CB C 13 69.19 . . 1 . . . A 31 THR CB . 18375 1 317 . 1 1 31 31 THR CG2 C 13 22.21 . . 1 . . . A 31 THR CG2 . 18375 1 318 . 1 1 31 31 THR N N 15 106.45 . . 1 . . . A 31 THR N . 18375 1 319 . 1 1 32 32 TRP H H 1 7.75 . . 1 . . . A 32 TRP H . 18375 1 320 . 1 1 32 32 TRP HA H 1 4.47 . . 1 . . . A 32 TRP HA . 18375 1 321 . 1 1 32 32 TRP HB2 H 1 2.61 . . 1 . . . A 32 TRP HB2 . 18375 1 322 . 1 1 32 32 TRP HB3 H 1 2.61 . . 1 . . . A 32 TRP HB3 . 18375 1 323 . 1 1 32 32 TRP HD1 H 1 6.66 . . 1 . . . A 32 TRP HD1 . 18375 1 324 . 1 1 32 32 TRP HE1 H 1 10.09 . . 1 . . . A 32 TRP HE1 . 18375 1 325 . 1 1 32 32 TRP HE3 H 1 5.92 . . 1 . . . A 32 TRP HE3 . 18375 1 326 . 1 1 32 32 TRP HZ2 H 1 5.95 . . 1 . . . A 32 TRP HZ2 . 18375 1 327 . 1 1 32 32 TRP HZ3 H 1 5.90 . . 1 . . . A 32 TRP HZ3 . 18375 1 328 . 1 1 32 32 TRP HH2 H 1 6.75 . . 1 . . . A 32 TRP HH2 . 18375 1 329 . 1 1 32 32 TRP C C 13 175.72 . . 1 . . . A 32 TRP C . 18375 1 330 . 1 1 32 32 TRP CA C 13 57.50 . . 1 . . . A 32 TRP CA . 18375 1 331 . 1 1 32 32 TRP CB C 13 28.67 . . 1 . . . A 32 TRP CB . 18375 1 332 . 1 1 32 32 TRP CD1 C 13 123.93 . . 1 . . . A 32 TRP CD1 . 18375 1 333 . 1 1 32 32 TRP CE3 C 13 123.02 . . 1 . . . A 32 TRP CE3 . 18375 1 334 . 1 1 32 32 TRP CZ2 C 13 116.11 . . 1 . . . A 32 TRP CZ2 . 18375 1 335 . 1 1 32 32 TRP CZ3 C 13 124.49 . . 1 . . . A 32 TRP CZ3 . 18375 1 336 . 1 1 32 32 TRP CH2 C 13 125.01 . . 1 . . . A 32 TRP CH2 . 18375 1 337 . 1 1 32 32 TRP N N 15 121.12 . . 1 . . . A 32 TRP N . 18375 1 338 . 1 1 32 32 TRP NE1 N 15 126.30 . . 1 . . . A 32 TRP NE1 . 18375 1 339 . 1 1 33 33 GLY H H 1 8.58 . . 1 . . . A 33 GLY H . 18375 1 340 . 1 1 33 33 GLY HA2 H 1 3.87 . . 2 . . . A 33 GLY HA2 . 18375 1 341 . 1 1 33 33 GLY HA3 H 1 4.34 . . 2 . . . A 33 GLY HA3 . 18375 1 342 . 1 1 33 33 GLY C C 13 175.52 . . 1 . . . A 33 GLY C . 18375 1 343 . 1 1 33 33 GLY CA C 13 46.39 . . 1 . . . A 33 GLY CA . 18375 1 344 . 1 1 33 33 GLY N N 15 107.33 . . 1 . . . A 33 GLY N . 18375 1 345 . 1 1 34 34 ASN H H 1 8.78 . . 1 . . . A 34 ASN H . 18375 1 346 . 1 1 34 34 ASN HA H 1 4.72 . . 1 . . . A 34 ASN HA . 18375 1 347 . 1 1 34 34 ASN HB2 H 1 3.25 . . 2 . . . A 34 ASN HB2 . 18375 1 348 . 1 1 34 34 ASN HB3 H 1 2.95 . . 2 . . . A 34 ASN HB3 . 18375 1 349 . 1 1 34 34 ASN HD21 H 1 7.24 . . 2 . . . A 34 ASN HD21 . 18375 1 350 . 1 1 34 34 ASN HD22 H 1 8.00 . . 2 . . . A 34 ASN HD22 . 18375 1 351 . 1 1 34 34 ASN C C 13 175.71 . . 1 . . . A 34 ASN C . 18375 1 352 . 1 1 34 34 ASN CA C 13 54.63 . . 1 . . . A 34 ASN CA . 18375 1 353 . 1 1 34 34 ASN CB C 13 40.05 . . 1 . . . A 34 ASN CB . 18375 1 354 . 1 1 34 34 ASN N N 15 118.87 . . 1 . . . A 34 ASN N . 18375 1 355 . 1 1 34 34 ASN ND2 N 15 114.72 . . 1 . . . A 34 ASN ND2 . 18375 1 356 . 1 1 35 35 ALA H H 1 8.75 . . 1 . . . A 35 ALA H . 18375 1 357 . 1 1 35 35 ALA HA H 1 2.92 . . 1 . . . A 35 ALA HA . 18375 1 358 . 1 1 35 35 ALA HB1 H 1 1.08 . . 1 . . . A 35 ALA HB1 . 18375 1 359 . 1 1 35 35 ALA HB2 H 1 1.08 . . 1 . . . A 35 ALA HB2 . 18375 1 360 . 1 1 35 35 ALA HB3 H 1 1.08 . . 1 . . . A 35 ALA HB3 . 18375 1 361 . 1 1 35 35 ALA C C 13 179.71 . . 1 . . . A 35 ALA C . 18375 1 362 . 1 1 35 35 ALA CA C 13 55.95 . . 1 . . . A 35 ALA CA . 18375 1 363 . 1 1 35 35 ALA CB C 13 20.46 . . 1 . . . A 35 ALA CB . 18375 1 364 . 1 1 35 35 ALA N N 15 121.96 . . 1 . . . A 35 ALA N . 18375 1 365 . 1 1 36 36 ASN H H 1 8.41 . . 1 . . . A 36 ASN H . 18375 1 366 . 1 1 36 36 ASN HA H 1 4.17 . . 1 . . . A 36 ASN HA . 18375 1 367 . 1 1 36 36 ASN HB2 H 1 3.15 . . 2 . . . A 36 ASN HB2 . 18375 1 368 . 1 1 36 36 ASN HB3 H 1 2.47 . . 2 . . . A 36 ASN HB3 . 18375 1 369 . 1 1 36 36 ASN HD21 H 1 6.86 . . 2 . . . A 36 ASN HD21 . 18375 1 370 . 1 1 36 36 ASN HD22 H 1 7.74 . . 2 . . . A 36 ASN HD22 . 18375 1 371 . 1 1 36 36 ASN C C 13 175.20 . . 1 . . . A 36 ASN C . 18375 1 372 . 1 1 36 36 ASN CA C 13 55.93 . . 1 . . . A 36 ASN CA . 18375 1 373 . 1 1 36 36 ASN CB C 13 36.69 . . 1 . . . A 36 ASN CB . 18375 1 374 . 1 1 36 36 ASN N N 15 114.94 . . 1 . . . A 36 ASN N . 18375 1 375 . 1 1 36 36 ASN ND2 N 15 109.56 . . 1 . . . A 36 ASN ND2 . 18375 1 376 . 1 1 37 37 ASN H H 1 8.85 . . 1 . . . A 37 ASN H . 18375 1 377 . 1 1 37 37 ASN HA H 1 5.06 . . 1 . . . A 37 ASN HA . 18375 1 378 . 1 1 37 37 ASN HB2 H 1 3.58 . . 2 . . . A 37 ASN HB2 . 18375 1 379 . 1 1 37 37 ASN HB3 H 1 2.82 . . 2 . . . A 37 ASN HB3 . 18375 1 380 . 1 1 37 37 ASN HD21 H 1 6.92 . . 2 . . . A 37 ASN HD21 . 18375 1 381 . 1 1 37 37 ASN HD22 H 1 7.90 . . 2 . . . A 37 ASN HD22 . 18375 1 382 . 1 1 37 37 ASN C C 13 176.53 . . 1 . . . A 37 ASN C . 18375 1 383 . 1 1 37 37 ASN CA C 13 54.25 . . 1 . . . A 37 ASN CA . 18375 1 384 . 1 1 37 37 ASN CB C 13 41.72 . . 1 . . . A 37 ASN CB . 18375 1 385 . 1 1 37 37 ASN N N 15 120.18 . . 1 . . . A 37 ASN N . 18375 1 386 . 1 1 37 37 ASN ND2 N 15 115.81 . . 1 . . . A 37 ASN ND2 . 18375 1 387 . 1 1 38 38 TRP H H 1 8.24 . . 1 . . . A 38 TRP H . 18375 1 388 . 1 1 38 38 TRP HA H 1 4.19 . . 1 . . . A 38 TRP HA . 18375 1 389 . 1 1 38 38 TRP HB2 H 1 3.17 . . 1 . . . A 38 TRP HB2 . 18375 1 390 . 1 1 38 38 TRP HB3 H 1 3.17 . . 1 . . . A 38 TRP HB3 . 18375 1 391 . 1 1 38 38 TRP HD1 H 1 7.20 . . 1 . . . A 38 TRP HD1 . 18375 1 392 . 1 1 38 38 TRP HE1 H 1 9.66 . . 1 . . . A 38 TRP HE1 . 18375 1 393 . 1 1 38 38 TRP HE3 H 1 7.31 . . 1 . . . A 38 TRP HE3 . 18375 1 394 . 1 1 38 38 TRP HZ2 H 1 7.13 . . 1 . . . A 38 TRP HZ2 . 18375 1 395 . 1 1 38 38 TRP HZ3 H 1 6.83 . . 1 . . . A 38 TRP HZ3 . 18375 1 396 . 1 1 38 38 TRP HH2 H 1 6.28 . . 1 . . . A 38 TRP HH2 . 18375 1 397 . 1 1 38 38 TRP C C 13 177.39 . . 1 . . . A 38 TRP C . 18375 1 398 . 1 1 38 38 TRP CA C 13 63.45 . . 1 . . . A 38 TRP CA . 18375 1 399 . 1 1 38 38 TRP CB C 13 29.68 . . 1 . . . A 38 TRP CB . 18375 1 400 . 1 1 38 38 TRP CD1 C 13 128.70 . . 1 . . . A 38 TRP CD1 . 18375 1 401 . 1 1 38 38 TRP CE3 C 13 120.06 . . 1 . . . A 38 TRP CE3 . 18375 1 402 . 1 1 38 38 TRP CZ2 C 13 113.04 . . 1 . . . A 38 TRP CZ2 . 18375 1 403 . 1 1 38 38 TRP CZ3 C 13 122.23 . . 1 . . . A 38 TRP CZ3 . 18375 1 404 . 1 1 38 38 TRP CH2 C 13 121.60 . . 1 . . . A 38 TRP CH2 . 18375 1 405 . 1 1 38 38 TRP N N 15 118.41 . . 1 . . . A 38 TRP N . 18375 1 406 . 1 1 38 38 TRP NE1 N 15 128.13 . . 1 . . . A 38 TRP NE1 . 18375 1 407 . 1 1 39 39 ALA H H 1 7.15 . . 1 . . . A 39 ALA H . 18375 1 408 . 1 1 39 39 ALA HA H 1 3.77 . . 1 . . . A 39 ALA HA . 18375 1 409 . 1 1 39 39 ALA HB1 H 1 1.19 . . 1 . . . A 39 ALA HB1 . 18375 1 410 . 1 1 39 39 ALA HB2 H 1 1.19 . . 1 . . . A 39 ALA HB2 . 18375 1 411 . 1 1 39 39 ALA HB3 H 1 1.19 . . 1 . . . A 39 ALA HB3 . 18375 1 412 . 1 1 39 39 ALA C C 13 178.58 . . 1 . . . A 39 ALA C . 18375 1 413 . 1 1 39 39 ALA CA C 13 56.76 . . 1 . . . A 39 ALA CA . 18375 1 414 . 1 1 39 39 ALA CB C 13 18.02 . . 1 . . . A 39 ALA CB . 18375 1 415 . 1 1 39 39 ALA N N 15 118.40 . . 1 . . . A 39 ALA N . 18375 1 416 . 1 1 40 40 ALA H H 1 8.06 . . 1 . . . A 40 ALA H . 18375 1 417 . 1 1 40 40 ALA HA H 1 3.99 . . 1 . . . A 40 ALA HA . 18375 1 418 . 1 1 40 40 ALA HB1 H 1 1.35 . . 1 . . . A 40 ALA HB1 . 18375 1 419 . 1 1 40 40 ALA HB2 H 1 1.35 . . 1 . . . A 40 ALA HB2 . 18375 1 420 . 1 1 40 40 ALA HB3 H 1 1.35 . . 1 . . . A 40 ALA HB3 . 18375 1 421 . 1 1 40 40 ALA C C 13 171.32 . . 1 . . . A 40 ALA C . 18375 1 422 . 1 1 40 40 ALA CA C 13 55.61 . . 1 . . . A 40 ALA CA . 18375 1 423 . 1 1 40 40 ALA CB C 13 18.84 . . 1 . . . A 40 ALA CB . 18375 1 424 . 1 1 40 40 ALA N N 15 121.83 . . 1 . . . A 40 ALA N . 18375 1 425 . 1 1 41 41 ALA H H 1 8.25 . . 1 . . . A 41 ALA H . 18375 1 426 . 1 1 41 41 ALA HA H 1 3.63 . . 1 . . . A 41 ALA HA . 18375 1 427 . 1 1 41 41 ALA HB1 H 1 0.44 . . 1 . . . A 41 ALA HB1 . 18375 1 428 . 1 1 41 41 ALA HB2 H 1 0.44 . . 1 . . . A 41 ALA HB2 . 18375 1 429 . 1 1 41 41 ALA HB3 H 1 0.44 . . 1 . . . A 41 ALA HB3 . 18375 1 430 . 1 1 41 41 ALA C C 13 180.11 . . 1 . . . A 41 ALA C . 18375 1 431 . 1 1 41 41 ALA CA C 13 55.24 . . 1 . . . A 41 ALA CA . 18375 1 432 . 1 1 41 41 ALA CB C 13 18.02 . . 1 . . . A 41 ALA CB . 18375 1 433 . 1 1 41 41 ALA N N 15 122.20 . . 1 . . . A 41 ALA N . 18375 1 434 . 1 1 42 42 ALA H H 1 7.71 . . 1 . . . A 42 ALA H . 18375 1 435 . 1 1 42 42 ALA HA H 1 3.27 . . 1 . . . A 42 ALA HA . 18375 1 436 . 1 1 42 42 ALA HB1 H 1 0.90 . . 1 . . . A 42 ALA HB1 . 18375 1 437 . 1 1 42 42 ALA HB2 H 1 0.90 . . 1 . . . A 42 ALA HB2 . 18375 1 438 . 1 1 42 42 ALA HB3 H 1 0.90 . . 1 . . . A 42 ALA HB3 . 18375 1 439 . 1 1 42 42 ALA C C 13 180.16 . . 1 . . . A 42 ALA C . 18375 1 440 . 1 1 42 42 ALA CA C 13 55.48 . . 1 . . . A 42 ALA CA . 18375 1 441 . 1 1 42 42 ALA CB C 13 19.89 . . 1 . . . A 42 ALA CB . 18375 1 442 . 1 1 42 42 ALA N N 15 119.60 . . 1 . . . A 42 ALA N . 18375 1 443 . 1 1 43 43 GLN H H 1 7.88 . . 1 . . . A 43 GLN H . 18375 1 444 . 1 1 43 43 GLN HA H 1 4.34 . . 1 . . . A 43 GLN HA . 18375 1 445 . 1 1 43 43 GLN HB2 H 1 2.12 . . 2 . . . A 43 GLN HB2 . 18375 1 446 . 1 1 43 43 GLN HB3 H 1 2.09 . . 2 . . . A 43 GLN HB3 . 18375 1 447 . 1 1 43 43 GLN HG2 H 1 2.55 . . 2 . . . A 43 GLN HG2 . 18375 1 448 . 1 1 43 43 GLN HG3 H 1 2.36 . . 2 . . . A 43 GLN HG3 . 18375 1 449 . 1 1 43 43 GLN HE21 H 1 6.82 . . 2 . . . A 43 GLN HE21 . 18375 1 450 . 1 1 43 43 GLN HE22 H 1 7.39 . . 2 . . . A 43 GLN HE22 . 18375 1 451 . 1 1 43 43 GLN C C 13 170.98 . . 1 . . . A 43 GLN C . 18375 1 452 . 1 1 43 43 GLN CA C 13 60.20 . . 1 . . . A 43 GLN CA . 18375 1 453 . 1 1 43 43 GLN CB C 13 29.71 . . 1 . . . A 43 GLN CB . 18375 1 454 . 1 1 43 43 GLN CG C 13 35.55 . . 1 . . . A 43 GLN CG . 18375 1 455 . 1 1 43 43 GLN N N 15 118.75 . . 1 . . . A 43 GLN N . 18375 1 456 . 1 1 43 43 GLN NE2 N 15 111.45 . . 1 . . . A 43 GLN NE2 . 18375 1 457 . 1 1 44 44 GLY H H 1 8.01 . . 1 . . . A 44 GLY H . 18375 1 458 . 1 1 44 44 GLY HA2 H 1 3.82 . . 2 . . . A 44 GLY HA2 . 18375 1 459 . 1 1 44 44 GLY HA3 H 1 3.92 . . 2 . . . A 44 GLY HA3 . 18375 1 460 . 1 1 44 44 GLY C C 13 174.30 . . 1 . . . A 44 GLY C . 18375 1 461 . 1 1 44 44 GLY CA C 13 47.66 . . 1 . . . A 44 GLY CA . 18375 1 462 . 1 1 44 44 GLY N N 15 107.76 . . 1 . . . A 44 GLY N . 18375 1 463 . 1 1 45 45 ALA H H 1 7.54 . . 1 . . . A 45 ALA H . 18375 1 464 . 1 1 45 45 ALA HA H 1 4.62 . . 1 . . . A 45 ALA HA . 18375 1 465 . 1 1 45 45 ALA HB1 H 1 1.85 . . 1 . . . A 45 ALA HB1 . 18375 1 466 . 1 1 45 45 ALA HB2 H 1 1.85 . . 1 . . . A 45 ALA HB2 . 18375 1 467 . 1 1 45 45 ALA HB3 H 1 1.85 . . 1 . . . A 45 ALA HB3 . 18375 1 468 . 1 1 45 45 ALA C C 13 177.19 . . 1 . . . A 45 ALA C . 18375 1 469 . 1 1 45 45 ALA CA C 13 52.68 . . 1 . . . A 45 ALA CA . 18375 1 470 . 1 1 45 45 ALA CB C 13 20.56 . . 1 . . . A 45 ALA CB . 18375 1 471 . 1 1 45 45 ALA N N 15 121.48 . . 1 . . . A 45 ALA N . 18375 1 472 . 1 1 46 46 GLY H H 1 7.68 . . 1 . . . A 46 GLY H . 18375 1 473 . 1 1 46 46 GLY HA2 H 1 3.75 . . 2 . . . A 46 GLY HA2 . 18375 1 474 . 1 1 46 46 GLY HA3 H 1 4.20 . . 2 . . . A 46 GLY HA3 . 18375 1 475 . 1 1 46 46 GLY C C 13 174.98 . . 1 . . . A 46 GLY C . 18375 1 476 . 1 1 46 46 GLY CA C 13 46.54 . . 1 . . . A 46 GLY CA . 18375 1 477 . 1 1 46 46 GLY N N 15 105.69 . . 1 . . . A 46 GLY N . 18375 1 478 . 1 1 47 47 PHE H H 1 8.28 . . 1 . . . A 47 PHE H . 18375 1 479 . 1 1 47 47 PHE HA H 1 4.62 . . 1 . . . A 47 PHE HA . 18375 1 480 . 1 1 47 47 PHE HB2 H 1 3.06 . . 2 . . . A 47 PHE HB2 . 18375 1 481 . 1 1 47 47 PHE HB3 H 1 2.70 . . 2 . . . A 47 PHE HB3 . 18375 1 482 . 1 1 47 47 PHE HD1 H 1 7.70 . . 1 . . . A 47 PHE HD1 . 18375 1 483 . 1 1 47 47 PHE HD2 H 1 7.70 . . 1 . . . A 47 PHE HD2 . 18375 1 484 . 1 1 47 47 PHE HE1 H 1 7.64 . . 1 . . . A 47 PHE HE1 . 18375 1 485 . 1 1 47 47 PHE HE2 H 1 7.64 . . 1 . . . A 47 PHE HE2 . 18375 1 486 . 1 1 47 47 PHE HZ H 1 7.09 . . 1 . . . A 47 PHE HZ . 18375 1 487 . 1 1 47 47 PHE C C 13 176.12 . . 1 . . . A 47 PHE C . 18375 1 488 . 1 1 47 47 PHE CA C 13 59.00 . . 1 . . . A 47 PHE CA . 18375 1 489 . 1 1 47 47 PHE CB C 13 40.35 . . 1 . . . A 47 PHE CB . 18375 1 490 . 1 1 47 47 PHE CD1 C 13 133.14 . . 1 . . . A 47 PHE CD1 . 18375 1 491 . 1 1 47 47 PHE CD2 C 13 133.14 . . 1 . . . A 47 PHE CD2 . 18375 1 492 . 1 1 47 47 PHE CE1 C 13 132.46 . . 1 . . . A 47 PHE CE1 . 18375 1 493 . 1 1 47 47 PHE CE2 C 13 132.46 . . 1 . . . A 47 PHE CE2 . 18375 1 494 . 1 1 47 47 PHE N N 15 119.96 . . 1 . . . A 47 PHE N . 18375 1 495 . 1 1 48 48 THR H H 1 9.26 . . 1 . . . A 48 THR H . 18375 1 496 . 1 1 48 48 THR HA H 1 4.19 . . 1 . . . A 48 THR HA . 18375 1 497 . 1 1 48 48 THR HB H 1 4.15 . . 1 . . . A 48 THR HB . 18375 1 498 . 1 1 48 48 THR HG21 H 1 1.15 . . 1 . . . A 48 THR HG21 . 18375 1 499 . 1 1 48 48 THR HG22 H 1 1.15 . . 1 . . . A 48 THR HG22 . 18375 1 500 . 1 1 48 48 THR HG23 H 1 1.15 . . 1 . . . A 48 THR HG23 . 18375 1 501 . 1 1 48 48 THR C C 13 173.00 . . 1 . . . A 48 THR C . 18375 1 502 . 1 1 48 48 THR CA C 13 65.15 . . 1 . . . A 48 THR CA . 18375 1 503 . 1 1 48 48 THR CB C 13 70.53 . . 1 . . . A 48 THR CB . 18375 1 504 . 1 1 48 48 THR CG2 C 13 22.71 . . 1 . . . A 48 THR CG2 . 18375 1 505 . 1 1 48 48 THR N N 15 120.68 . . 1 . . . A 48 THR N . 18375 1 506 . 1 1 49 49 VAL H H 1 8.56 . . 1 . . . A 49 VAL H . 18375 1 507 . 1 1 49 49 VAL HA H 1 5.38 . . 1 . . . A 49 VAL HA . 18375 1 508 . 1 1 49 49 VAL HB H 1 1.91 . . 1 . . . A 49 VAL HB . 18375 1 509 . 1 1 49 49 VAL HG11 H 1 0.95 . . 1 . . . A 49 VAL HG11 . 18375 1 510 . 1 1 49 49 VAL HG12 H 1 0.95 . . 1 . . . A 49 VAL HG12 . 18375 1 511 . 1 1 49 49 VAL HG13 H 1 0.95 . . 1 . . . A 49 VAL HG13 . 18375 1 512 . 1 1 49 49 VAL HG21 H 1 0.76 . . 1 . . . A 49 VAL HG21 . 18375 1 513 . 1 1 49 49 VAL HG22 H 1 0.76 . . 1 . . . A 49 VAL HG22 . 18375 1 514 . 1 1 49 49 VAL HG23 H 1 0.76 . . 1 . . . A 49 VAL HG23 . 18375 1 515 . 1 1 49 49 VAL C C 13 175.57 . . 1 . . . A 49 VAL C . 18375 1 516 . 1 1 49 49 VAL CA C 13 61.51 . . 1 . . . A 49 VAL CA . 18375 1 517 . 1 1 49 49 VAL CB C 13 34.96 . . 1 . . . A 49 VAL CB . 18375 1 518 . 1 1 49 49 VAL CG1 C 13 23.16 . . 2 . . . A 49 VAL CG1 . 18375 1 519 . 1 1 49 49 VAL CG2 C 13 21.89 . . 2 . . . A 49 VAL CG2 . 18375 1 520 . 1 1 49 49 VAL N N 15 129.34 . . 1 . . . A 49 VAL N . 18375 1 521 . 1 1 50 50 ASN H H 1 9.01 . . 1 . . . A 50 ASN H . 18375 1 522 . 1 1 50 50 ASN HA H 1 4.80 . . 1 . . . A 50 ASN HA . 18375 1 523 . 1 1 50 50 ASN HB2 H 1 3.42 . . 2 . . . A 50 ASN HB2 . 18375 1 524 . 1 1 50 50 ASN HB3 H 1 3.10 . . 2 . . . A 50 ASN HB3 . 18375 1 525 . 1 1 50 50 ASN HD21 H 1 7.05 . . 2 . . . A 50 ASN HD21 . 18375 1 526 . 1 1 50 50 ASN HD22 H 1 7.80 . . 2 . . . A 50 ASN HD22 . 18375 1 527 . 1 1 50 50 ASN C C 13 174.27 . . 1 . . . A 50 ASN C . 18375 1 528 . 1 1 50 50 ASN CA C 13 53.43 . . 1 . . . A 50 ASN CA . 18375 1 529 . 1 1 50 50 ASN CB C 13 39.10 . . 1 . . . A 50 ASN CB . 18375 1 530 . 1 1 50 50 ASN N N 15 125.00 . . 1 . . . A 50 ASN N . 18375 1 531 . 1 1 50 50 ASN ND2 N 15 114.09 . . 1 . . . A 50 ASN ND2 . 18375 1 532 . 1 1 51 51 HIS H H 1 8.55 . . 1 . . . A 51 HIS H . 18375 1 533 . 1 1 51 51 HIS HA H 1 5.76 . . 1 . . . A 51 HIS HA . 18375 1 534 . 1 1 51 51 HIS HB2 H 1 4.20 . . 2 . . . A 51 HIS HB2 . 18375 1 535 . 1 1 51 51 HIS HB3 H 1 3.15 . . 2 . . . A 51 HIS HB3 . 18375 1 536 . 1 1 51 51 HIS HD2 H 1 7.32 . . 1 . . . A 51 HIS HD2 . 18375 1 537 . 1 1 51 51 HIS C C 13 174.06 . . 1 . . . A 51 HIS C . 18375 1 538 . 1 1 51 51 HIS CA C 13 56.36 . . 1 . . . A 51 HIS CA . 18375 1 539 . 1 1 51 51 HIS CB C 13 29.98 . . 1 . . . A 51 HIS CB . 18375 1 540 . 1 1 51 51 HIS CD2 C 13 121.83 . . 1 . . . A 51 HIS CD2 . 18375 1 541 . 1 1 51 51 HIS N N 15 114.65 . . 1 . . . A 51 HIS N . 18375 1 542 . 1 1 52 52 THR H H 1 8.50 . . 1 . . . A 52 THR H . 18375 1 543 . 1 1 52 52 THR HA H 1 4.60 . . 1 . . . A 52 THR HA . 18375 1 544 . 1 1 52 52 THR HB H 1 3.93 . . 1 . . . A 52 THR HB . 18375 1 545 . 1 1 52 52 THR HG21 H 1 1.10 . . 1 . . . A 52 THR HG21 . 18375 1 546 . 1 1 52 52 THR HG22 H 1 1.10 . . 1 . . . A 52 THR HG22 . 18375 1 547 . 1 1 52 52 THR HG23 H 1 1.10 . . 1 . . . A 52 THR HG23 . 18375 1 548 . 1 1 52 52 THR CA C 13 60.14 . . 1 . . . A 52 THR CA . 18375 1 549 . 1 1 52 52 THR CB C 13 71.89 . . 1 . . . A 52 THR CB . 18375 1 550 . 1 1 52 52 THR CG2 C 13 22.34 . . 1 . . . A 52 THR CG2 . 18375 1 551 . 1 1 52 52 THR N N 15 119.91 . . 1 . . . A 52 THR N . 18375 1 552 . 1 1 53 53 PRO HA H 1 2.92 . . 1 . . . A 53 PRO HA . 18375 1 553 . 1 1 53 53 PRO HB2 H 1 1.32 . . 2 . . . A 53 PRO HB2 . 18375 1 554 . 1 1 53 53 PRO HB3 H 1 1.22 . . 2 . . . A 53 PRO HB3 . 18375 1 555 . 1 1 53 53 PRO HG2 H 1 1.77 . . 2 . . . A 53 PRO HG2 . 18375 1 556 . 1 1 53 53 PRO HG3 H 1 1.57 . . 2 . . . A 53 PRO HG3 . 18375 1 557 . 1 1 53 53 PRO HD2 H 1 3.69 . . 2 . . . A 53 PRO HD2 . 18375 1 558 . 1 1 53 53 PRO HD3 H 1 3.52 . . 2 . . . A 53 PRO HD3 . 18375 1 559 . 1 1 53 53 PRO C C 13 175.41 . . 1 . . . A 53 PRO C . 18375 1 560 . 1 1 53 53 PRO CA C 13 62.46 . . 1 . . . A 53 PRO CA . 18375 1 561 . 1 1 53 53 PRO CB C 13 33.41 . . 1 . . . A 53 PRO CB . 18375 1 562 . 1 1 53 53 PRO CG C 13 27.39 . . 1 . . . A 53 PRO CG . 18375 1 563 . 1 1 53 53 PRO CD C 13 50.91 . . 1 . . . A 53 PRO CD . 18375 1 564 . 1 1 54 54 SER H H 1 6.00 . . 1 . . . A 54 SER H . 18375 1 565 . 1 1 54 54 SER HA H 1 4.30 . . 1 . . . A 54 SER HA . 18375 1 566 . 1 1 54 54 SER HB2 H 1 3.78 . . 2 . . . A 54 SER HB2 . 18375 1 567 . 1 1 54 54 SER HB3 H 1 3.73 . . 2 . . . A 54 SER HB3 . 18375 1 568 . 1 1 54 54 SER C C 13 172.38 . . 1 . . . A 54 SER C . 18375 1 569 . 1 1 54 54 SER CA C 13 58.27 . . 1 . . . A 54 SER CA . 18375 1 570 . 1 1 54 54 SER CB C 13 66.62 . . 1 . . . A 54 SER CB . 18375 1 571 . 1 1 54 54 SER N N 15 108.99 . . 1 . . . A 54 SER N . 18375 1 572 . 1 1 55 55 LYS H H 1 8.86 . . 1 . . . A 55 LYS H . 18375 1 573 . 1 1 55 55 LYS HA H 1 3.50 . . 1 . . . A 55 LYS HA . 18375 1 574 . 1 1 55 55 LYS HB2 H 1 1.76 . . 2 . . . A 55 LYS HB2 . 18375 1 575 . 1 1 55 55 LYS HB3 H 1 1.70 . . 2 . . . A 55 LYS HB3 . 18375 1 576 . 1 1 55 55 LYS HG2 H 1 1.43 . . 2 . . . A 55 LYS HG2 . 18375 1 577 . 1 1 55 55 LYS HG3 H 1 1.25 . . 2 . . . A 55 LYS HG3 . 18375 1 578 . 1 1 55 55 LYS HD2 H 1 1.76 . . 2 . . . A 55 LYS HD2 . 18375 1 579 . 1 1 55 55 LYS HD3 H 1 1.67 . . 2 . . . A 55 LYS HD3 . 18375 1 580 . 1 1 55 55 LYS HE2 H 1 3.07 . . 1 . . . A 55 LYS HE2 . 18375 1 581 . 1 1 55 55 LYS HE3 H 1 3.07 . . 1 . . . A 55 LYS HE3 . 18375 1 582 . 1 1 55 55 LYS C C 13 177.15 . . 1 . . . A 55 LYS C . 18375 1 583 . 1 1 55 55 LYS CA C 13 59.85 . . 1 . . . A 55 LYS CA . 18375 1 584 . 1 1 55 55 LYS CB C 13 33.01 . . 1 . . . A 55 LYS CB . 18375 1 585 . 1 1 55 55 LYS CG C 13 25.63 . . 1 . . . A 55 LYS CG . 18375 1 586 . 1 1 55 55 LYS CD C 13 30.50 . . 1 . . . A 55 LYS CD . 18375 1 587 . 1 1 55 55 LYS CE C 13 42.96 . . 1 . . . A 55 LYS CE . 18375 1 588 . 1 1 55 55 LYS N N 15 124.47 . . 1 . . . A 55 LYS N . 18375 1 589 . 1 1 56 56 GLY H H 1 8.95 . . 1 . . . A 56 GLY H . 18375 1 590 . 1 1 56 56 GLY HA2 H 1 3.35 . . 2 . . . A 56 GLY HA2 . 18375 1 591 . 1 1 56 56 GLY HA3 H 1 4.14 . . 2 . . . A 56 GLY HA3 . 18375 1 592 . 1 1 56 56 GLY C C 13 173.43 . . 1 . . . A 56 GLY C . 18375 1 593 . 1 1 56 56 GLY CA C 13 45.60 . . 1 . . . A 56 GLY CA . 18375 1 594 . 1 1 56 56 GLY N N 15 116.71 . . 1 . . . A 56 GLY N . 18375 1 595 . 1 1 57 57 ALA H H 1 7.42 . . 1 . . . A 57 ALA H . 18375 1 596 . 1 1 57 57 ALA HA H 1 4.63 . . 1 . . . A 57 ALA HA . 18375 1 597 . 1 1 57 57 ALA HB1 H 1 1.11 . . 1 . . . A 57 ALA HB1 . 18375 1 598 . 1 1 57 57 ALA HB2 H 1 1.11 . . 1 . . . A 57 ALA HB2 . 18375 1 599 . 1 1 57 57 ALA HB3 H 1 1.11 . . 1 . . . A 57 ALA HB3 . 18375 1 600 . 1 1 57 57 ALA C C 13 174.57 . . 1 . . . A 57 ALA C . 18375 1 601 . 1 1 57 57 ALA CA C 13 51.84 . . 1 . . . A 57 ALA CA . 18375 1 602 . 1 1 57 57 ALA CB C 13 20.96 . . 1 . . . A 57 ALA CB . 18375 1 603 . 1 1 57 57 ALA N N 15 118.94 . . 1 . . . A 57 ALA N . 18375 1 604 . 1 1 58 58 ILE H H 1 8.35 . . 1 . . . A 58 ILE H . 18375 1 605 . 1 1 58 58 ILE HA H 1 4.72 . . 1 . . . A 58 ILE HA . 18375 1 606 . 1 1 58 58 ILE HB H 1 2.01 . . 1 . . . A 58 ILE HB . 18375 1 607 . 1 1 58 58 ILE HG12 H 1 0.98 . . 2 . . . A 58 ILE HG12 . 18375 1 608 . 1 1 58 58 ILE HG13 H 1 1.85 . . 2 . . . A 58 ILE HG13 . 18375 1 609 . 1 1 58 58 ILE HG21 H 1 1.14 . . 1 . . . A 58 ILE HG21 . 18375 1 610 . 1 1 58 58 ILE HG22 H 1 1.14 . . 1 . . . A 58 ILE HG22 . 18375 1 611 . 1 1 58 58 ILE HG23 H 1 1.14 . . 1 . . . A 58 ILE HG23 . 18375 1 612 . 1 1 58 58 ILE HD11 H 1 1.04 . . 1 . . . A 58 ILE HD11 . 18375 1 613 . 1 1 58 58 ILE HD12 H 1 1.04 . . 1 . . . A 58 ILE HD12 . 18375 1 614 . 1 1 58 58 ILE HD13 H 1 1.04 . . 1 . . . A 58 ILE HD13 . 18375 1 615 . 1 1 58 58 ILE C C 13 176.92 . . 1 . . . A 58 ILE C . 18375 1 616 . 1 1 58 58 ILE CA C 13 60.91 . . 1 . . . A 58 ILE CA . 18375 1 617 . 1 1 58 58 ILE CB C 13 41.82 . . 1 . . . A 58 ILE CB . 18375 1 618 . 1 1 58 58 ILE CG1 C 13 27.86 . . 1 . . . A 58 ILE CG1 . 18375 1 619 . 1 1 58 58 ILE CG2 C 13 18.62 . . 1 . . . A 58 ILE CG2 . 18375 1 620 . 1 1 58 58 ILE CD1 C 13 16.33 . . 1 . . . A 58 ILE CD1 . 18375 1 621 . 1 1 58 58 ILE N N 15 117.34 . . 1 . . . A 58 ILE N . 18375 1 622 . 1 1 59 59 LEU H H 1 8.43 . . 1 . . . A 59 LEU H . 18375 1 623 . 1 1 59 59 LEU HA H 1 4.22 . . 1 . . . A 59 LEU HA . 18375 1 624 . 1 1 59 59 LEU HB2 H 1 1.32 . . 2 . . . A 59 LEU HB2 . 18375 1 625 . 1 1 59 59 LEU HB3 H 1 1.00 . . 2 . . . A 59 LEU HB3 . 18375 1 626 . 1 1 59 59 LEU HG H 1 0.26 . . 1 . . . A 59 LEU HG . 18375 1 627 . 1 1 59 59 LEU HD11 H 1 0.93 . . 1 . . . A 59 LEU HD11 . 18375 1 628 . 1 1 59 59 LEU HD12 H 1 0.93 . . 1 . . . A 59 LEU HD12 . 18375 1 629 . 1 1 59 59 LEU HD13 H 1 0.93 . . 1 . . . A 59 LEU HD13 . 18375 1 630 . 1 1 59 59 LEU HD21 H 1 0.11 . . 1 . . . A 59 LEU HD21 . 18375 1 631 . 1 1 59 59 LEU HD22 H 1 0.11 . . 1 . . . A 59 LEU HD22 . 18375 1 632 . 1 1 59 59 LEU HD23 H 1 0.11 . . 1 . . . A 59 LEU HD23 . 18375 1 633 . 1 1 59 59 LEU C C 13 174.53 . . 1 . . . A 59 LEU C . 18375 1 634 . 1 1 59 59 LEU CA C 13 56.43 . . 1 . . . A 59 LEU CA . 18375 1 635 . 1 1 59 59 LEU CB C 13 44.16 . . 1 . . . A 59 LEU CB . 18375 1 636 . 1 1 59 59 LEU CG C 13 28.28 . . 1 . . . A 59 LEU CG . 18375 1 637 . 1 1 59 59 LEU CD1 C 13 28.13 . . 2 . . . A 59 LEU CD1 . 18375 1 638 . 1 1 59 59 LEU CD2 C 13 24.53 . . 2 . . . A 59 LEU CD2 . 18375 1 639 . 1 1 59 59 LEU N N 15 130.37 . . 1 . . . A 59 LEU N . 18375 1 640 . 1 1 60 60 GLN H H 1 9.49 . . 1 . . . A 60 GLN H . 18375 1 641 . 1 1 60 60 GLN HA H 1 4.97 . . 1 . . . A 60 GLN HA . 18375 1 642 . 1 1 60 60 GLN HB2 H 1 2.20 . . 2 . . . A 60 GLN HB2 . 18375 1 643 . 1 1 60 60 GLN HB3 H 1 1.43 . . 2 . . . A 60 GLN HB3 . 18375 1 644 . 1 1 60 60 GLN HG2 H 1 2.51 . . 2 . . . A 60 GLN HG2 . 18375 1 645 . 1 1 60 60 GLN HG3 H 1 2.35 . . 2 . . . A 60 GLN HG3 . 18375 1 646 . 1 1 60 60 GLN HE21 H 1 6.49 . . 2 . . . A 60 GLN HE21 . 18375 1 647 . 1 1 60 60 GLN HE22 H 1 7.46 . . 2 . . . A 60 GLN HE22 . 18375 1 648 . 1 1 60 60 GLN C C 13 172.98 . . 1 . . . A 60 GLN C . 18375 1 649 . 1 1 60 60 GLN CA C 13 56.72 . . 1 . . . A 60 GLN CA . 18375 1 650 . 1 1 60 60 GLN CB C 13 30.95 . . 1 . . . A 60 GLN CB . 18375 1 651 . 1 1 60 60 GLN CG C 13 35.01 . . 1 . . . A 60 GLN CG . 18375 1 652 . 1 1 60 60 GLN N N 15 129.18 . . 1 . . . A 60 GLN N . 18375 1 653 . 1 1 60 60 GLN NE2 N 15 106.39 . . 1 . . . A 60 GLN NE2 . 18375 1 654 . 1 1 61 61 SER H H 1 8.80 . . 1 . . . A 61 SER H . 18375 1 655 . 1 1 61 61 SER HA H 1 4.94 . . 1 . . . A 61 SER HA . 18375 1 656 . 1 1 61 61 SER HB2 H 1 3.94 . . 2 . . . A 61 SER HB2 . 18375 1 657 . 1 1 61 61 SER HB3 H 1 3.73 . . 2 . . . A 61 SER HB3 . 18375 1 658 . 1 1 61 61 SER C C 13 174.37 . . 1 . . . A 61 SER C . 18375 1 659 . 1 1 61 61 SER CA C 13 56.57 . . 1 . . . A 61 SER CA . 18375 1 660 . 1 1 61 61 SER CB C 13 67.13 . . 1 . . . A 61 SER CB . 18375 1 661 . 1 1 61 61 SER N N 15 118.55 . . 1 . . . A 61 SER N . 18375 1 662 . 1 1 62 62 SER H H 1 8.90 . . 1 . . . A 62 SER H . 18375 1 663 . 1 1 62 62 SER HA H 1 4.54 . . 1 . . . A 62 SER HA . 18375 1 664 . 1 1 62 62 SER HB2 H 1 4.16 . . 2 . . . A 62 SER HB2 . 18375 1 665 . 1 1 62 62 SER HB3 H 1 4.00 . . 2 . . . A 62 SER HB3 . 18375 1 666 . 1 1 62 62 SER C C 13 173.56 . . 1 . . . A 62 SER C . 18375 1 667 . 1 1 62 62 SER CA C 13 59.27 . . 1 . . . A 62 SER CA . 18375 1 668 . 1 1 62 62 SER CB C 13 64.39 . . 1 . . . A 62 SER CB . 18375 1 669 . 1 1 62 62 SER N N 15 120.91 . . 1 . . . A 62 SER N . 18375 1 670 . 1 1 63 63 GLU H H 1 8.04 . . 1 . . . A 63 GLU H . 18375 1 671 . 1 1 63 63 GLU HA H 1 4.22 . . 1 . . . A 63 GLU HA . 18375 1 672 . 1 1 63 63 GLU HB2 H 1 2.00 . . 1 . . . A 63 GLU HB2 . 18375 1 673 . 1 1 63 63 GLU HB3 H 1 2.00 . . 1 . . . A 63 GLU HB3 . 18375 1 674 . 1 1 63 63 GLU HG2 H 1 2.19 . . 1 . . . A 63 GLU HG2 . 18375 1 675 . 1 1 63 63 GLU HG3 H 1 2.19 . . 1 . . . A 63 GLU HG3 . 18375 1 676 . 1 1 63 63 GLU C C 13 176.03 . . 1 . . . A 63 GLU C . 18375 1 677 . 1 1 63 63 GLU CA C 13 57.84 . . 1 . . . A 63 GLU CA . 18375 1 678 . 1 1 63 63 GLU CB C 13 32.17 . . 1 . . . A 63 GLU CB . 18375 1 679 . 1 1 63 63 GLU N N 15 121.81 . . 1 . . . A 63 GLU N . 18375 1 680 . 1 1 64 64 GLY H H 1 8.20 . . 1 . . . A 64 GLY H . 18375 1 681 . 1 1 64 64 GLY HA2 H 1 3.79 . . 2 . . . A 64 GLY HA2 . 18375 1 682 . 1 1 64 64 GLY HA3 H 1 4.39 . . 2 . . . A 64 GLY HA3 . 18375 1 683 . 1 1 64 64 GLY CA C 13 45.49 . . 1 . . . A 64 GLY CA . 18375 1 684 . 1 1 64 64 GLY N N 15 107.90 . . 1 . . . A 64 GLY N . 18375 1 685 . 1 1 65 65 PRO HA H 1 4.04 . . 1 . . . A 65 PRO HA . 18375 1 686 . 1 1 65 65 PRO HB2 H 1 1.90 . . 2 . . . A 65 PRO HB2 . 18375 1 687 . 1 1 65 65 PRO HB3 H 1 0.96 . . 2 . . . A 65 PRO HB3 . 18375 1 688 . 1 1 65 65 PRO HG2 H 1 1.87 . . 2 . . . A 65 PRO HG2 . 18375 1 689 . 1 1 65 65 PRO HG3 H 1 1.83 . . 2 . . . A 65 PRO HG3 . 18375 1 690 . 1 1 65 65 PRO HD2 H 1 3.71 . . 2 . . . A 65 PRO HD2 . 18375 1 691 . 1 1 65 65 PRO HD3 H 1 3.42 . . 2 . . . A 65 PRO HD3 . 18375 1 692 . 1 1 65 65 PRO C C 13 177.87 . . 1 . . . A 65 PRO C . 18375 1 693 . 1 1 65 65 PRO CA C 13 65.61 . . 1 . . . A 65 PRO CA . 18375 1 694 . 1 1 65 65 PRO CB C 13 32.16 . . 1 . . . A 65 PRO CB . 18375 1 695 . 1 1 65 65 PRO CG C 13 28.33 . . 1 . . . A 65 PRO CG . 18375 1 696 . 1 1 65 65 PRO CD C 13 50.12 . . 1 . . . A 65 PRO CD . 18375 1 697 . 1 1 66 66 PHE H H 1 8.49 . . 1 . . . A 66 PHE H . 18375 1 698 . 1 1 66 66 PHE HA H 1 4.92 . . 1 . . . A 66 PHE HA . 18375 1 699 . 1 1 66 66 PHE HB2 H 1 3.51 . . 2 . . . A 66 PHE HB2 . 18375 1 700 . 1 1 66 66 PHE HB3 H 1 2.92 . . 2 . . . A 66 PHE HB3 . 18375 1 701 . 1 1 66 66 PHE HD1 H 1 7.29 . . 1 . . . A 66 PHE HD1 . 18375 1 702 . 1 1 66 66 PHE HD2 H 1 7.29 . . 1 . . . A 66 PHE HD2 . 18375 1 703 . 1 1 66 66 PHE HE1 H 1 7.38 . . 1 . . . A 66 PHE HE1 . 18375 1 704 . 1 1 66 66 PHE HE2 H 1 7.38 . . 1 . . . A 66 PHE HE2 . 18375 1 705 . 1 1 66 66 PHE C C 13 176.19 . . 1 . . . A 66 PHE C . 18375 1 706 . 1 1 66 66 PHE CA C 13 57.42 . . 1 . . . A 66 PHE CA . 18375 1 707 . 1 1 66 66 PHE CB C 13 42.36 . . 1 . . . A 66 PHE CB . 18375 1 708 . 1 1 66 66 PHE CD1 C 13 133.20 . . 1 . . . A 66 PHE CD1 . 18375 1 709 . 1 1 66 66 PHE CD2 C 13 133.20 . . 1 . . . A 66 PHE CD2 . 18375 1 710 . 1 1 66 66 PHE CE1 C 13 132.22 . . 1 . . . A 66 PHE CE1 . 18375 1 711 . 1 1 66 66 PHE CE2 C 13 132.22 . . 1 . . . A 66 PHE CE2 . 18375 1 712 . 1 1 66 66 PHE N N 15 112.97 . . 1 . . . A 66 PHE N . 18375 1 713 . 1 1 67 67 GLY H H 1 6.94 . . 1 . . . A 67 GLY H . 18375 1 714 . 1 1 67 67 GLY HA2 H 1 4.03 . . 2 . . . A 67 GLY HA2 . 18375 1 715 . 1 1 67 67 GLY HA3 H 1 4.20 . . 2 . . . A 67 GLY HA3 . 18375 1 716 . 1 1 67 67 GLY C C 13 172.48 . . 1 . . . A 67 GLY C . 18375 1 717 . 1 1 67 67 GLY CA C 13 46.86 . . 1 . . . A 67 GLY CA . 18375 1 718 . 1 1 67 67 GLY N N 15 106.37 . . 1 . . . A 67 GLY N . 18375 1 719 . 1 1 68 68 HIS H H 1 8.59 . . 1 . . . A 68 HIS H . 18375 1 720 . 1 1 68 68 HIS HA H 1 5.02 . . 1 . . . A 68 HIS HA . 18375 1 721 . 1 1 68 68 HIS HB2 H 1 3.18 . . 2 . . . A 68 HIS HB2 . 18375 1 722 . 1 1 68 68 HIS HB3 H 1 2.51 . . 2 . . . A 68 HIS HB3 . 18375 1 723 . 1 1 68 68 HIS HD2 H 1 6.08 . . 1 . . . A 68 HIS HD2 . 18375 1 724 . 1 1 68 68 HIS C C 13 173.79 . . 1 . . . A 68 HIS C . 18375 1 725 . 1 1 68 68 HIS CA C 13 58.23 . . 1 . . . A 68 HIS CA . 18375 1 726 . 1 1 68 68 HIS CB C 13 36.12 . . 1 . . . A 68 HIS CB . 18375 1 727 . 1 1 68 68 HIS CD2 C 13 117.27 . . 1 . . . A 68 HIS CD2 . 18375 1 728 . 1 1 68 68 HIS N N 15 117.82 . . 1 . . . A 68 HIS N . 18375 1 729 . 1 1 69 69 VAL H H 1 6.04 . . 1 . . . A 69 VAL H . 18375 1 730 . 1 1 69 69 VAL HA H 1 5.32 . . 1 . . . A 69 VAL HA . 18375 1 731 . 1 1 69 69 VAL HB H 1 1.67 . . 1 . . . A 69 VAL HB . 18375 1 732 . 1 1 69 69 VAL HG11 H 1 0.60 . . 1 . . . A 69 VAL HG11 . 18375 1 733 . 1 1 69 69 VAL HG12 H 1 0.60 . . 1 . . . A 69 VAL HG12 . 18375 1 734 . 1 1 69 69 VAL HG13 H 1 0.60 . . 1 . . . A 69 VAL HG13 . 18375 1 735 . 1 1 69 69 VAL HG21 H 1 -0.19 . . 1 . . . A 69 VAL HG21 . 18375 1 736 . 1 1 69 69 VAL HG22 H 1 -0.19 . . 1 . . . A 69 VAL HG22 . 18375 1 737 . 1 1 69 69 VAL HG23 H 1 -0.19 . . 1 . . . A 69 VAL HG23 . 18375 1 738 . 1 1 69 69 VAL C C 13 173.06 . . 1 . . . A 69 VAL C . 18375 1 739 . 1 1 69 69 VAL CA C 13 58.94 . . 1 . . . A 69 VAL CA . 18375 1 740 . 1 1 69 69 VAL CB C 13 37.70 . . 1 . . . A 69 VAL CB . 18375 1 741 . 1 1 69 69 VAL CG1 C 13 23.53 . . 2 . . . A 69 VAL CG1 . 18375 1 742 . 1 1 69 69 VAL CG2 C 13 18.78 . . 2 . . . A 69 VAL CG2 . 18375 1 743 . 1 1 69 69 VAL N N 15 116.83 . . 1 . . . A 69 VAL N . 18375 1 744 . 1 1 70 70 ALA H H 1 8.89 . . 1 . . . A 70 ALA H . 18375 1 745 . 1 1 70 70 ALA HA H 1 4.51 . . 1 . . . A 70 ALA HA . 18375 1 746 . 1 1 70 70 ALA HB1 H 1 1.34 . . 1 . . . A 70 ALA HB1 . 18375 1 747 . 1 1 70 70 ALA HB2 H 1 1.34 . . 1 . . . A 70 ALA HB2 . 18375 1 748 . 1 1 70 70 ALA HB3 H 1 1.34 . . 1 . . . A 70 ALA HB3 . 18375 1 749 . 1 1 70 70 ALA C C 13 173.87 . . 1 . . . A 70 ALA C . 18375 1 750 . 1 1 70 70 ALA CA C 13 51.56 . . 1 . . . A 70 ALA CA . 18375 1 751 . 1 1 70 70 ALA CB C 13 26.39 . . 1 . . . A 70 ALA CB . 18375 1 752 . 1 1 70 70 ALA N N 15 120.82 . . 1 . . . A 70 ALA N . 18375 1 753 . 1 1 71 71 TYR H H 1 9.31 . . 1 . . . A 71 TYR H . 18375 1 754 . 1 1 71 71 TYR HA H 1 4.89 . . 1 . . . A 71 TYR HA . 18375 1 755 . 1 1 71 71 TYR HB2 H 1 3.22 . . 2 . . . A 71 TYR HB2 . 18375 1 756 . 1 1 71 71 TYR HB3 H 1 2.48 . . 2 . . . A 71 TYR HB3 . 18375 1 757 . 1 1 71 71 TYR HD1 H 1 6.73 . . 1 . . . A 71 TYR HD1 . 18375 1 758 . 1 1 71 71 TYR HD2 H 1 6.73 . . 1 . . . A 71 TYR HD2 . 18375 1 759 . 1 1 71 71 TYR HE1 H 1 6.66 . . 1 . . . A 71 TYR HE1 . 18375 1 760 . 1 1 71 71 TYR HE2 H 1 6.66 . . 1 . . . A 71 TYR HE2 . 18375 1 761 . 1 1 71 71 TYR C C 13 174.62 . . 1 . . . A 71 TYR C . 18375 1 762 . 1 1 71 71 TYR CA C 13 58.14 . . 1 . . . A 71 TYR CA . 18375 1 763 . 1 1 71 71 TYR CB C 13 42.85 . . 1 . . . A 71 TYR CB . 18375 1 764 . 1 1 71 71 TYR CD1 C 13 133.82 . . 1 . . . A 71 TYR CD1 . 18375 1 765 . 1 1 71 71 TYR CD2 C 13 133.82 . . 1 . . . A 71 TYR CD2 . 18375 1 766 . 1 1 71 71 TYR CE1 C 13 119.66 . . 1 . . . A 71 TYR CE1 . 18375 1 767 . 1 1 71 71 TYR CE2 C 13 119.66 . . 1 . . . A 71 TYR CE2 . 18375 1 768 . 1 1 71 71 TYR N N 15 121.64 . . 1 . . . A 71 TYR N . 18375 1 769 . 1 1 72 72 VAL H H 1 8.23 . . 1 . . . A 72 VAL H . 18375 1 770 . 1 1 72 72 VAL HA H 1 3.88 . . 1 . . . A 72 VAL HA . 18375 1 771 . 1 1 72 72 VAL HB H 1 2.21 . . 1 . . . A 72 VAL HB . 18375 1 772 . 1 1 72 72 VAL HG11 H 1 0.51 . . 1 . . . A 72 VAL HG11 . 18375 1 773 . 1 1 72 72 VAL HG12 H 1 0.51 . . 1 . . . A 72 VAL HG12 . 18375 1 774 . 1 1 72 72 VAL HG13 H 1 0.51 . . 1 . . . A 72 VAL HG13 . 18375 1 775 . 1 1 72 72 VAL HG21 H 1 0.82 . . 1 . . . A 72 VAL HG21 . 18375 1 776 . 1 1 72 72 VAL HG22 H 1 0.82 . . 1 . . . A 72 VAL HG22 . 18375 1 777 . 1 1 72 72 VAL HG23 H 1 0.82 . . 1 . . . A 72 VAL HG23 . 18375 1 778 . 1 1 72 72 VAL C C 13 174.25 . . 1 . . . A 72 VAL C . 18375 1 779 . 1 1 72 72 VAL CA C 13 64.97 . . 1 . . . A 72 VAL CA . 18375 1 780 . 1 1 72 72 VAL CB C 13 31.47 . . 1 . . . A 72 VAL CB . 18375 1 781 . 1 1 72 72 VAL CG1 C 13 24.51 . . 2 . . . A 72 VAL CG1 . 18375 1 782 . 1 1 72 72 VAL CG2 C 13 22.59 . . 2 . . . A 72 VAL CG2 . 18375 1 783 . 1 1 72 72 VAL N N 15 126.01 . . 1 . . . A 72 VAL N . 18375 1 784 . 1 1 73 73 GLU H H 1 8.82 . . 1 . . . A 73 GLU H . 18375 1 785 . 1 1 73 73 GLU HA H 1 4.25 . . 1 . . . A 73 GLU HA . 18375 1 786 . 1 1 73 73 GLU HB2 H 1 2.18 . . 2 . . . A 73 GLU HB2 . 18375 1 787 . 1 1 73 73 GLU HB3 H 1 1.52 . . 2 . . . A 73 GLU HB3 . 18375 1 788 . 1 1 73 73 GLU HG2 H 1 2.62 . . 2 . . . A 73 GLU HG2 . 18375 1 789 . 1 1 73 73 GLU HG3 H 1 2.51 . . 2 . . . A 73 GLU HG3 . 18375 1 790 . 1 1 73 73 GLU C C 13 178.02 . . 1 . . . A 73 GLU C . 18375 1 791 . 1 1 73 73 GLU CA C 13 58.40 . . 1 . . . A 73 GLU CA . 18375 1 792 . 1 1 73 73 GLU CB C 13 31.05 . . 1 . . . A 73 GLU CB . 18375 1 793 . 1 1 73 73 GLU CG C 13 35.24 . . 1 . . . A 73 GLU CG . 18375 1 794 . 1 1 73 73 GLU N N 15 130.72 . . 1 . . . A 73 GLU N . 18375 1 795 . 1 1 74 74 SER H H 1 7.90 . . 1 . . . A 74 SER H . 18375 1 796 . 1 1 74 74 SER HA H 1 4.33 . . 1 . . . A 74 SER HA . 18375 1 797 . 1 1 74 74 SER HB2 H 1 3.82 . . 2 . . . A 74 SER HB2 . 18375 1 798 . 1 1 74 74 SER HB3 H 1 3.71 . . 2 . . . A 74 SER HB3 . 18375 1 799 . 1 1 74 74 SER C C 13 172.03 . . 1 . . . A 74 SER C . 18375 1 800 . 1 1 74 74 SER CA C 13 59.22 . . 1 . . . A 74 SER CA . 18375 1 801 . 1 1 74 74 SER CB C 13 65.62 . . 1 . . . A 74 SER CB . 18375 1 802 . 1 1 74 74 SER N N 15 107.89 . . 1 . . . A 74 SER N . 18375 1 803 . 1 1 75 75 VAL H H 1 8.40 . . 1 . . . A 75 VAL H . 18375 1 804 . 1 1 75 75 VAL HA H 1 4.32 . . 1 . . . A 75 VAL HA . 18375 1 805 . 1 1 75 75 VAL HB H 1 1.86 . . 1 . . . A 75 VAL HB . 18375 1 806 . 1 1 75 75 VAL HG11 H 1 0.55 . . 1 . . . A 75 VAL HG11 . 18375 1 807 . 1 1 75 75 VAL HG12 H 1 0.55 . . 1 . . . A 75 VAL HG12 . 18375 1 808 . 1 1 75 75 VAL HG13 H 1 0.55 . . 1 . . . A 75 VAL HG13 . 18375 1 809 . 1 1 75 75 VAL HG21 H 1 0.81 . . 1 . . . A 75 VAL HG21 . 18375 1 810 . 1 1 75 75 VAL HG22 H 1 0.81 . . 1 . . . A 75 VAL HG22 . 18375 1 811 . 1 1 75 75 VAL HG23 H 1 0.81 . . 1 . . . A 75 VAL HG23 . 18375 1 812 . 1 1 75 75 VAL C C 13 176.27 . . 1 . . . A 75 VAL C . 18375 1 813 . 1 1 75 75 VAL CA C 13 63.38 . . 1 . . . A 75 VAL CA . 18375 1 814 . 1 1 75 75 VAL CB C 13 32.75 . . 1 . . . A 75 VAL CB . 18375 1 815 . 1 1 75 75 VAL CG1 C 13 22.23 . . 2 . . . A 75 VAL CG1 . 18375 1 816 . 1 1 75 75 VAL CG2 C 13 21.57 . . 2 . . . A 75 VAL CG2 . 18375 1 817 . 1 1 75 75 VAL N N 15 122.76 . . 1 . . . A 75 VAL N . 18375 1 818 . 1 1 76 76 ASN H H 1 9.08 . . 1 . . . A 76 ASN H . 18375 1 819 . 1 1 76 76 ASN HA H 1 4.79 . . 1 . . . A 76 ASN HA . 18375 1 820 . 1 1 76 76 ASN HB2 H 1 2.93 . . 2 . . . A 76 ASN HB2 . 18375 1 821 . 1 1 76 76 ASN HB3 H 1 2.79 . . 2 . . . A 76 ASN HB3 . 18375 1 822 . 1 1 76 76 ASN HD21 H 1 7.31 . . 2 . . . A 76 ASN HD21 . 18375 1 823 . 1 1 76 76 ASN HD22 H 1 7.66 . . 2 . . . A 76 ASN HD22 . 18375 1 824 . 1 1 76 76 ASN CA C 13 54.26 . . 1 . . . A 76 ASN CA . 18375 1 825 . 1 1 76 76 ASN CB C 13 39.96 . . 1 . . . A 76 ASN CB . 18375 1 826 . 1 1 76 76 ASN N N 15 125.27 . . 1 . . . A 76 ASN N . 18375 1 827 . 1 1 76 76 ASN ND2 N 15 117.29 . . 1 . . . A 76 ASN ND2 . 18375 1 828 . 1 1 77 77 SER HA H 1 4.13 . . 1 . . . A 77 SER HA . 18375 1 829 . 1 1 77 77 SER HB2 H 1 3.95 . . 1 . . . A 77 SER HB2 . 18375 1 830 . 1 1 77 77 SER HB3 H 1 3.95 . . 1 . . . A 77 SER HB3 . 18375 1 831 . 1 1 77 77 SER C C 13 174.41 . . 1 . . . A 77 SER C . 18375 1 832 . 1 1 77 77 SER CA C 13 62.67 . . 1 . . . A 77 SER CA . 18375 1 833 . 1 1 77 77 SER CB C 13 63.60 . . 1 . . . A 77 SER CB . 18375 1 834 . 1 1 78 78 ASP H H 1 7.98 . . 1 . . . A 78 ASP H . 18375 1 835 . 1 1 78 78 ASP HA H 1 4.58 . . 1 . . . A 78 ASP HA . 18375 1 836 . 1 1 78 78 ASP HB2 H 1 3.06 . . 2 . . . A 78 ASP HB2 . 18375 1 837 . 1 1 78 78 ASP HB3 H 1 2.61 . . 2 . . . A 78 ASP HB3 . 18375 1 838 . 1 1 78 78 ASP C C 13 176.79 . . 1 . . . A 78 ASP C . 18375 1 839 . 1 1 78 78 ASP CA C 13 53.96 . . 1 . . . A 78 ASP CA . 18375 1 840 . 1 1 78 78 ASP CB C 13 40.88 . . 1 . . . A 78 ASP CB . 18375 1 841 . 1 1 78 78 ASP N N 15 118.59 . . 1 . . . A 78 ASP N . 18375 1 842 . 1 1 79 79 GLY H H 1 8.18 . . 1 . . . A 79 GLY H . 18375 1 843 . 1 1 79 79 GLY HA2 H 1 3.49 . . 2 . . . A 79 GLY HA2 . 18375 1 844 . 1 1 79 79 GLY HA3 H 1 4.26 . . 2 . . . A 79 GLY HA3 . 18375 1 845 . 1 1 79 79 GLY C C 13 173.47 . . 1 . . . A 79 GLY C . 18375 1 846 . 1 1 79 79 GLY CA C 13 46.05 . . 1 . . . A 79 GLY CA . 18375 1 847 . 1 1 79 79 GLY N N 15 109.22 . . 1 . . . A 79 GLY N . 18375 1 848 . 1 1 80 80 SER H H 1 7.93 . . 1 . . . A 80 SER H . 18375 1 849 . 1 1 80 80 SER HA H 1 4.35 . . 1 . . . A 80 SER HA . 18375 1 850 . 1 1 80 80 SER HB2 H 1 3.98 . . 1 . . . A 80 SER HB2 . 18375 1 851 . 1 1 80 80 SER HB3 H 1 3.98 . . 1 . . . A 80 SER HB3 . 18375 1 852 . 1 1 80 80 SER C C 13 172.63 . . 1 . . . A 80 SER C . 18375 1 853 . 1 1 80 80 SER CA C 13 59.58 . . 1 . . . A 80 SER CA . 18375 1 854 . 1 1 80 80 SER CB C 13 65.71 . . 1 . . . A 80 SER CB . 18375 1 855 . 1 1 80 80 SER N N 15 114.20 . . 1 . . . A 80 SER N . 18375 1 856 . 1 1 81 81 VAL H H 1 8.82 . . 1 . . . A 81 VAL H . 18375 1 857 . 1 1 81 81 VAL HA H 1 4.69 . . 1 . . . A 81 VAL HA . 18375 1 858 . 1 1 81 81 VAL HB H 1 1.85 . . 1 . . . A 81 VAL HB . 18375 1 859 . 1 1 81 81 VAL HG11 H 1 0.86 . . 1 . . . A 81 VAL HG11 . 18375 1 860 . 1 1 81 81 VAL HG12 H 1 0.86 . . 1 . . . A 81 VAL HG12 . 18375 1 861 . 1 1 81 81 VAL HG13 H 1 0.86 . . 1 . . . A 81 VAL HG13 . 18375 1 862 . 1 1 81 81 VAL C C 13 175.22 . . 1 . . . A 81 VAL C . 18375 1 863 . 1 1 81 81 VAL CA C 13 61.98 . . 1 . . . A 81 VAL CA . 18375 1 864 . 1 1 81 81 VAL CB C 13 36.81 . . 1 . . . A 81 VAL CB . 18375 1 865 . 1 1 81 81 VAL CG1 C 13 23.60 . . 1 . . . A 81 VAL CG1 . 18375 1 866 . 1 1 81 81 VAL CG2 C 13 23.60 . . 1 . . . A 81 VAL CG2 . 18375 1 867 . 1 1 81 81 VAL N N 15 118.06 . . 1 . . . A 81 VAL N . 18375 1 868 . 1 1 82 82 THR H H 1 9.02 . . 1 . . . A 82 THR H . 18375 1 869 . 1 1 82 82 THR HA H 1 5.19 . . 1 . . . A 82 THR HA . 18375 1 870 . 1 1 82 82 THR HB H 1 4.12 . . 1 . . . A 82 THR HB . 18375 1 871 . 1 1 82 82 THR HG21 H 1 1.12 . . 1 . . . A 82 THR HG21 . 18375 1 872 . 1 1 82 82 THR HG22 H 1 1.12 . . 1 . . . A 82 THR HG22 . 18375 1 873 . 1 1 82 82 THR HG23 H 1 1.12 . . 1 . . . A 82 THR HG23 . 18375 1 874 . 1 1 82 82 THR C C 13 174.15 . . 1 . . . A 82 THR C . 18375 1 875 . 1 1 82 82 THR CA C 13 63.44 . . 1 . . . A 82 THR CA . 18375 1 876 . 1 1 82 82 THR CB C 13 70.52 . . 1 . . . A 82 THR CB . 18375 1 877 . 1 1 82 82 THR CG2 C 13 23.02 . . 1 . . . A 82 THR CG2 . 18375 1 878 . 1 1 82 82 THR N N 15 125.17 . . 1 . . . A 82 THR N . 18375 1 879 . 1 1 83 83 ILE H H 1 9.28 . . 1 . . . A 83 ILE H . 18375 1 880 . 1 1 83 83 ILE HA H 1 5.64 . . 1 . . . A 83 ILE HA . 18375 1 881 . 1 1 83 83 ILE HB H 1 1.81 . . 1 . . . A 83 ILE HB . 18375 1 882 . 1 1 83 83 ILE HG12 H 1 0.96 . . 2 . . . A 83 ILE HG12 . 18375 1 883 . 1 1 83 83 ILE HG13 H 1 1.20 . . 2 . . . A 83 ILE HG13 . 18375 1 884 . 1 1 83 83 ILE HG21 H 1 0.74 . . 1 . . . A 83 ILE HG21 . 18375 1 885 . 1 1 83 83 ILE HG22 H 1 0.74 . . 1 . . . A 83 ILE HG22 . 18375 1 886 . 1 1 83 83 ILE HG23 H 1 0.74 . . 1 . . . A 83 ILE HG23 . 18375 1 887 . 1 1 83 83 ILE HD11 H 1 0.43 . . 1 . . . A 83 ILE HD11 . 18375 1 888 . 1 1 83 83 ILE HD12 H 1 0.43 . . 1 . . . A 83 ILE HD12 . 18375 1 889 . 1 1 83 83 ILE HD13 H 1 0.43 . . 1 . . . A 83 ILE HD13 . 18375 1 890 . 1 1 83 83 ILE C C 13 175.03 . . 1 . . . A 83 ILE C . 18375 1 891 . 1 1 83 83 ILE CA C 13 59.44 . . 1 . . . A 83 ILE CA . 18375 1 892 . 1 1 83 83 ILE CB C 13 42.17 . . 1 . . . A 83 ILE CB . 18375 1 893 . 1 1 83 83 ILE CG1 C 13 26.44 . . 1 . . . A 83 ILE CG1 . 18375 1 894 . 1 1 83 83 ILE CG2 C 13 19.91 . . 1 . . . A 83 ILE CG2 . 18375 1 895 . 1 1 83 83 ILE CD1 C 13 14.41 . . 1 . . . A 83 ILE CD1 . 18375 1 896 . 1 1 83 83 ILE N N 15 120.97 . . 1 . . . A 83 ILE N . 18375 1 897 . 1 1 84 84 SER H H 1 9.60 . . 1 . . . A 84 SER H . 18375 1 898 . 1 1 84 84 SER HA H 1 5.59 . . 1 . . . A 84 SER HA . 18375 1 899 . 1 1 84 84 SER HB2 H 1 4.12 . . 2 . . . A 84 SER HB2 . 18375 1 900 . 1 1 84 84 SER HB3 H 1 3.99 . . 2 . . . A 84 SER HB3 . 18375 1 901 . 1 1 84 84 SER C C 13 173.13 . . 1 . . . A 84 SER C . 18375 1 902 . 1 1 84 84 SER CA C 13 58.05 . . 1 . . . A 84 SER CA . 18375 1 903 . 1 1 84 84 SER CB C 13 67.14 . . 1 . . . A 84 SER CB . 18375 1 904 . 1 1 84 84 SER N N 15 115.43 . . 1 . . . A 84 SER N . 18375 1 905 . 1 1 85 85 GLU H H 1 8.80 . . 1 . . . A 85 GLU H . 18375 1 906 . 1 1 85 85 GLU HA H 1 5.18 . . 1 . . . A 85 GLU HA . 18375 1 907 . 1 1 85 85 GLU HB2 H 1 2.31 . . 2 . . . A 85 GLU HB2 . 18375 1 908 . 1 1 85 85 GLU HB3 H 1 1.81 . . 2 . . . A 85 GLU HB3 . 18375 1 909 . 1 1 85 85 GLU HG2 H 1 2.14 . . 2 . . . A 85 GLU HG2 . 18375 1 910 . 1 1 85 85 GLU HG3 H 1 2.02 . . 2 . . . A 85 GLU HG3 . 18375 1 911 . 1 1 85 85 GLU C C 13 171.78 . . 1 . . . A 85 GLU C . 18375 1 912 . 1 1 85 85 GLU CA C 13 54.88 . . 1 . . . A 85 GLU CA . 18375 1 913 . 1 1 85 85 GLU CB C 13 33.54 . . 1 . . . A 85 GLU CB . 18375 1 914 . 1 1 85 85 GLU CG C 13 33.38 . . 1 . . . A 85 GLU CG . 18375 1 915 . 1 1 85 85 GLU N N 15 117.66 . . 1 . . . A 85 GLU N . 18375 1 916 . 1 1 86 86 MET H H 1 8.49 . . 1 . . . A 86 MET H . 18375 1 917 . 1 1 86 86 MET HA H 1 5.25 . . 1 . . . A 86 MET HA . 18375 1 918 . 1 1 86 86 MET HB2 H 1 1.63 . . 2 . . . A 86 MET HB2 . 18375 1 919 . 1 1 86 86 MET HB3 H 1 1.37 . . 2 . . . A 86 MET HB3 . 18375 1 920 . 1 1 86 86 MET HG2 H 1 2.23 . . 2 . . . A 86 MET HG2 . 18375 1 921 . 1 1 86 86 MET HG3 H 1 2.08 . . 2 . . . A 86 MET HG3 . 18375 1 922 . 1 1 86 86 MET HE1 H 1 2.22 . . 1 . . . A 86 MET HE1 . 18375 1 923 . 1 1 86 86 MET HE2 H 1 2.22 . . 1 . . . A 86 MET HE2 . 18375 1 924 . 1 1 86 86 MET HE3 H 1 2.22 . . 1 . . . A 86 MET HE3 . 18375 1 925 . 1 1 86 86 MET C C 13 175.01 . . 1 . . . A 86 MET C . 18375 1 926 . 1 1 86 86 MET CA C 13 53.88 . . 1 . . . A 86 MET CA . 18375 1 927 . 1 1 86 86 MET CB C 13 38.24 . . 1 . . . A 86 MET CB . 18375 1 928 . 1 1 86 86 MET CG C 13 33.33 . . 1 . . . A 86 MET CG . 18375 1 929 . 1 1 86 86 MET CE C 13 19.30 . . 1 . . . A 86 MET CE . 18375 1 930 . 1 1 86 86 MET N N 15 118.95 . . 1 . . . A 86 MET N . 18375 1 931 . 1 1 87 87 ASN H H 1 8.25 . . 1 . . . A 87 ASN H . 18375 1 932 . 1 1 87 87 ASN HA H 1 4.19 . . 1 . . . A 87 ASN HA . 18375 1 933 . 1 1 87 87 ASN HB2 H 1 3.53 . . 2 . . . A 87 ASN HB2 . 18375 1 934 . 1 1 87 87 ASN HB3 H 1 2.44 . . 2 . . . A 87 ASN HB3 . 18375 1 935 . 1 1 87 87 ASN HD21 H 1 6.76 . . 2 . . . A 87 ASN HD21 . 18375 1 936 . 1 1 87 87 ASN HD22 H 1 7.56 . . 2 . . . A 87 ASN HD22 . 18375 1 937 . 1 1 87 87 ASN C C 13 174.81 . . 1 . . . A 87 ASN C . 18375 1 938 . 1 1 87 87 ASN CA C 13 54.52 . . 1 . . . A 87 ASN CA . 18375 1 939 . 1 1 87 87 ASN CB C 13 39.33 . . 1 . . . A 87 ASN CB . 18375 1 940 . 1 1 87 87 ASN N N 15 116.67 . . 1 . . . A 87 ASN N . 18375 1 941 . 1 1 87 87 ASN ND2 N 15 108.44 . . 1 . . . A 87 ASN ND2 . 18375 1 942 . 1 1 88 88 TYR H H 1 8.94 . . 1 . . . A 88 TYR H . 18375 1 943 . 1 1 88 88 TYR HA H 1 4.29 . . 1 . . . A 88 TYR HA . 18375 1 944 . 1 1 88 88 TYR HB2 H 1 2.52 . . 2 . . . A 88 TYR HB2 . 18375 1 945 . 1 1 88 88 TYR HB3 H 1 2.43 . . 2 . . . A 88 TYR HB3 . 18375 1 946 . 1 1 88 88 TYR HD1 H 1 6.20 . . 1 . . . A 88 TYR HD1 . 18375 1 947 . 1 1 88 88 TYR HD2 H 1 6.20 . . 1 . . . A 88 TYR HD2 . 18375 1 948 . 1 1 88 88 TYR HE1 H 1 6.40 . . 1 . . . A 88 TYR HE1 . 18375 1 949 . 1 1 88 88 TYR HE2 H 1 6.40 . . 1 . . . A 88 TYR HE2 . 18375 1 950 . 1 1 88 88 TYR C C 13 175.62 . . 1 . . . A 88 TYR C . 18375 1 951 . 1 1 88 88 TYR CA C 13 60.72 . . 1 . . . A 88 TYR CA . 18375 1 952 . 1 1 88 88 TYR CB C 13 41.43 . . 1 . . . A 88 TYR CB . 18375 1 953 . 1 1 88 88 TYR CD1 C 13 133.47 . . 1 . . . A 88 TYR CD1 . 18375 1 954 . 1 1 88 88 TYR CD2 C 13 133.47 . . 1 . . . A 88 TYR CD2 . 18375 1 955 . 1 1 88 88 TYR CE1 C 13 118.11 . . 1 . . . A 88 TYR CE1 . 18375 1 956 . 1 1 88 88 TYR CE2 C 13 118.11 . . 1 . . . A 88 TYR CE2 . 18375 1 957 . 1 1 88 88 TYR N N 15 119.60 . . 1 . . . A 88 TYR N . 18375 1 958 . 1 1 89 89 SER H H 1 8.06 . . 1 . . . A 89 SER H . 18375 1 959 . 1 1 89 89 SER HA H 1 4.32 . . 1 . . . A 89 SER HA . 18375 1 960 . 1 1 89 89 SER HB2 H 1 3.69 . . 1 . . . A 89 SER HB2 . 18375 1 961 . 1 1 89 89 SER HB3 H 1 3.69 . . 1 . . . A 89 SER HB3 . 18375 1 962 . 1 1 89 89 SER C C 13 174.86 . . 1 . . . A 89 SER C . 18375 1 963 . 1 1 89 89 SER CA C 13 58.69 . . 1 . . . A 89 SER CA . 18375 1 964 . 1 1 89 89 SER CB C 13 65.14 . . 1 . . . A 89 SER CB . 18375 1 965 . 1 1 89 89 SER N N 15 113.12 . . 1 . . . A 89 SER N . 18375 1 966 . 1 1 90 90 GLY H H 1 8.18 . . 1 . . . A 90 GLY H . 18375 1 967 . 1 1 90 90 GLY HA2 H 1 4.03 . . 1 . . . A 90 GLY HA2 . 18375 1 968 . 1 1 90 90 GLY HA3 H 1 4.03 . . 1 . . . A 90 GLY HA3 . 18375 1 969 . 1 1 90 90 GLY C C 13 174.68 . . 1 . . . A 90 GLY C . 18375 1 970 . 1 1 90 90 GLY CA C 13 45.95 . . 1 . . . A 90 GLY CA . 18375 1 971 . 1 1 90 90 GLY N N 15 110.45 . . 1 . . . A 90 GLY N . 18375 1 972 . 1 1 91 91 GLY H H 1 8.33 . . 1 . . . A 91 GLY H . 18375 1 973 . 1 1 91 91 GLY HA2 H 1 4.00 . . 2 . . . A 91 GLY HA2 . 18375 1 974 . 1 1 91 91 GLY HA3 H 1 4.11 . . 2 . . . A 91 GLY HA3 . 18375 1 975 . 1 1 91 91 GLY CA C 13 45.88 . . 1 . . . A 91 GLY CA . 18375 1 976 . 1 1 91 91 GLY N N 15 108.71 . . 1 . . . A 91 GLY N . 18375 1 977 . 1 1 92 92 PRO HA H 1 4.04 . . 1 . . . A 92 PRO HA . 18375 1 978 . 1 1 92 92 PRO HB2 H 1 1.99 . . 2 . . . A 92 PRO HB2 . 18375 1 979 . 1 1 92 92 PRO HB3 H 1 1.80 . . 2 . . . A 92 PRO HB3 . 18375 1 980 . 1 1 92 92 PRO HG2 H 1 2.09 . . 2 . . . A 92 PRO HG2 . 18375 1 981 . 1 1 92 92 PRO HG3 H 1 1.77 . . 2 . . . A 92 PRO HG3 . 18375 1 982 . 1 1 92 92 PRO HD2 H 1 3.55 . . 1 . . . A 92 PRO HD2 . 18375 1 983 . 1 1 92 92 PRO HD3 H 1 3.55 . . 1 . . . A 92 PRO HD3 . 18375 1 984 . 1 1 92 92 PRO C C 13 177.93 . . 1 . . . A 92 PRO C . 18375 1 985 . 1 1 92 92 PRO CA C 13 64.71 . . 1 . . . A 92 PRO CA . 18375 1 986 . 1 1 92 92 PRO CB C 13 32.69 . . 1 . . . A 92 PRO CB . 18375 1 987 . 1 1 92 92 PRO CG C 13 28.91 . . 1 . . . A 92 PRO CG . 18375 1 988 . 1 1 92 92 PRO CD C 13 50.66 . . 1 . . . A 92 PRO CD . 18375 1 989 . 1 1 93 93 PHE H H 1 8.35 . . 1 . . . A 93 PHE H . 18375 1 990 . 1 1 93 93 PHE HA H 1 4.48 . . 1 . . . A 93 PHE HA . 18375 1 991 . 1 1 93 93 PHE HB2 H 1 3.62 . . 2 . . . A 93 PHE HB2 . 18375 1 992 . 1 1 93 93 PHE HB3 H 1 3.37 . . 2 . . . A 93 PHE HB3 . 18375 1 993 . 1 1 93 93 PHE HD1 H 1 7.15 . . 1 . . . A 93 PHE HD1 . 18375 1 994 . 1 1 93 93 PHE HD2 H 1 7.15 . . 1 . . . A 93 PHE HD2 . 18375 1 995 . 1 1 93 93 PHE HE1 H 1 6.94 . . 1 . . . A 93 PHE HE1 . 18375 1 996 . 1 1 93 93 PHE HE2 H 1 6.94 . . 1 . . . A 93 PHE HE2 . 18375 1 997 . 1 1 93 93 PHE C C 13 174.49 . . 1 . . . A 93 PHE C . 18375 1 998 . 1 1 93 93 PHE CA C 13 62.89 . . 1 . . . A 93 PHE CA . 18375 1 999 . 1 1 93 93 PHE CB C 13 37.41 . . 1 . . . A 93 PHE CB . 18375 1 1000 . 1 1 93 93 PHE CD1 C 13 132.83 . . 1 . . . A 93 PHE CD1 . 18375 1 1001 . 1 1 93 93 PHE CD2 C 13 132.83 . . 1 . . . A 93 PHE CD2 . 18375 1 1002 . 1 1 93 93 PHE CE1 C 13 132.38 . . 1 . . . A 93 PHE CE1 . 18375 1 1003 . 1 1 93 93 PHE CE2 C 13 132.38 . . 1 . . . A 93 PHE CE2 . 18375 1 1004 . 1 1 93 93 PHE N N 15 113.22 . . 1 . . . A 93 PHE N . 18375 1 1005 . 1 1 94 94 SER H H 1 7.98 . . 1 . . . A 94 SER H . 18375 1 1006 . 1 1 94 94 SER HA H 1 4.62 . . 1 . . . A 94 SER HA . 18375 1 1007 . 1 1 94 94 SER HB2 H 1 4.08 . . 2 . . . A 94 SER HB2 . 18375 1 1008 . 1 1 94 94 SER HB3 H 1 3.74 . . 2 . . . A 94 SER HB3 . 18375 1 1009 . 1 1 94 94 SER C C 13 174.29 . . 1 . . . A 94 SER C . 18375 1 1010 . 1 1 94 94 SER CA C 13 59.15 . . 1 . . . A 94 SER CA . 18375 1 1011 . 1 1 94 94 SER CB C 13 64.69 . . 1 . . . A 94 SER CB . 18375 1 1012 . 1 1 94 94 SER N N 15 115.68 . . 1 . . . A 94 SER N . 18375 1 1013 . 1 1 95 95 VAL H H 1 8.84 . . 1 . . . A 95 VAL H . 18375 1 1014 . 1 1 95 95 VAL HA H 1 4.83 . . 1 . . . A 95 VAL HA . 18375 1 1015 . 1 1 95 95 VAL HB H 1 1.89 . . 1 . . . A 95 VAL HB . 18375 1 1016 . 1 1 95 95 VAL HG11 H 1 0.79 . . 1 . . . A 95 VAL HG11 . 18375 1 1017 . 1 1 95 95 VAL HG12 H 1 0.79 . . 1 . . . A 95 VAL HG12 . 18375 1 1018 . 1 1 95 95 VAL HG13 H 1 0.79 . . 1 . . . A 95 VAL HG13 . 18375 1 1019 . 1 1 95 95 VAL HG21 H 1 0.84 . . 1 . . . A 95 VAL HG21 . 18375 1 1020 . 1 1 95 95 VAL HG22 H 1 0.84 . . 1 . . . A 95 VAL HG22 . 18375 1 1021 . 1 1 95 95 VAL HG23 H 1 0.84 . . 1 . . . A 95 VAL HG23 . 18375 1 1022 . 1 1 95 95 VAL C C 13 175.77 . . 1 . . . A 95 VAL C . 18375 1 1023 . 1 1 95 95 VAL CA C 13 62.52 . . 1 . . . A 95 VAL CA . 18375 1 1024 . 1 1 95 95 VAL CB C 13 34.01 . . 1 . . . A 95 VAL CB . 18375 1 1025 . 1 1 95 95 VAL CG1 C 13 24.09 . . 2 . . . A 95 VAL CG1 . 18375 1 1026 . 1 1 95 95 VAL CG2 C 13 21.93 . . 2 . . . A 95 VAL CG2 . 18375 1 1027 . 1 1 95 95 VAL N N 15 130.55 . . 1 . . . A 95 VAL N . 18375 1 1028 . 1 1 96 96 SER H H 1 9.19 . . 1 . . . A 96 SER H . 18375 1 1029 . 1 1 96 96 SER HA H 1 4.81 . . 1 . . . A 96 SER HA . 18375 1 1030 . 1 1 96 96 SER HB2 H 1 4.09 . . 2 . . . A 96 SER HB2 . 18375 1 1031 . 1 1 96 96 SER HB3 H 1 3.80 . . 2 . . . A 96 SER HB3 . 18375 1 1032 . 1 1 96 96 SER C C 13 172.25 . . 1 . . . A 96 SER C . 18375 1 1033 . 1 1 96 96 SER CA C 13 58.08 . . 1 . . . A 96 SER CA . 18375 1 1034 . 1 1 96 96 SER CB C 13 66.59 . . 1 . . . A 96 SER CB . 18375 1 1035 . 1 1 96 96 SER N N 15 122.26 . . 1 . . . A 96 SER N . 18375 1 1036 . 1 1 97 97 SER H H 1 8.29 . . 1 . . . A 97 SER H . 18375 1 1037 . 1 1 97 97 SER HA H 1 5.62 . . 1 . . . A 97 SER HA . 18375 1 1038 . 1 1 97 97 SER HB2 H 1 3.69 . . 1 . . . A 97 SER HB2 . 18375 1 1039 . 1 1 97 97 SER HB3 H 1 3.69 . . 1 . . . A 97 SER HB3 . 18375 1 1040 . 1 1 97 97 SER C C 13 174.13 . . 1 . . . A 97 SER C . 18375 1 1041 . 1 1 97 97 SER CA C 13 57.26 . . 1 . . . A 97 SER CA . 18375 1 1042 . 1 1 97 97 SER CB C 13 66.74 . . 1 . . . A 97 SER CB . 18375 1 1043 . 1 1 97 97 SER N N 15 112.81 . . 1 . . . A 97 SER N . 18375 1 1044 . 1 1 98 98 ARG H H 1 8.38 . . 1 . . . A 98 ARG H . 18375 1 1045 . 1 1 98 98 ARG HA H 1 4.65 . . 1 . . . A 98 ARG HA . 18375 1 1046 . 1 1 98 98 ARG HB2 H 1 1.66 . . 2 . . . A 98 ARG HB2 . 18375 1 1047 . 1 1 98 98 ARG HB3 H 1 1.61 . . 2 . . . A 98 ARG HB3 . 18375 1 1048 . 1 1 98 98 ARG HG2 H 1 1.35 . . 1 . . . A 98 ARG HG2 . 18375 1 1049 . 1 1 98 98 ARG HG3 H 1 1.35 . . 1 . . . A 98 ARG HG3 . 18375 1 1050 . 1 1 98 98 ARG HD2 H 1 3.05 . . 2 . . . A 98 ARG HD2 . 18375 1 1051 . 1 1 98 98 ARG HD3 H 1 2.85 . . 2 . . . A 98 ARG HD3 . 18375 1 1052 . 1 1 98 98 ARG C C 13 174.03 . . 1 . . . A 98 ARG C . 18375 1 1053 . 1 1 98 98 ARG CA C 13 56.64 . . 1 . . . A 98 ARG CA . 18375 1 1054 . 1 1 98 98 ARG CB C 13 36.24 . . 1 . . . A 98 ARG CB . 18375 1 1055 . 1 1 98 98 ARG CG C 13 28.46 . . 1 . . . A 98 ARG CG . 18375 1 1056 . 1 1 98 98 ARG CD C 13 44.24 . . 1 . . . A 98 ARG CD . 18375 1 1057 . 1 1 98 98 ARG N N 15 122.64 . . 1 . . . A 98 ARG N . 18375 1 1058 . 1 1 99 99 THR H H 1 8.65 . . 1 . . . A 99 THR H . 18375 1 1059 . 1 1 99 99 THR HA H 1 5.28 . . 1 . . . A 99 THR HA . 18375 1 1060 . 1 1 99 99 THR HB H 1 3.84 . . 1 . . . A 99 THR HB . 18375 1 1061 . 1 1 99 99 THR HG21 H 1 0.98 . . 1 . . . A 99 THR HG21 . 18375 1 1062 . 1 1 99 99 THR HG22 H 1 0.98 . . 1 . . . A 99 THR HG22 . 18375 1 1063 . 1 1 99 99 THR HG23 H 1 0.98 . . 1 . . . A 99 THR HG23 . 18375 1 1064 . 1 1 99 99 THR C C 13 173.93 . . 1 . . . A 99 THR C . 18375 1 1065 . 1 1 99 99 THR CA C 13 62.82 . . 1 . . . A 99 THR CA . 18375 1 1066 . 1 1 99 99 THR CB C 13 71.36 . . 1 . . . A 99 THR CB . 18375 1 1067 . 1 1 99 99 THR CG2 C 13 22.47 . . 1 . . . A 99 THR CG2 . 18375 1 1068 . 1 1 99 99 THR N N 15 130.16 . . 1 . . . A 99 THR N . 18375 1 1069 . 1 1 100 100 ILE H H 1 9.56 . . 1 . . . A 100 ILE H . 18375 1 1070 . 1 1 100 100 ILE HA H 1 4.29 . . 1 . . . A 100 ILE HA . 18375 1 1071 . 1 1 100 100 ILE HB H 1 1.84 . . 1 . . . A 100 ILE HB . 18375 1 1072 . 1 1 100 100 ILE HG12 H 1 1.12 . . 2 . . . A 100 ILE HG12 . 18375 1 1073 . 1 1 100 100 ILE HG13 H 1 1.24 . . 2 . . . A 100 ILE HG13 . 18375 1 1074 . 1 1 100 100 ILE HG21 H 1 1.02 . . 1 . . . A 100 ILE HG21 . 18375 1 1075 . 1 1 100 100 ILE HG22 H 1 1.02 . . 1 . . . A 100 ILE HG22 . 18375 1 1076 . 1 1 100 100 ILE HG23 H 1 1.02 . . 1 . . . A 100 ILE HG23 . 18375 1 1077 . 1 1 100 100 ILE HD11 H 1 0.49 . . 1 . . . A 100 ILE HD11 . 18375 1 1078 . 1 1 100 100 ILE HD12 H 1 0.49 . . 1 . . . A 100 ILE HD12 . 18375 1 1079 . 1 1 100 100 ILE HD13 H 1 0.49 . . 1 . . . A 100 ILE HD13 . 18375 1 1080 . 1 1 100 100 ILE C C 13 175.19 . . 1 . . . A 100 ILE C . 18375 1 1081 . 1 1 100 100 ILE CA C 13 60.34 . . 1 . . . A 100 ILE CA . 18375 1 1082 . 1 1 100 100 ILE CB C 13 40.39 . . 1 . . . A 100 ILE CB . 18375 1 1083 . 1 1 100 100 ILE CG1 C 13 27.97 . . 1 . . . A 100 ILE CG1 . 18375 1 1084 . 1 1 100 100 ILE CG2 C 13 18.32 . . 1 . . . A 100 ILE CG2 . 18375 1 1085 . 1 1 100 100 ILE CD1 C 13 13.35 . . 1 . . . A 100 ILE CD1 . 18375 1 1086 . 1 1 100 100 ILE N N 15 112.13 . . 1 . . . A 100 ILE N . 18375 1 1087 . 1 1 101 101 SER H H 1 8.86 . . 1 . . . A 101 SER H . 18375 1 1088 . 1 1 101 101 SER HA H 1 4.12 . . 1 . . . A 101 SER HA . 18375 1 1089 . 1 1 101 101 SER HB2 H 1 4.19 . . 2 . . . A 101 SER HB2 . 18375 1 1090 . 1 1 101 101 SER HB3 H 1 3.99 . . 2 . . . A 101 SER HB3 . 18375 1 1091 . 1 1 101 101 SER C C 13 174.23 . . 1 . . . A 101 SER C . 18375 1 1092 . 1 1 101 101 SER CA C 13 59.45 . . 1 . . . A 101 SER CA . 18375 1 1093 . 1 1 101 101 SER CB C 13 65.41 . . 1 . . . A 101 SER CB . 18375 1 1094 . 1 1 101 101 SER N N 15 121.94 . . 1 . . . A 101 SER N . 18375 1 1095 . 1 1 102 102 ALA H H 1 8.86 . . 1 . . . A 102 ALA H . 18375 1 1096 . 1 1 102 102 ALA HA H 1 3.91 . . 1 . . . A 102 ALA HA . 18375 1 1097 . 1 1 102 102 ALA HB1 H 1 1.40 . . 1 . . . A 102 ALA HB1 . 18375 1 1098 . 1 1 102 102 ALA HB2 H 1 1.40 . . 1 . . . A 102 ALA HB2 . 18375 1 1099 . 1 1 102 102 ALA HB3 H 1 1.40 . . 1 . . . A 102 ALA HB3 . 18375 1 1100 . 1 1 102 102 ALA C C 13 180.44 . . 1 . . . A 102 ALA C . 18375 1 1101 . 1 1 102 102 ALA CA C 13 56.36 . . 1 . . . A 102 ALA CA . 18375 1 1102 . 1 1 102 102 ALA CB C 13 19.43 . . 1 . . . A 102 ALA CB . 18375 1 1103 . 1 1 102 102 ALA N N 15 123.87 . . 1 . . . A 102 ALA N . 18375 1 1104 . 1 1 103 103 SER H H 1 8.18 . . 1 . . . A 103 SER H . 18375 1 1105 . 1 1 103 103 SER HA H 1 4.20 . . 1 . . . A 103 SER HA . 18375 1 1106 . 1 1 103 103 SER HB2 H 1 3.88 . . 1 . . . A 103 SER HB2 . 18375 1 1107 . 1 1 103 103 SER HB3 H 1 3.88 . . 1 . . . A 103 SER HB3 . 18375 1 1108 . 1 1 103 103 SER C C 13 176.05 . . 1 . . . A 103 SER C . 18375 1 1109 . 1 1 103 103 SER CA C 13 61.68 . . 1 . . . A 103 SER CA . 18375 1 1110 . 1 1 103 103 SER CB C 13 63.64 . . 1 . . . A 103 SER CB . 18375 1 1111 . 1 1 103 103 SER N N 15 109.98 . . 1 . . . A 103 SER N . 18375 1 1112 . 1 1 104 104 GLU H H 1 7.56 . . 1 . . . A 104 GLU H . 18375 1 1113 . 1 1 104 104 GLU HA H 1 4.26 . . 1 . . . A 104 GLU HA . 18375 1 1114 . 1 1 104 104 GLU HB2 H 1 2.19 . . 2 . . . A 104 GLU HB2 . 18375 1 1115 . 1 1 104 104 GLU HB3 H 1 2.04 . . 2 . . . A 104 GLU HB3 . 18375 1 1116 . 1 1 104 104 GLU HG2 H 1 2.25 . . 1 . . . A 104 GLU HG2 . 18375 1 1117 . 1 1 104 104 GLU HG3 H 1 2.25 . . 1 . . . A 104 GLU HG3 . 18375 1 1118 . 1 1 104 104 GLU C C 13 178.24 . . 1 . . . A 104 GLU C . 18375 1 1119 . 1 1 104 104 GLU CA C 13 57.96 . . 1 . . . A 104 GLU CA . 18375 1 1120 . 1 1 104 104 GLU CB C 13 32.21 . . 1 . . . A 104 GLU CB . 18375 1 1121 . 1 1 104 104 GLU CG C 13 38.01 . . 1 . . . A 104 GLU CG . 18375 1 1122 . 1 1 104 104 GLU N N 15 121.25 . . 1 . . . A 104 GLU N . 18375 1 1123 . 1 1 105 105 ALA H H 1 8.28 . . 1 . . . A 105 ALA H . 18375 1 1124 . 1 1 105 105 ALA HA H 1 4.06 . . 1 . . . A 105 ALA HA . 18375 1 1125 . 1 1 105 105 ALA HB1 H 1 1.52 . . 1 . . . A 105 ALA HB1 . 18375 1 1126 . 1 1 105 105 ALA HB2 H 1 1.52 . . 1 . . . A 105 ALA HB2 . 18375 1 1127 . 1 1 105 105 ALA HB3 H 1 1.52 . . 1 . . . A 105 ALA HB3 . 18375 1 1128 . 1 1 105 105 ALA C C 13 180.23 . . 1 . . . A 105 ALA C . 18375 1 1129 . 1 1 105 105 ALA CA C 13 57.08 . . 1 . . . A 105 ALA CA . 18375 1 1130 . 1 1 105 105 ALA CB C 13 19.32 . . 1 . . . A 105 ALA CB . 18375 1 1131 . 1 1 105 105 ALA N N 15 121.52 . . 1 . . . A 105 ALA N . 18375 1 1132 . 1 1 106 106 GLY H H 1 8.36 . . 1 . . . A 106 GLY H . 18375 1 1133 . 1 1 106 106 GLY HA2 H 1 3.90 . . 2 . . . A 106 GLY HA2 . 18375 1 1134 . 1 1 106 106 GLY HA3 H 1 4.67 . . 2 . . . A 106 GLY HA3 . 18375 1 1135 . 1 1 106 106 GLY C C 13 174.11 . . 1 . . . A 106 GLY C . 18375 1 1136 . 1 1 106 106 GLY CA C 13 46.78 . . 1 . . . A 106 GLY CA . 18375 1 1137 . 1 1 106 106 GLY N N 15 103.97 . . 1 . . . A 106 GLY N . 18375 1 1138 . 1 1 107 107 ASN H H 1 7.83 . . 1 . . . A 107 ASN H . 18375 1 1139 . 1 1 107 107 ASN HA H 1 4.48 . . 1 . . . A 107 ASN HA . 18375 1 1140 . 1 1 107 107 ASN HB2 H 1 2.58 . . 2 . . . A 107 ASN HB2 . 18375 1 1141 . 1 1 107 107 ASN HB3 H 1 2.47 . . 2 . . . A 107 ASN HB3 . 18375 1 1142 . 1 1 107 107 ASN HD21 H 1 6.99 . . 2 . . . A 107 ASN HD21 . 18375 1 1143 . 1 1 107 107 ASN HD22 H 1 7.40 . . 2 . . . A 107 ASN HD22 . 18375 1 1144 . 1 1 107 107 ASN C C 13 175.11 . . 1 . . . A 107 ASN C . 18375 1 1145 . 1 1 107 107 ASN CA C 13 54.22 . . 1 . . . A 107 ASN CA . 18375 1 1146 . 1 1 107 107 ASN CB C 13 38.89 . . 1 . . . A 107 ASN CB . 18375 1 1147 . 1 1 107 107 ASN N N 15 117.13 . . 1 . . . A 107 ASN N . 18375 1 1148 . 1 1 107 107 ASN ND2 N 15 112.31 . . 1 . . . A 107 ASN ND2 . 18375 1 1149 . 1 1 108 108 TYR H H 1 7.02 . . 1 . . . A 108 TYR H . 18375 1 1150 . 1 1 108 108 TYR HA H 1 4.62 . . 1 . . . A 108 TYR HA . 18375 1 1151 . 1 1 108 108 TYR HB2 H 1 2.90 . . 2 . . . A 108 TYR HB2 . 18375 1 1152 . 1 1 108 108 TYR HB3 H 1 2.35 . . 2 . . . A 108 TYR HB3 . 18375 1 1153 . 1 1 108 108 TYR HD1 H 1 7.08 . . 1 . . . A 108 TYR HD1 . 18375 1 1154 . 1 1 108 108 TYR HD2 H 1 7.08 . . 1 . . . A 108 TYR HD2 . 18375 1 1155 . 1 1 108 108 TYR HE1 H 1 6.74 . . 1 . . . A 108 TYR HE1 . 18375 1 1156 . 1 1 108 108 TYR HE2 H 1 6.74 . . 1 . . . A 108 TYR HE2 . 18375 1 1157 . 1 1 108 108 TYR C C 13 174.81 . . 1 . . . A 108 TYR C . 18375 1 1158 . 1 1 108 108 TYR CA C 13 58.70 . . 1 . . . A 108 TYR CA . 18375 1 1159 . 1 1 108 108 TYR CB C 13 41.26 . . 1 . . . A 108 TYR CB . 18375 1 1160 . 1 1 108 108 TYR CD1 C 13 134.34 . . 1 . . . A 108 TYR CD1 . 18375 1 1161 . 1 1 108 108 TYR CD2 C 13 134.34 . . 1 . . . A 108 TYR CD2 . 18375 1 1162 . 1 1 108 108 TYR CE1 C 13 118.76 . . 1 . . . A 108 TYR CE1 . 18375 1 1163 . 1 1 108 108 TYR CE2 C 13 118.76 . . 1 . . . A 108 TYR CE2 . 18375 1 1164 . 1 1 108 108 TYR N N 15 117.30 . . 1 . . . A 108 TYR N . 18375 1 1165 . 1 1 109 109 ASN H H 1 7.91 . . 1 . . . A 109 ASN H . 18375 1 1166 . 1 1 109 109 ASN HA H 1 5.02 . . 1 . . . A 109 ASN HA . 18375 1 1167 . 1 1 109 109 ASN HB2 H 1 3.12 . . 2 . . . A 109 ASN HB2 . 18375 1 1168 . 1 1 109 109 ASN HB3 H 1 2.05 . . 2 . . . A 109 ASN HB3 . 18375 1 1169 . 1 1 109 109 ASN HD21 H 1 6.84 . . 2 . . . A 109 ASN HD21 . 18375 1 1170 . 1 1 109 109 ASN HD22 H 1 7.64 . . 2 . . . A 109 ASN HD22 . 18375 1 1171 . 1 1 109 109 ASN C C 13 173.59 . . 1 . . . A 109 ASN C . 18375 1 1172 . 1 1 109 109 ASN CA C 13 53.14 . . 1 . . . A 109 ASN CA . 18375 1 1173 . 1 1 109 109 ASN CB C 13 41.59 . . 1 . . . A 109 ASN CB . 18375 1 1174 . 1 1 109 109 ASN N N 15 117.26 . . 1 . . . A 109 ASN N . 18375 1 1175 . 1 1 109 109 ASN ND2 N 15 113.44 . . 1 . . . A 109 ASN ND2 . 18375 1 1176 . 1 1 110 110 TYR H H 1 9.34 . . 1 . . . A 110 TYR H . 18375 1 1177 . 1 1 110 110 TYR HA H 1 5.30 . . 1 . . . A 110 TYR HA . 18375 1 1178 . 1 1 110 110 TYR HB2 H 1 2.54 . . 2 . . . A 110 TYR HB2 . 18375 1 1179 . 1 1 110 110 TYR HB3 H 1 1.94 . . 2 . . . A 110 TYR HB3 . 18375 1 1180 . 1 1 110 110 TYR HD1 H 1 6.49 . . 1 . . . A 110 TYR HD1 . 18375 1 1181 . 1 1 110 110 TYR HD2 H 1 6.49 . . 1 . . . A 110 TYR HD2 . 18375 1 1182 . 1 1 110 110 TYR HE1 H 1 7.56 . . 1 . . . A 110 TYR HE1 . 18375 1 1183 . 1 1 110 110 TYR HE2 H 1 7.56 . . 1 . . . A 110 TYR HE2 . 18375 1 1184 . 1 1 110 110 TYR C C 13 174.45 . . 1 . . . A 110 TYR C . 18375 1 1185 . 1 1 110 110 TYR CA C 13 57.74 . . 1 . . . A 110 TYR CA . 18375 1 1186 . 1 1 110 110 TYR CB C 13 41.58 . . 1 . . . A 110 TYR CB . 18375 1 1187 . 1 1 110 110 TYR N N 15 117.41 . . 1 . . . A 110 TYR N . 18375 1 1188 . 1 1 111 111 ILE H H 1 9.32 . . 1 . . . A 111 ILE H . 18375 1 1189 . 1 1 111 111 ILE HA H 1 4.36 . . 1 . . . A 111 ILE HA . 18375 1 1190 . 1 1 111 111 ILE HB H 1 1.96 . . 1 . . . A 111 ILE HB . 18375 1 1191 . 1 1 111 111 ILE HG12 H 1 0.85 . . 2 . . . A 111 ILE HG12 . 18375 1 1192 . 1 1 111 111 ILE HG13 H 1 1.60 . . 2 . . . A 111 ILE HG13 . 18375 1 1193 . 1 1 111 111 ILE HG21 H 1 0.72 . . 1 . . . A 111 ILE HG21 . 18375 1 1194 . 1 1 111 111 ILE HG22 H 1 0.72 . . 1 . . . A 111 ILE HG22 . 18375 1 1195 . 1 1 111 111 ILE HG23 H 1 0.72 . . 1 . . . A 111 ILE HG23 . 18375 1 1196 . 1 1 111 111 ILE HD11 H 1 0.86 . . 1 . . . A 111 ILE HD11 . 18375 1 1197 . 1 1 111 111 ILE HD12 H 1 0.86 . . 1 . . . A 111 ILE HD12 . 18375 1 1198 . 1 1 111 111 ILE HD13 H 1 0.86 . . 1 . . . A 111 ILE HD13 . 18375 1 1199 . 1 1 111 111 ILE C C 13 175.25 . . 1 . . . A 111 ILE C . 18375 1 1200 . 1 1 111 111 ILE CA C 13 61.53 . . 1 . . . A 111 ILE CA . 18375 1 1201 . 1 1 111 111 ILE CB C 13 40.56 . . 1 . . . A 111 ILE CB . 18375 1 1202 . 1 1 111 111 ILE CG1 C 13 28.08 . . 1 . . . A 111 ILE CG1 . 18375 1 1203 . 1 1 111 111 ILE CG2 C 13 18.67 . . 1 . . . A 111 ILE CG2 . 18375 1 1204 . 1 1 111 111 ILE CD1 C 13 15.86 . . 1 . . . A 111 ILE CD1 . 18375 1 1205 . 1 1 111 111 ILE N N 15 123.08 . . 1 . . . A 111 ILE N . 18375 1 1206 . 1 1 112 112 HIS H H 1 8.71 . . 1 . . . A 112 HIS H . 18375 1 1207 . 1 1 112 112 HIS HA H 1 4.56 . . 1 . . . A 112 HIS HA . 18375 1 1208 . 1 1 112 112 HIS HB2 H 1 3.19 . . 2 . . . A 112 HIS HB2 . 18375 1 1209 . 1 1 112 112 HIS HB3 H 1 3.08 . . 2 . . . A 112 HIS HB3 . 18375 1 1210 . 1 1 112 112 HIS HD2 H 1 6.87 . . 1 . . . A 112 HIS HD2 . 18375 1 1211 . 1 1 112 112 HIS C C 13 173.98 . . 1 . . . A 112 HIS C . 18375 1 1212 . 1 1 112 112 HIS CA C 13 57.55 . . 1 . . . A 112 HIS CA . 18375 1 1213 . 1 1 112 112 HIS CB C 13 31.35 . . 1 . . . A 112 HIS CB . 18375 1 1214 . 1 1 112 112 HIS CD2 C 13 120.72 . . 1 . . . A 112 HIS CD2 . 18375 1 1215 . 1 1 112 112 HIS N N 15 127.02 . . 1 . . . A 112 HIS N . 18375 1 1216 . 1 1 113 113 ILE H H 1 8.22 . . 1 . . . A 113 ILE H . 18375 1 1217 . 1 1 113 113 ILE HA H 1 4.31 . . 1 . . . A 113 ILE HA . 18375 1 1218 . 1 1 113 113 ILE HB H 1 1.86 . . 1 . . . A 113 ILE HB . 18375 1 1219 . 1 1 113 113 ILE HG12 H 1 1.28 . . 2 . . . A 113 ILE HG12 . 18375 1 1220 . 1 1 113 113 ILE HG13 H 1 1.46 . . 2 . . . A 113 ILE HG13 . 18375 1 1221 . 1 1 113 113 ILE HG21 H 1 0.90 . . 1 . . . A 113 ILE HG21 . 18375 1 1222 . 1 1 113 113 ILE HG22 H 1 0.90 . . 1 . . . A 113 ILE HG22 . 18375 1 1223 . 1 1 113 113 ILE HG23 H 1 0.90 . . 1 . . . A 113 ILE HG23 . 18375 1 1224 . 1 1 113 113 ILE HD11 H 1 0.79 . . 1 . . . A 113 ILE HD11 . 18375 1 1225 . 1 1 113 113 ILE HD12 H 1 0.79 . . 1 . . . A 113 ILE HD12 . 18375 1 1226 . 1 1 113 113 ILE HD13 H 1 0.79 . . 1 . . . A 113 ILE HD13 . 18375 1 1227 . 1 1 113 113 ILE C C 13 171.53 . . 1 . . . A 113 ILE C . 18375 1 1228 . 1 1 113 113 ILE CA C 13 64.04 . . 1 . . . A 113 ILE CA . 18375 1 1229 . 1 1 113 113 ILE CB C 13 40.06 . . 1 . . . A 113 ILE CB . 18375 1 1230 . 1 1 113 113 ILE CG1 C 13 28.81 . . 1 . . . A 113 ILE CG1 . 18375 1 1231 . 1 1 113 113 ILE CG2 C 13 19.66 . . 1 . . . A 113 ILE CG2 . 18375 1 1232 . 1 1 113 113 ILE CD1 C 13 14.52 . . 1 . . . A 113 ILE CD1 . 18375 1 1233 . 1 1 113 113 ILE N N 15 128.46 . . 1 . . . A 113 ILE N . 18375 1 stop_ save_