data_16774 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16774 _Entry.Title ; Solution structure of the Mycobacterium tuberculosis protein Rv0543c, a member of the DUF3349 superfamily. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target MytuD.17112.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-12 _Entry.Accession_date 2010-03-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W. . 16774 2 Chang Kim . Y. . 16774 3 Terwilliger Thomas . C. . 16774 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 . 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . 16774 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 16774 SSGCID . 16774 tuberculosis . 16774 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16774 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 16774 '15N chemical shifts' 94 16774 '1H chemical shifts' 671 16774 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 4 . . 2010-06-01 2010-03-12 update BMRB 'update entry citation' 16774 3 . . 2010-06-03 2010-03-12 update BMRB 'edit assembly name' 16774 2 . . 2010-05-06 2010-03-12 update author 'update entry title' 16774 1 . . 2010-03-22 2010-03-12 original author 'original release' 16774 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KVC 'BMRB Entry Tracking System' 16774 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16774 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21144816 _Citation.Full_citation . _Citation.Title 'Inaugural structure from the DUF3349 superfamily of proteins, Mycobacterium tuberculosis Rv0543c.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Arch. Biochem. Biophys.' _Citation.Journal_name_full 'Archives of biochemistry and biophysics' _Citation.Journal_volume 506 _Citation.Journal_issue 2 _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 150 _Citation.Page_last 156 _Citation.Year 2011 _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 Garry Buchko . W. . 16774 1 2 Isabelle Phan . . . 16774 1 3 Peter Myler . J. . 16774 1 4 Thomas Terwilliger . C. . 16774 1 5 Chang-Yub Kim . . . 16774 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16774 _Assembly.ID 1 _Assembly.Name Rv0543c _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 Rv0543c 1 $Rv0543c A . yes native no no . . . 16774 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv0543c _Entity.Sf_category entity _Entity.Sf_framecode Rv0543c _Entity.Entry_ID 16774 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv0543c _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 ; GSHMNRFLTSIVAWLRAGYP EGIPPTDSFAVLALLCRRLS HDEVKAVANELMRLGDFDQI DIGVVITHFTDELPSPEDVE RVRARLAAQGWPLDDVRDRE EHA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 are non-natural residues that remain after cleavage of an affinity tag.' _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _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 2KVC . "Solution Structure Of The Mycobacterium Tuberculosis Protein Rv0543c, A Member Of The Duf3349 Superfamily. Seattle Structural G" . . . . . 100.00 103 100.00 100.00 1.12e-67 . . . . 16774 1 2 no DBJ BAH24852 . "hypothetical protein JTY_0557 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 3 no DBJ BAL64411 . "hypothetical protein ERDMAN_0595 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 4 no DBJ BAQ04425 . "hypothetical protein KURONO_0605 [Mycobacterium tuberculosis str. Kurono]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 5 no DBJ GAA44326 . "hypothetical protein NCGM2209_0928 [Mycobacterium tuberculosis NCGM2209]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 6 no EMBL CAL70572 . "Conserved hypothetical protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 7 no EMBL CCC25622 . "conserved hypothetical protein [Mycobacterium africanum GM041182]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 8 no EMBL CCC42886 . "conserved hypothetical protein [Mycobacterium canettii CIPT 140010059]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 9 no EMBL CCC63147 . "conserved hypothetical protein [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 10 no EMBL CCE36083 . "unnamed protein product [Mycobacterium tuberculosis UT205]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 11 no GB ABQ72273 . "hypothetical protein MRA_0550 [Mycobacterium tuberculosis H37Ra]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 12 no GB ABR04897 . "conserved hypothetical protein [Mycobacterium tuberculosis F11]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 13 no GB ACT23581 . "conserved hypothetical protein [Mycobacterium tuberculosis KZN 1435]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 14 no GB AEB02684 . "conserved hypothetical protein [Mycobacterium tuberculosis KZN 4207]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 15 no GB AEJ45701 . "Chain A, Solution Structure Of the member Of The Duf3349 Superfamily [Mycobacterium tuberculosis CCDC5079]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 16 no REF NP_215057 . "hypothetical protein Rv0543c [Mycobacterium tuberculosis H37Rv]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 17 no REF NP_854218 . "hypothetical protein Mb0557c [Mycobacterium bovis AF2122/97]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 18 no REF WP_003402896 . "MULTISPECIES: hypothetical protein [Mycobacterium]" . . . . . 97.09 100 100.00 100.00 5.22e-65 . . . . 16774 1 19 no REF WP_003909241 . "MULTISPECIES: hypothetical protein [Mycobacterium tuberculosis complex]" . . . . . 97.09 100 99.00 99.00 4.94e-64 . . . . 16774 1 20 no REF WP_024456652 . "hypothetical protein [Mycobacterium bovis]" . . . . . 97.09 100 99.00 99.00 6.93e-64 . . . . 16774 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 . GLY . 16774 1 2 . SER . 16774 1 3 . HIS . 16774 1 4 . MET . 16774 1 5 . ASN . 16774 1 6 . ARG . 16774 1 7 . PHE . 16774 1 8 . LEU . 16774 1 9 . THR . 16774 1 10 . SER . 16774 1 11 . ILE . 16774 1 12 . VAL . 16774 1 13 . ALA . 16774 1 14 . TRP . 16774 1 15 . LEU . 16774 1 16 . ARG . 16774 1 17 . ALA . 16774 1 18 . GLY . 16774 1 19 . TYR . 16774 1 20 . PRO . 16774 1 21 . GLU . 16774 1 22 . GLY . 16774 1 23 . ILE . 16774 1 24 . PRO . 16774 1 25 . PRO . 16774 1 26 . THR . 16774 1 27 . ASP . 16774 1 28 . SER . 16774 1 29 . PHE . 16774 1 30 . ALA . 16774 1 31 . VAL . 16774 1 32 . LEU . 16774 1 33 . ALA . 16774 1 34 . LEU . 16774 1 35 . LEU . 16774 1 36 . CYS . 16774 1 37 . ARG . 16774 1 38 . ARG . 16774 1 39 . LEU . 16774 1 40 . SER . 16774 1 41 . HIS . 16774 1 42 . ASP . 16774 1 43 . GLU . 16774 1 44 . VAL . 16774 1 45 . LYS . 16774 1 46 . ALA . 16774 1 47 . VAL . 16774 1 48 . ALA . 16774 1 49 . ASN . 16774 1 50 . GLU . 16774 1 51 . LEU . 16774 1 52 . MET . 16774 1 53 . ARG . 16774 1 54 . LEU . 16774 1 55 . GLY . 16774 1 56 . ASP . 16774 1 57 . PHE . 16774 1 58 . ASP . 16774 1 59 . GLN . 16774 1 60 . ILE . 16774 1 61 . ASP . 16774 1 62 . ILE . 16774 1 63 . GLY . 16774 1 64 . VAL . 16774 1 65 . VAL . 16774 1 66 . ILE . 16774 1 67 . THR . 16774 1 68 . HIS . 16774 1 69 . PHE . 16774 1 70 . THR . 16774 1 71 . ASP . 16774 1 72 . GLU . 16774 1 73 . LEU . 16774 1 74 . PRO . 16774 1 75 . SER . 16774 1 76 . PRO . 16774 1 77 . GLU . 16774 1 78 . ASP . 16774 1 79 . VAL . 16774 1 80 . GLU . 16774 1 81 . ARG . 16774 1 82 . VAL . 16774 1 83 . ARG . 16774 1 84 . ALA . 16774 1 85 . ARG . 16774 1 86 . LEU . 16774 1 87 . ALA . 16774 1 88 . ALA . 16774 1 89 . GLN . 16774 1 90 . GLY . 16774 1 91 . TRP . 16774 1 92 . PRO . 16774 1 93 . LEU . 16774 1 94 . ASP . 16774 1 95 . ASP . 16774 1 96 . VAL . 16774 1 97 . ARG . 16774 1 98 . ASP . 16774 1 99 . ARG . 16774 1 100 . GLU . 16774 1 101 . GLU . 16774 1 102 . HIS . 16774 1 103 . ALA . 16774 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 16774 1 . SER 2 2 16774 1 . HIS 3 3 16774 1 . MET 4 4 16774 1 . ASN 5 5 16774 1 . ARG 6 6 16774 1 . PHE 7 7 16774 1 . LEU 8 8 16774 1 . THR 9 9 16774 1 . SER 10 10 16774 1 . ILE 11 11 16774 1 . VAL 12 12 16774 1 . ALA 13 13 16774 1 . TRP 14 14 16774 1 . LEU 15 15 16774 1 . ARG 16 16 16774 1 . ALA 17 17 16774 1 . GLY 18 18 16774 1 . TYR 19 19 16774 1 . PRO 20 20 16774 1 . GLU 21 21 16774 1 . GLY 22 22 16774 1 . ILE 23 23 16774 1 . PRO 24 24 16774 1 . PRO 25 25 16774 1 . THR 26 26 16774 1 . ASP 27 27 16774 1 . SER 28 28 16774 1 . PHE 29 29 16774 1 . ALA 30 30 16774 1 . VAL 31 31 16774 1 . LEU 32 32 16774 1 . ALA 33 33 16774 1 . LEU 34 34 16774 1 . LEU 35 35 16774 1 . CYS 36 36 16774 1 . ARG 37 37 16774 1 . ARG 38 38 16774 1 . LEU 39 39 16774 1 . SER 40 40 16774 1 . HIS 41 41 16774 1 . ASP 42 42 16774 1 . GLU 43 43 16774 1 . VAL 44 44 16774 1 . LYS 45 45 16774 1 . ALA 46 46 16774 1 . VAL 47 47 16774 1 . ALA 48 48 16774 1 . ASN 49 49 16774 1 . GLU 50 50 16774 1 . LEU 51 51 16774 1 . MET 52 52 16774 1 . ARG 53 53 16774 1 . LEU 54 54 16774 1 . GLY 55 55 16774 1 . ASP 56 56 16774 1 . PHE 57 57 16774 1 . ASP 58 58 16774 1 . GLN 59 59 16774 1 . ILE 60 60 16774 1 . ASP 61 61 16774 1 . ILE 62 62 16774 1 . GLY 63 63 16774 1 . VAL 64 64 16774 1 . VAL 65 65 16774 1 . ILE 66 66 16774 1 . THR 67 67 16774 1 . HIS 68 68 16774 1 . PHE 69 69 16774 1 . THR 70 70 16774 1 . ASP 71 71 16774 1 . GLU 72 72 16774 1 . LEU 73 73 16774 1 . PRO 74 74 16774 1 . SER 75 75 16774 1 . PRO 76 76 16774 1 . GLU 77 77 16774 1 . ASP 78 78 16774 1 . VAL 79 79 16774 1 . GLU 80 80 16774 1 . ARG 81 81 16774 1 . VAL 82 82 16774 1 . ARG 83 83 16774 1 . ALA 84 84 16774 1 . ARG 85 85 16774 1 . LEU 86 86 16774 1 . ALA 87 87 16774 1 . ALA 88 88 16774 1 . GLN 89 89 16774 1 . GLY 90 90 16774 1 . TRP 91 91 16774 1 . PRO 92 92 16774 1 . LEU 93 93 16774 1 . ASP 94 94 16774 1 . ASP 95 95 16774 1 . VAL 96 96 16774 1 . ARG 97 97 16774 1 . ASP 98 98 16774 1 . ARG 99 99 16774 1 . GLU 100 100 16774 1 . GLU 101 101 16774 1 . HIS 102 102 16774 1 . ALA 103 103 16774 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 16774 _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 $Rv0543c . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . Rv0543c . . . . 16774 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 16774 _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 $Rv0543c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21PRO . . . . . . . . . . . . . . . pET28b . . . . . . 16774 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16774 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Rv0543c 'natural abundance' . . 1 $Rv0543c . . 1-2 . . mM 0.2 . . . 16774 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM 10 . . . 16774 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 2 . . . 16774 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 16774 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16774 _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 Rv0543c 'natural abundance' . . 1 $Rv0543c . . 1-2 . . mM 0.2 . . . 16774 2 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM 10 . . . 16774 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 2 . . . 16774 2 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 16774 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 16774 _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' 300 2 mM 16774 1 pH 7.0 0.2 pH 16774 1 pressure 1 . atm 16774 1 temperature 293 . K 16774 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16774 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16774 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16774 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16774 _Software.ID 2 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16774 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16774 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16774 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16774 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16774 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16774 _Software.ID 4 _Software.Name PSVS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16774 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16774 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16774 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16774 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16774 5 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 16774 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16774 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16774 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16774 _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 . . . 16774 1 2 spectrometer_2 Varian INOVA . 750 . . . 16774 1 3 spectrometer_3 Varian UnityPlus . 500 . . . 16774 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 16774 _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 . . . . . . . . . . . . . . . . 16774 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16774 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16774 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16774 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16774 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16774 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16774 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16774 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16774 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16774 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 16774 _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 . indirect 0.251449530 . . . . . . . . . 16774 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16774 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16774 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 16774 _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 C(CO)NH' . . . 16774 1 7 '3D 1H-15N NOESY' . . . 16774 1 8 '3D 1H-13C NOESY' . . . 16774 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16774 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 1 1 GLY H H 1 8.50 0.02 . 1 . . . . 1 GLY H . 16774 1 2 . 1 1 1 1 GLY HA2 H 1 4.02 0.02 . 2 . . . . 1 GLY HA2 . 16774 1 3 . 1 1 1 1 GLY HA3 H 1 4.02 0.02 . 2 . . . . 1 GLY HA3 . 16774 1 4 . 1 1 1 1 GLY CA C 13 45.3 0.2 . 1 . . . . 1 GLY CA . 16774 1 5 . 1 1 2 2 SER H H 1 7.98 0.02 . 1 . . . . 2 SER H . 16774 1 6 . 1 1 2 2 SER HA H 1 4.34 0.02 . 1 . . . . 2 SER HA . 16774 1 7 . 1 1 2 2 SER HB2 H 1 3.91 0.02 . 2 . . . . 2 SER HB2 . 16774 1 8 . 1 1 2 2 SER HB3 H 1 3.91 0.02 . 2 . . . . 2 SER HB3 . 16774 1 9 . 1 1 2 2 SER C C 13 173.5 0.2 . 1 . . . . 2 SER C . 16774 1 10 . 1 1 2 2 SER CA C 13 60.0 0.2 . 1 . . . . 2 SER CA . 16774 1 11 . 1 1 2 2 SER CB C 13 64.9 0.2 . 1 . . . . 2 SER CB . 16774 1 12 . 1 1 2 2 SER N N 15 121.3 0.2 . 1 . . . . 2 SER N . 16774 1 13 . 1 1 3 3 HIS HA H 1 4.14 0.02 . 1 . . . . 3 HIS HA . 16774 1 14 . 1 1 3 3 HIS HB2 H 1 3.13 0.02 . 2 . . . . 3 HIS HB2 . 16774 1 15 . 1 1 3 3 HIS HB3 H 1 2.87 0.02 . 2 . . . . 3 HIS HB3 . 16774 1 16 . 1 1 3 3 HIS HD2 H 1 6.94 0.02 . 1 . . . . 3 HIS HD2 . 16774 1 17 . 1 1 3 3 HIS C C 13 177.0 0.2 . 1 . . . . 3 HIS C . 16774 1 18 . 1 1 3 3 HIS CB C 13 31.9 0.2 . 1 . . . . 3 HIS CB . 16774 1 19 . 1 1 3 3 HIS CD2 C 13 117.7 0.2 . 1 . . . . 3 HIS CD2 . 16774 1 20 . 1 1 4 4 MET H H 1 8.24 0.02 . 1 . . . . 4 MET H . 16774 1 21 . 1 1 4 4 MET HA H 1 4.53 0.02 . 1 . . . . 4 MET HA . 16774 1 22 . 1 1 4 4 MET HB2 H 1 2.46 0.02 . 2 . . . . 4 MET HB2 . 16774 1 23 . 1 1 4 4 MET HB3 H 1 2.46 0.02 . 2 . . . . 4 MET HB3 . 16774 1 24 . 1 1 4 4 MET HE1 H 1 1.90 0.02 . 1 . . . . 4 MET ME . 16774 1 25 . 1 1 4 4 MET HE2 H 1 1.90 0.02 . 1 . . . . 4 MET ME . 16774 1 26 . 1 1 4 4 MET HE3 H 1 1.90 0.02 . 1 . . . . 4 MET ME . 16774 1 27 . 1 1 4 4 MET CA C 13 58.3 0.2 . 1 . . . . 4 MET CA . 16774 1 28 . 1 1 4 4 MET CB C 13 32.2 0.2 . 1 . . . . 4 MET CB . 16774 1 29 . 1 1 4 4 MET CE C 13 17.1 0.2 . 1 . . . . 4 MET CE . 16774 1 30 . 1 1 4 4 MET N N 15 121.1 0.2 . 1 . . . . 4 MET N . 16774 1 31 . 1 1 5 5 ASN H H 1 7.92 0.02 . 1 . . . . 5 ASN H . 16774 1 32 . 1 1 5 5 ASN HA H 1 4.67 0.02 . 1 . . . . 5 ASN HA . 16774 1 33 . 1 1 5 5 ASN HB2 H 1 3.47 0.02 . 2 . . . . 5 ASN HB2 . 16774 1 34 . 1 1 5 5 ASN HB3 H 1 3.00 0.02 . 2 . . . . 5 ASN HB3 . 16774 1 35 . 1 1 5 5 ASN HD21 H 1 7.73 0.02 . 2 . . . . 5 ASN HD21 . 16774 1 36 . 1 1 5 5 ASN HD22 H 1 7.07 0.02 . 2 . . . . 5 ASN HD22 . 16774 1 37 . 1 1 5 5 ASN CA C 13 56.3 0.2 . 1 . . . . 5 ASN CA . 16774 1 38 . 1 1 5 5 ASN CB C 13 38.8 0.2 . 1 . . . . 5 ASN CB . 16774 1 39 . 1 1 5 5 ASN N N 15 119.6 0.2 . 1 . . . . 5 ASN N . 16774 1 40 . 1 1 5 5 ASN ND2 N 15 112.4 0.2 . 1 . . . . 5 ASN ND2 . 16774 1 41 . 1 1 6 6 ARG HA H 1 4.04 0.02 . 1 . . . . 6 ARG HA . 16774 1 42 . 1 1 6 6 ARG HB2 H 1 2.00 0.02 . 2 . . . . 6 ARG HB2 . 16774 1 43 . 1 1 6 6 ARG HB3 H 1 2.00 0.02 . 2 . . . . 6 ARG HB3 . 16774 1 44 . 1 1 6 6 ARG HD2 H 1 3.27 0.02 . 2 . . . . 6 ARG HD2 . 16774 1 45 . 1 1 6 6 ARG HD3 H 1 3.27 0.02 . 2 . . . . 6 ARG HD3 . 16774 1 46 . 1 1 6 6 ARG HG2 H 1 1.83 0.02 . 2 . . . . 6 ARG HG2 . 16774 1 47 . 1 1 6 6 ARG HG3 H 1 1.72 0.02 . 2 . . . . 6 ARG HG3 . 16774 1 48 . 1 1 6 6 ARG C C 13 178.5 0.2 . 1 . . . . 6 ARG C . 16774 1 49 . 1 1 6 6 ARG CA C 13 60.1 0.2 . 1 . . . . 6 ARG CA . 16774 1 50 . 1 1 6 6 ARG CB C 13 29.9 0.2 . 1 . . . . 6 ARG CB . 16774 1 51 . 1 1 6 6 ARG CD C 13 43.3 0.2 . 1 . . . . 6 ARG CD . 16774 1 52 . 1 1 6 6 ARG CG C 13 27.1 0.2 . 1 . . . . 6 ARG CG . 16774 1 53 . 1 1 7 7 PHE H H 1 8.57 0.02 . 1 . . . . 7 PHE H . 16774 1 54 . 1 1 7 7 PHE HA H 1 4.42 0.02 . 1 . . . . 7 PHE HA . 16774 1 55 . 1 1 7 7 PHE HB2 H 1 3.38 0.02 . 2 . . . . 7 PHE HB2 . 16774 1 56 . 1 1 7 7 PHE HB3 H 1 3.02 0.02 . 2 . . . . 7 PHE HB3 . 16774 1 57 . 1 1 7 7 PHE HD1 H 1 7.19 0.02 . 3 . . . . 7 PHE HD1 . 16774 1 58 . 1 1 7 7 PHE HD2 H 1 7.19 0.02 . 3 . . . . 7 PHE HD2 . 16774 1 59 . 1 1 7 7 PHE HE1 H 1 7.19 0.02 . 3 . . . . 7 PHE HE1 . 16774 1 60 . 1 1 7 7 PHE HE2 H 1 7.19 0.02 . 3 . . . . 7 PHE HE2 . 16774 1 61 . 1 1 7 7 PHE C C 13 178.2 0.2 . 1 . . . . 7 PHE C . 16774 1 62 . 1 1 7 7 PHE CA C 13 60.8 0.2 . 1 . . . . 7 PHE CA . 16774 1 63 . 1 1 7 7 PHE CB C 13 39.1 0.2 . 1 . . . . 7 PHE CB . 16774 1 64 . 1 1 7 7 PHE CD1 C 13 131.6 0.2 . 3 . . . . 7 PHE CD1 . 16774 1 65 . 1 1 7 7 PHE CD2 C 13 131.6 0.2 . 3 . . . . 7 PHE CD2 . 16774 1 66 . 1 1 7 7 PHE CE1 C 13 131.6 0.2 . 3 . . . . 7 PHE CE1 . 16774 1 67 . 1 1 7 7 PHE CE2 C 13 131.6 0.2 . 3 . . . . 7 PHE CE2 . 16774 1 68 . 1 1 7 7 PHE CZ C 13 131.6 0.2 . 1 . . . . 7 PHE CZ . 16774 1 69 . 1 1 7 7 PHE N N 15 122.0 0.2 . 1 . . . . 7 PHE N . 16774 1 70 . 1 1 8 8 LEU H H 1 8.97 0.02 . 1 . . . . 8 LEU H . 16774 1 71 . 1 1 8 8 LEU HA H 1 3.72 0.02 . 1 . . . . 8 LEU HA . 16774 1 72 . 1 1 8 8 LEU HB2 H 1 1.82 0.02 . 2 . . . . 8 LEU HB2 . 16774 1 73 . 1 1 8 8 LEU HB3 H 1 1.37 0.02 . 2 . . . . 8 LEU HB3 . 16774 1 74 . 1 1 8 8 LEU HD11 H 1 1.15 0.02 . 2 . . . . 8 LEU MD1 . 16774 1 75 . 1 1 8 8 LEU HD12 H 1 1.15 0.02 . 2 . . . . 8 LEU MD1 . 16774 1 76 . 1 1 8 8 LEU HD13 H 1 1.15 0.02 . 2 . . . . 8 LEU MD1 . 16774 1 77 . 1 1 8 8 LEU HD21 H 1 0.85 0.02 . 2 . . . . 8 LEU MD2 . 16774 1 78 . 1 1 8 8 LEU HD22 H 1 0.85 0.02 . 2 . . . . 8 LEU MD2 . 16774 1 79 . 1 1 8 8 LEU HD23 H 1 0.85 0.02 . 2 . . . . 8 LEU MD2 . 16774 1 80 . 1 1 8 8 LEU HG H 1 2.22 0.02 . 1 . . . . 8 LEU HG . 16774 1 81 . 1 1 8 8 LEU C C 13 179.4 0.2 . 1 . . . . 8 LEU C . 16774 1 82 . 1 1 8 8 LEU CA C 13 58.2 0.2 . 1 . . . . 8 LEU CA . 16774 1 83 . 1 1 8 8 LEU CB C 13 41.2 0.2 . 1 . . . . 8 LEU CB . 16774 1 84 . 1 1 8 8 LEU CD1 C 13 26.5 0.2 . 2 . . . . 8 LEU CD1 . 16774 1 85 . 1 1 8 8 LEU CD2 C 13 26.1 0.2 . 2 . . . . 8 LEU CD2 . 16774 1 86 . 1 1 8 8 LEU CG C 13 26.8 0.2 . 1 . . . . 8 LEU CG . 16774 1 87 . 1 1 8 8 LEU N N 15 119.6 0.2 . 1 . . . . 8 LEU N . 16774 1 88 . 1 1 9 9 THR H H 1 8.55 0.02 . 1 . . . . 9 THR H . 16774 1 89 . 1 1 9 9 THR HA H 1 3.79 0.02 . 1 . . . . 9 THR HA . 16774 1 90 . 1 1 9 9 THR HB H 1 4.31 0.02 . 1 . . . . 9 THR HB . 16774 1 91 . 1 1 9 9 THR HG21 H 1 1.27 0.02 . 1 . . . . 9 THR MG . 16774 1 92 . 1 1 9 9 THR HG22 H 1 1.27 0.02 . 1 . . . . 9 THR MG . 16774 1 93 . 1 1 9 9 THR HG23 H 1 1.27 0.02 . 1 . . . . 9 THR MG . 16774 1 94 . 1 1 9 9 THR C C 13 176.9 0.2 . 1 . . . . 9 THR C . 16774 1 95 . 1 1 9 9 THR CA C 13 67.9 0.2 . 1 . . . . 9 THR CA . 16774 1 96 . 1 1 9 9 THR CB C 13 68.6 0.2 . 1 . . . . 9 THR CB . 16774 1 97 . 1 1 9 9 THR CG2 C 13 21.5 0.2 . 1 . . . . 9 THR CG2 . 16774 1 98 . 1 1 9 9 THR N N 15 116.4 0.2 . 1 . . . . 9 THR N . 16774 1 99 . 1 1 10 10 SER H H 1 8.09 0.02 . 1 . . . . 10 SER H . 16774 1 100 . 1 1 10 10 SER HA H 1 4.37 0.02 . 1 . . . . 10 SER HA . 16774 1 101 . 1 1 10 10 SER HB2 H 1 3.98 0.02 . 2 . . . . 10 SER HB2 . 16774 1 102 . 1 1 10 10 SER HB3 H 1 3.98 0.02 . 2 . . . . 10 SER HB3 . 16774 1 103 . 1 1 10 10 SER C C 13 176.5 0.2 . 1 . . . . 10 SER C . 16774 1 104 . 1 1 10 10 SER CA C 13 61.7 0.2 . 1 . . . . 10 SER CA . 16774 1 105 . 1 1 10 10 SER CB C 13 62.4 0.2 . 1 . . . . 10 SER CB . 16774 1 106 . 1 1 10 10 SER N N 15 119.7 0.2 . 1 . . . . 10 SER N . 16774 1 107 . 1 1 11 11 ILE H H 1 7.53 0.02 . 1 . . . . 11 ILE H . 16774 1 108 . 1 1 11 11 ILE HA H 1 3.86 0.02 . 1 . . . . 11 ILE HA . 16774 1 109 . 1 1 11 11 ILE HB H 1 2.14 0.02 . 1 . . . . 11 ILE HB . 16774 1 110 . 1 1 11 11 ILE HD11 H 1 0.07 0.02 . 1 . . . . 11 ILE MD . 16774 1 111 . 1 1 11 11 ILE HD12 H 1 0.07 0.02 . 1 . . . . 11 ILE MD . 16774 1 112 . 1 1 11 11 ILE HD13 H 1 0.07 0.02 . 1 . . . . 11 ILE MD . 16774 1 113 . 1 1 11 11 ILE HG12 H 1 0.87 0.02 . 2 . . . . 11 ILE HG12 . 16774 1 114 . 1 1 11 11 ILE HG13 H 1 0.81 0.02 . 2 . . . . 11 ILE HG13 . 16774 1 115 . 1 1 11 11 ILE HG21 H 1 0.96 0.02 . 1 . . . . 11 ILE MG . 16774 1 116 . 1 1 11 11 ILE HG22 H 1 0.96 0.02 . 1 . . . . 11 ILE MG . 16774 1 117 . 1 1 11 11 ILE HG23 H 1 0.96 0.02 . 1 . . . . 11 ILE MG . 16774 1 118 . 1 1 11 11 ILE C C 13 177.7 0.2 . 1 . . . . 11 ILE C . 16774 1 119 . 1 1 11 11 ILE CA C 13 63.4 0.2 . 1 . . . . 11 ILE CA . 16774 1 120 . 1 1 11 11 ILE CB C 13 35.7 0.2 . 1 . . . . 11 ILE CB . 16774 1 121 . 1 1 11 11 ILE CD1 C 13 10.9 0.2 . 1 . . . . 11 ILE CD1 . 16774 1 122 . 1 1 11 11 ILE CG1 C 13 27.6 0.2 . 1 . . . . 11 ILE CG1 . 16774 1 123 . 1 1 11 11 ILE CG2 C 13 18.4 0.2 . 1 . . . . 11 ILE CG2 . 16774 1 124 . 1 1 11 11 ILE N N 15 125.2 0.2 . 1 . . . . 11 ILE N . 16774 1 125 . 1 1 12 12 VAL H H 1 8.17 0.02 . 1 . . . . 12 VAL H . 16774 1 126 . 1 1 12 12 VAL HA H 1 3.45 0.02 . 1 . . . . 12 VAL HA . 16774 1 127 . 1 1 12 12 VAL HB H 1 2.33 0.02 . 1 . . . . 12 VAL HB . 16774 1 128 . 1 1 12 12 VAL HG11 H 1 1.13 0.02 . 1 . . . . 12 VAL MG1 . 16774 1 129 . 1 1 12 12 VAL HG12 H 1 1.13 0.02 . 1 . . . . 12 VAL MG1 . 16774 1 130 . 1 1 12 12 VAL HG13 H 1 1.13 0.02 . 1 . . . . 12 VAL MG1 . 16774 1 131 . 1 1 12 12 VAL HG21 H 1 0.94 0.02 . 1 . . . . 12 VAL MG2 . 16774 1 132 . 1 1 12 12 VAL HG22 H 1 0.94 0.02 . 1 . . . . 12 VAL MG2 . 16774 1 133 . 1 1 12 12 VAL HG23 H 1 0.94 0.02 . 1 . . . . 12 VAL MG2 . 16774 1 134 . 1 1 12 12 VAL C C 13 177.1 0.2 . 1 . . . . 12 VAL C . 16774 1 135 . 1 1 12 12 VAL CA C 13 68.0 0.2 . 1 . . . . 12 VAL CA . 16774 1 136 . 1 1 12 12 VAL CB C 13 31.7 0.2 . 1 . . . . 12 VAL CB . 16774 1 137 . 1 1 12 12 VAL CG1 C 13 24.6 0.2 . 1 . . . . 12 VAL CG1 . 16774 1 138 . 1 1 12 12 VAL CG2 C 13 21.2 0.2 . 1 . . . . 12 VAL CG2 . 16774 1 139 . 1 1 12 12 VAL N N 15 121.1 0.2 . 1 . . . . 12 VAL N . 16774 1 140 . 1 1 13 13 ALA H H 1 8.06 0.02 . 1 . . . . 13 ALA H . 16774 1 141 . 1 1 13 13 ALA HA H 1 4.08 0.02 . 1 . . . . 13 ALA HA . 16774 1 142 . 1 1 13 13 ALA HB1 H 1 1.53 0.02 . 1 . . . . 13 ALA MB . 16774 1 143 . 1 1 13 13 ALA HB2 H 1 1.53 0.02 . 1 . . . . 13 ALA MB . 16774 1 144 . 1 1 13 13 ALA HB3 H 1 1.53 0.02 . 1 . . . . 13 ALA MB . 16774 1 145 . 1 1 13 13 ALA CA C 13 55.4 0.2 . 1 . . . . 13 ALA CA . 16774 1 146 . 1 1 13 13 ALA CB C 13 18.1 0.2 . 1 . . . . 13 ALA CB . 16774 1 147 . 1 1 13 13 ALA N N 15 119.3 0.2 . 1 . . . . 13 ALA N . 16774 1 148 . 1 1 14 14 TRP H H 1 7.96 0.02 . 1 . . . . 14 TRP H . 16774 1 149 . 1 1 14 14 TRP HA H 1 4.58 0.02 . 1 . . . . 14 TRP HA . 16774 1 150 . 1 1 14 14 TRP HB2 H 1 3.62 0.02 . 1 . . . . 14 TRP HB2 . 16774 1 151 . 1 1 14 14 TRP HB3 H 1 3.28 0.02 . 1 . . . . 14 TRP HB3 . 16774 1 152 . 1 1 14 14 TRP HD1 H 1 7.13 0.02 . 1 . . . . 14 TRP HD1 . 16774 1 153 . 1 1 14 14 TRP HE1 H 1 9.48 0.02 . 1 . . . . 14 TRP HE1 . 16774 1 154 . 1 1 14 14 TRP HE3 H 1 7.68 0.02 . 1 . . . . 14 TRP HE3 . 16774 1 155 . 1 1 14 14 TRP HH2 H 1 6.16 0.02 . 1 . . . . 14 TRP HH2 . 16774 1 156 . 1 1 14 14 TRP HZ2 H 1 7.18 0.02 . 1 . . . . 14 TRP HZ2 . 16774 1 157 . 1 1 14 14 TRP HZ3 H 1 6.50 0.02 . 1 . . . . 14 TRP HZ3 . 16774 1 158 . 1 1 14 14 TRP C C 13 177.9 0.2 . 1 . . . . 14 TRP C . 16774 1 159 . 1 1 14 14 TRP CA C 13 59.6 0.2 . 1 . . . . 14 TRP CA . 16774 1 160 . 1 1 14 14 TRP CB C 13 28.5 0.2 . 1 . . . . 14 TRP CB . 16774 1 161 . 1 1 14 14 TRP CD1 C 13 127.0 0.2 . 1 . . . . 14 TRP CD1 . 16774 1 162 . 1 1 14 14 TRP CE3 C 13 120.2 0.2 . 1 . . . . 14 TRP CE3 . 16774 1 163 . 1 1 14 14 TRP CH2 C 13 123.0 0.2 . 1 . . . . 14 TRP CH2 . 16774 1 164 . 1 1 14 14 TRP CZ2 C 13 115.9 0.2 . 1 . . . . 14 TRP CZ2 . 16774 1 165 . 1 1 14 14 TRP CZ3 C 13 120.3 0.2 . 1 . . . . 14 TRP CZ3 . 16774 1 166 . 1 1 14 14 TRP N N 15 122.2 0.2 . 1 . . . . 14 TRP N . 16774 1 167 . 1 1 14 14 TRP NE1 N 15 131.7 0.2 . 1 . . . . 14 TRP NE1 . 16774 1 168 . 1 1 15 15 LEU H H 1 8.45 0.02 . 1 . . . . 15 LEU H . 16774 1 169 . 1 1 15 15 LEU HA H 1 3.60 0.02 . 1 . . . . 15 LEU HA . 16774 1 170 . 1 1 15 15 LEU HB2 H 1 2.11 0.02 . 1 . . . . 15 LEU HB2 . 16774 1 171 . 1 1 15 15 LEU HB3 H 1 1.15 0.02 . 1 . . . . 15 LEU HB3 . 16774 1 172 . 1 1 15 15 LEU HD11 H 1 0.54 0.02 . 2 . . . . 15 LEU MD1 . 16774 1 173 . 1 1 15 15 LEU HD12 H 1 0.54 0.02 . 2 . . . . 15 LEU MD1 . 16774 1 174 . 1 1 15 15 LEU HD13 H 1 0.54 0.02 . 2 . . . . 15 LEU MD1 . 16774 1 175 . 1 1 15 15 LEU HD21 H 1 0.54 0.02 . 2 . . . . 15 LEU MD2 . 16774 1 176 . 1 1 15 15 LEU HD22 H 1 0.54 0.02 . 2 . . . . 15 LEU MD2 . 16774 1 177 . 1 1 15 15 LEU HD23 H 1 0.54 0.02 . 2 . . . . 15 LEU MD2 . 16774 1 178 . 1 1 15 15 LEU HG H 1 0.78 0.02 . 1 . . . . 15 LEU HG . 16774 1 179 . 1 1 15 15 LEU C C 13 179.0 0.2 . 1 . . . . 15 LEU C . 16774 1 180 . 1 1 15 15 LEU CA C 13 58.4 0.2 . 1 . . . . 15 LEU CA . 16774 1 181 . 1 1 15 15 LEU CB C 13 42.1 0.2 . 1 . . . . 15 LEU CB . 16774 1 182 . 1 1 15 15 LEU CD1 C 13 25.0 0.2 . 1 . . . . 15 LEU CD1 . 16774 1 183 . 1 1 15 15 LEU CD2 C 13 25.0 0.2 . 1 . . . . 15 LEU CD2 . 16774 1 184 . 1 1 15 15 LEU CG C 13 28.0 0.2 . 1 . . . . 15 LEU CG . 16774 1 185 . 1 1 15 15 LEU N N 15 121.1 0.2 . 1 . . . . 15 LEU N . 16774 1 186 . 1 1 16 16 ARG H H 1 8.21 0.02 . 1 . . . . 16 ARG H . 16774 1 187 . 1 1 16 16 ARG HA H 1 3.93 0.02 . 1 . . . . 16 ARG HA . 16774 1 188 . 1 1 16 16 ARG HB2 H 1 1.99 0.02 . 2 . . . . 16 ARG HB2 . 16774 1 189 . 1 1 16 16 ARG HB3 H 1 1.99 0.02 . 2 . . . . 16 ARG HB3 . 16774 1 190 . 1 1 16 16 ARG HD2 H 1 3.10 0.02 . 1 . . . . 16 ARG HD2 . 16774 1 191 . 1 1 16 16 ARG HD3 H 1 3.10 0.02 . 1 . . . . 16 ARG HD3 . 16774 1 192 . 1 1 16 16 ARG HG2 H 1 2.03 0.02 . 2 . . . . 16 ARG HG2 . 16774 1 193 . 1 1 16 16 ARG HG3 H 1 2.03 0.02 . 2 . . . . 16 ARG HG3 . 16774 1 194 . 1 1 16 16 ARG C C 13 178.5 0.2 . 1 . . . . 16 ARG C . 16774 1 195 . 1 1 16 16 ARG CA C 13 59.2 0.2 . 1 . . . . 16 ARG CA . 16774 1 196 . 1 1 16 16 ARG CB C 13 30.0 0.2 . 1 . . . . 16 ARG CB . 16774 1 197 . 1 1 16 16 ARG CD C 13 43.5 0.2 . 1 . . . . 16 ARG CD . 16774 1 198 . 1 1 16 16 ARG CG C 13 28.4 0.2 . 1 . . . . 16 ARG CG . 16774 1 199 . 1 1 16 16 ARG N N 15 116.3 0.2 . 1 . . . . 16 ARG N . 16774 1 200 . 1 1 17 17 ALA H H 1 7.95 0.02 . 1 . . . . 17 ALA H . 16774 1 201 . 1 1 17 17 ALA HA H 1 4.12 0.02 . 1 . . . . 17 ALA HA . 16774 1 202 . 1 1 17 17 ALA HB1 H 1 1.56 0.02 . 1 . . . . 17 ALA MB . 16774 1 203 . 1 1 17 17 ALA HB2 H 1 1.56 0.02 . 1 . . . . 17 ALA MB . 16774 1 204 . 1 1 17 17 ALA HB3 H 1 1.56 0.02 . 1 . . . . 17 ALA MB . 16774 1 205 . 1 1 17 17 ALA C C 13 180.1 0.2 . 1 . . . . 17 ALA C . 16774 1 206 . 1 1 17 17 ALA CA C 13 54.2 0.2 . 1 . . . . 17 ALA CA . 16774 1 207 . 1 1 17 17 ALA CB C 13 17.7 0.2 . 1 . . . . 17 ALA CB . 16774 1 208 . 1 1 17 17 ALA N N 15 120.9 0.2 . 1 . . . . 17 ALA N . 16774 1 209 . 1 1 18 18 GLY H H 1 7.68 0.02 . 1 . . . . 18 GLY H . 16774 1 210 . 1 1 18 18 GLY HA2 H 1 3.82 0.02 . 2 . . . . 18 GLY HA2 . 16774 1 211 . 1 1 18 18 GLY HA3 H 1 3.24 0.02 . 2 . . . . 18 GLY HA3 . 16774 1 212 . 1 1 18 18 GLY C C 13 173.2 0.2 . 1 . . . . 18 GLY C . 16774 1 213 . 1 1 18 18 GLY CA C 13 46.0 0.2 . 1 . . . . 18 GLY CA . 16774 1 214 . 1 1 18 18 GLY N N 15 103.5 0.2 . 1 . . . . 18 GLY N . 16774 1 215 . 1 1 19 19 TYR H H 1 7.79 0.02 . 1 . . . . 19 TYR H . 16774 1 216 . 1 1 19 19 TYR HA H 1 4.86 0.02 . 1 . . . . 19 TYR HA . 16774 1 217 . 1 1 19 19 TYR HB2 H 1 2.66 0.02 . 1 . . . . 19 TYR HB2 . 16774 1 218 . 1 1 19 19 TYR HB3 H 1 2.56 0.02 . 1 . . . . 19 TYR HB3 . 16774 1 219 . 1 1 19 19 TYR HD1 H 1 7.11 0.02 . 3 . . . . 19 TYR HD1 . 16774 1 220 . 1 1 19 19 TYR HD2 H 1 7.11 0.02 . 3 . . . . 19 TYR HD2 . 16774 1 221 . 1 1 19 19 TYR HE1 H 1 6.57 0.02 . 3 . . . . 19 TYR HE1 . 16774 1 222 . 1 1 19 19 TYR HE2 H 1 6.57 0.02 . 3 . . . . 19 TYR HE2 . 16774 1 223 . 1 1 19 19 TYR CA C 13 56.6 0.2 . 1 . . . . 19 TYR CA . 16774 1 224 . 1 1 19 19 TYR CB C 13 37.8 0.2 . 1 . . . . 19 TYR CB . 16774 1 225 . 1 1 19 19 TYR CD1 C 13 133.5 0.2 . 3 . . . . 19 TYR CD1 . 16774 1 226 . 1 1 19 19 TYR CD2 C 13 133.5 0.2 . 3 . . . . 19 TYR CD2 . 16774 1 227 . 1 1 19 19 TYR CE1 C 13 117.4 0.2 . 3 . . . . 19 TYR CE1 . 16774 1 228 . 1 1 19 19 TYR CE2 C 13 117.4 0.2 . 3 . . . . 19 TYR CE2 . 16774 1 229 . 1 1 19 19 TYR N N 15 120.1 0.2 . 1 . . . . 19 TYR N . 16774 1 230 . 1 1 20 20 PRO HA H 1 4.55 0.02 . 1 . . . . 20 PRO HA . 16774 1 231 . 1 1 20 20 PRO HB2 H 1 2.37 0.02 . 2 . . . . 20 PRO HB2 . 16774 1 232 . 1 1 20 20 PRO HB3 H 1 2.37 0.02 . 2 . . . . 20 PRO HB3 . 16774 1 233 . 1 1 20 20 PRO HD2 H 1 3.49 0.02 . 2 . . . . 20 PRO HD2 . 16774 1 234 . 1 1 20 20 PRO HD3 H 1 3.32 0.02 . 2 . . . . 20 PRO HD3 . 16774 1 235 . 1 1 20 20 PRO HG2 H 1 2.01 0.02 . 1 . . . . 20 PRO HG2 . 16774 1 236 . 1 1 20 20 PRO HG3 H 1 2.01 0.02 . 1 . . . . 20 PRO HG3 . 16774 1 237 . 1 1 20 20 PRO C C 13 178.0 0.2 . 1 . . . . 20 PRO C . 16774 1 238 . 1 1 20 20 PRO CA C 13 64.9 0.2 . 1 . . . . 20 PRO CA . 16774 1 239 . 1 1 20 20 PRO CB C 13 32.0 0.2 . 1 . . . . 20 PRO CB . 16774 1 240 . 1 1 20 20 PRO CD C 13 50.1 0.2 . 1 . . . . 20 PRO CD . 16774 1 241 . 1 1 20 20 PRO CG C 13 27.4 0.2 . 1 . . . . 20 PRO CG . 16774 1 242 . 1 1 21 21 GLU H H 1 9.03 0.02 . 1 . . . . 21 GLU H . 16774 1 243 . 1 1 21 21 GLU HA H 1 4.65 0.02 . 1 . . . . 21 GLU HA . 16774 1 244 . 1 1 21 21 GLU HB2 H 1 2.37 0.02 . 2 . . . . 21 GLU HB2 . 16774 1 245 . 1 1 21 21 GLU HB3 H 1 1.98 0.02 . 2 . . . . 21 GLU HB3 . 16774 1 246 . 1 1 21 21 GLU HG2 H 1 2.34 0.02 . 2 . . . . 21 GLU HG2 . 16774 1 247 . 1 1 21 21 GLU HG3 H 1 2.23 0.02 . 2 . . . . 21 GLU HG3 . 16774 1 248 . 1 1 21 21 GLU C C 13 176.4 0.2 . 1 . . . . 21 GLU C . 16774 1 249 . 1 1 21 21 GLU CA C 13 55.1 0.2 . 1 . . . . 21 GLU CA . 16774 1 250 . 1 1 21 21 GLU CB C 13 29.6 0.2 . 1 . . . . 21 GLU CB . 16774 1 251 . 1 1 21 21 GLU CG C 13 36.6 0.2 . 1 . . . . 21 GLU CG . 16774 1 252 . 1 1 21 21 GLU N N 15 117.3 0.2 . 1 . . . . 21 GLU N . 16774 1 253 . 1 1 22 22 GLY H H 1 7.66 0.02 . 1 . . . . 22 GLY H . 16774 1 254 . 1 1 22 22 GLY HA2 H 1 4.57 0.02 . 2 . . . . 22 GLY HA2 . 16774 1 255 . 1 1 22 22 GLY HA3 H 1 3.78 0.02 . 2 . . . . 22 GLY HA3 . 16774 1 256 . 1 1 22 22 GLY CA C 13 43.8 0.2 . 1 . . . . 22 GLY CA . 16774 1 257 . 1 1 22 22 GLY N N 15 109.2 0.2 . 1 . . . . 22 GLY N . 16774 1 258 . 1 1 23 23 ILE H H 1 8.72 0.02 . 1 . . . . 23 ILE H . 16774 1 259 . 1 1 23 23 ILE HA H 1 3.79 0.02 . 1 . . . . 23 ILE HA . 16774 1 260 . 1 1 23 23 ILE HB H 1 1.69 0.02 . 1 . . . . 23 ILE HB . 16774 1 261 . 1 1 23 23 ILE HD11 H 1 0.64 0.02 . 1 . . . . 23 ILE MD . 16774 1 262 . 1 1 23 23 ILE HD12 H 1 0.64 0.02 . 1 . . . . 23 ILE MD . 16774 1 263 . 1 1 23 23 ILE HD13 H 1 0.64 0.02 . 1 . . . . 23 ILE MD . 16774 1 264 . 1 1 23 23 ILE HG12 H 1 1.34 0.02 . 2 . . . . 23 ILE HG12 . 16774 1 265 . 1 1 23 23 ILE HG13 H 1 0.13 0.02 . 2 . . . . 23 ILE HG13 . 16774 1 266 . 1 1 23 23 ILE HG21 H 1 0.30 0.02 . 1 . . . . 23 ILE MG . 16774 1 267 . 1 1 23 23 ILE HG22 H 1 0.30 0.02 . 1 . . . . 23 ILE MG . 16774 1 268 . 1 1 23 23 ILE HG23 H 1 0.30 0.02 . 1 . . . . 23 ILE MG . 16774 1 269 . 1 1 23 23 ILE C C 13 173.1 0.2 . 1 . . . . 23 ILE C . 16774 1 270 . 1 1 23 23 ILE CA C 13 59.4 0.2 . 1 . . . . 23 ILE CA . 16774 1 271 . 1 1 23 23 ILE CB C 13 37.7 0.2 . 1 . . . . 23 ILE CB . 16774 1 272 . 1 1 23 23 ILE CD1 C 13 14.5 0.2 . 1 . . . . 23 ILE CD1 . 16774 1 273 . 1 1 23 23 ILE CG1 C 13 27.7 0.2 . 1 . . . . 23 ILE CG1 . 16774 1 274 . 1 1 23 23 ILE CG2 C 13 16.8 0.2 . 1 . . . . 23 ILE CG2 . 16774 1 275 . 1 1 23 23 ILE N N 15 123.8 0.2 . 1 . . . . 23 ILE N . 16774 1 276 . 1 1 24 24 PRO HA H 1 4.80 0.02 . 1 . . . . 24 PRO HA . 16774 1 277 . 1 1 24 24 PRO HB2 H 1 2.44 0.02 . 2 . . . . 24 PRO HB2 . 16774 1 278 . 1 1 24 24 PRO HB3 H 1 1.97 0.02 . 2 . . . . 24 PRO HB3 . 16774 1 279 . 1 1 24 24 PRO HD2 H 1 4.21 0.02 . 1 . . . . 24 PRO HD2 . 16774 1 280 . 1 1 24 24 PRO HD3 H 1 3.66 0.02 . 1 . . . . 24 PRO HD3 . 16774 1 281 . 1 1 24 24 PRO HG2 H 1 2.18 0.02 . 1 . . . . 24 PRO HG2 . 16774 1 282 . 1 1 24 24 PRO HG3 H 1 1.90 0.02 . 1 . . . . 24 PRO HG3 . 16774 1 283 . 1 1 24 24 PRO CA C 13 61.5 0.2 . 1 . . . . 24 PRO CA . 16774 1 284 . 1 1 24 24 PRO CB C 13 31.4 0.2 . 1 . . . . 24 PRO CB . 16774 1 285 . 1 1 24 24 PRO CD C 13 51.7 0.2 . 1 . . . . 24 PRO CD . 16774 1 286 . 1 1 24 24 PRO CG C 13 27.1 0.2 . 1 . . . . 24 PRO CG . 16774 1 287 . 1 1 25 25 PRO HA H 1 4.37 0.02 . 1 . . . . 25 PRO HA . 16774 1 288 . 1 1 25 25 PRO HB2 H 1 2.39 0.02 . 2 . . . . 25 PRO HB2 . 16774 1 289 . 1 1 25 25 PRO HB3 H 1 1.98 0.02 . 2 . . . . 25 PRO HB3 . 16774 1 290 . 1 1 25 25 PRO HD2 H 1 3.85 0.02 . 1 . . . . 25 PRO HD2 . 16774 1 291 . 1 1 25 25 PRO HD3 H 1 3.85 0.02 . 1 . . . . 25 PRO HD3 . 16774 1 292 . 1 1 25 25 PRO HG2 H 1 2.11 0.02 . 2 . . . . 25 PRO HG2 . 16774 1 293 . 1 1 25 25 PRO HG3 H 1 2.11 0.02 . 2 . . . . 25 PRO HG3 . 16774 1 294 . 1 1 25 25 PRO C C 13 178.4 0.2 . 1 . . . . 25 PRO C . 16774 1 295 . 1 1 25 25 PRO CA C 13 64.9 0.2 . 1 . . . . 25 PRO CA . 16774 1 296 . 1 1 25 25 PRO CB C 13 31.6 0.2 . 1 . . . . 25 PRO CB . 16774 1 297 . 1 1 25 25 PRO CD C 13 50.6 0.2 . 1 . . . . 25 PRO CD . 16774 1 298 . 1 1 25 25 PRO CG C 13 27.8 0.2 . 1 . . . . 25 PRO CG . 16774 1 299 . 1 1 26 26 THR H H 1 7.13 0.02 . 1 . . . . 26 THR H . 16774 1 300 . 1 1 26 26 THR HA H 1 4.12 0.02 . 1 . . . . 26 THR HA . 16774 1 301 . 1 1 26 26 THR HB H 1 4.33 0.02 . 1 . . . . 26 THR HB . 16774 1 302 . 1 1 26 26 THR HG21 H 1 1.31 0.02 . 1 . . . . 26 THR MG . 16774 1 303 . 1 1 26 26 THR HG22 H 1 1.31 0.02 . 1 . . . . 26 THR MG . 16774 1 304 . 1 1 26 26 THR HG23 H 1 1.31 0.02 . 1 . . . . 26 THR MG . 16774 1 305 . 1 1 26 26 THR C C 13 176.0 0.2 . 1 . . . . 26 THR C . 16774 1 306 . 1 1 26 26 THR CA C 13 63.2 0.2 . 1 . . . . 26 THR CA . 16774 1 307 . 1 1 26 26 THR CB C 13 68.9 0.2 . 1 . . . . 26 THR CB . 16774 1 308 . 1 1 26 26 THR CG2 C 13 22.4 0.2 . 1 . . . . 26 THR CG2 . 16774 1 309 . 1 1 26 26 THR N N 15 104.8 0.2 . 1 . . . . 26 THR N . 16774 1 310 . 1 1 27 27 ASP H H 1 8.10 0.02 . 1 . . . . 27 ASP H . 16774 1 311 . 1 1 27 27 ASP HB2 H 1 2.86 0.02 . 2 . . . . 27 ASP HB2 . 16774 1 312 . 1 1 27 27 ASP HB3 H 1 2.39 0.02 . 2 . . . . 27 ASP HB3 . 16774 1 313 . 1 1 27 27 ASP C C 13 175.8 0.2 . 1 . . . . 27 ASP C . 16774 1 314 . 1 1 27 27 ASP CA C 13 54.2 0.2 . 1 . . . . 27 ASP CA . 16774 1 315 . 1 1 27 27 ASP CB C 13 41.4 0.2 . 1 . . . . 27 ASP CB . 16774 1 316 . 1 1 27 27 ASP N N 15 121.4 0.2 . 1 . . . . 27 ASP N . 16774 1 317 . 1 1 28 28 SER H H 1 7.36 0.02 . 1 . . . . 28 SER H . 16774 1 318 . 1 1 28 28 SER HB2 H 1 3.68 0.02 . 2 . . . . 28 SER HB2 . 16774 1 319 . 1 1 28 28 SER HB3 H 1 3.62 0.02 . 2 . . . . 28 SER HB3 . 16774 1 320 . 1 1 28 28 SER CA C 13 62.7 0.2 . 1 . . . . 28 SER CA . 16774 1 321 . 1 1 28 28 SER CB C 13 62.9 0.2 . 1 . . . . 28 SER CB . 16774 1 322 . 1 1 28 28 SER N N 15 115.9 0.2 . 1 . . . . 28 SER N . 16774 1 323 . 1 1 29 29 PHE H H 1 8.59 0.02 . 1 . . . . 29 PHE H . 16774 1 324 . 1 1 29 29 PHE HA H 1 4.41 0.02 . 1 . . . . 29 PHE HA . 16774 1 325 . 1 1 29 29 PHE HB2 H 1 3.36 0.02 . 2 . . . . 29 PHE HB2 . 16774 1 326 . 1 1 29 29 PHE HB3 H 1 2.91 0.02 . 2 . . . . 29 PHE HB3 . 16774 1 327 . 1 1 29 29 PHE HD1 H 1 7.22 0.02 . 3 . . . . 29 PHE HD1 . 16774 1 328 . 1 1 29 29 PHE HD2 H 1 7.22 0.02 . 3 . . . . 29 PHE HD2 . 16774 1 329 . 1 1 29 29 PHE HE1 H 1 7.44 0.02 . 3 . . . . 29 PHE HE1 . 16774 1 330 . 1 1 29 29 PHE HE2 H 1 7.44 0.02 . 3 . . . . 29 PHE HE2 . 16774 1 331 . 1 1 29 29 PHE CA C 13 60.2 0.2 . 1 . . . . 29 PHE CA . 16774 1 332 . 1 1 29 29 PHE CB C 13 37.2 0.2 . 1 . . . . 29 PHE CB . 16774 1 333 . 1 1 29 29 PHE CD1 C 13 129.9 0.2 . 3 . . . . 29 PHE CD1 . 16774 1 334 . 1 1 29 29 PHE CD2 C 13 129.9 0.2 . 3 . . . . 29 PHE CD2 . 16774 1 335 . 1 1 29 29 PHE CE1 C 13 132.1 0.2 . 3 . . . . 29 PHE CE1 . 16774 1 336 . 1 1 29 29 PHE CE2 C 13 132.1 0.2 . 3 . . . . 29 PHE CE2 . 16774 1 337 . 1 1 29 29 PHE N N 15 119.9 0.2 . 1 . . . . 29 PHE N . 16774 1 338 . 1 1 30 30 ALA H H 1 8.46 0.02 . 1 . . . . 30 ALA H . 16774 1 339 . 1 1 30 30 ALA HA H 1 3.91 0.02 . 1 . . . . 30 ALA HA . 16774 1 340 . 1 1 30 30 ALA HB1 H 1 1.41 0.02 . 1 . . . . 30 ALA MB . 16774 1 341 . 1 1 30 30 ALA HB2 H 1 1.41 0.02 . 1 . . . . 30 ALA MB . 16774 1 342 . 1 1 30 30 ALA HB3 H 1 1.41 0.02 . 1 . . . . 30 ALA MB . 16774 1 343 . 1 1 30 30 ALA C C 13 178.6 0.2 . 1 . . . . 30 ALA C . 16774 1 344 . 1 1 30 30 ALA CA C 13 55.5 0.2 . 1 . . . . 30 ALA CA . 16774 1 345 . 1 1 30 30 ALA CB C 13 18.7 0.2 . 1 . . . . 30 ALA CB . 16774 1 346 . 1 1 30 30 ALA N N 15 122.0 0.2 . 1 . . . . 30 ALA N . 16774 1 347 . 1 1 31 31 VAL H H 1 8.36 0.02 . 1 . . . . 31 VAL H . 16774 1 348 . 1 1 31 31 VAL HA H 1 3.55 0.02 . 1 . . . . 31 VAL HA . 16774 1 349 . 1 1 31 31 VAL HB H 1 2.30 0.02 . 1 . . . . 31 VAL HB . 16774 1 350 . 1 1 31 31 VAL HG11 H 1 1.06 0.02 . 1 . . . . 31 VAL MG1 . 16774 1 351 . 1 1 31 31 VAL HG12 H 1 1.06 0.02 . 1 . . . . 31 VAL MG1 . 16774 1 352 . 1 1 31 31 VAL HG13 H 1 1.06 0.02 . 1 . . . . 31 VAL MG1 . 16774 1 353 . 1 1 31 31 VAL HG21 H 1 0.87 0.02 . 1 . . . . 31 VAL MG2 . 16774 1 354 . 1 1 31 31 VAL HG22 H 1 0.87 0.02 . 1 . . . . 31 VAL MG2 . 16774 1 355 . 1 1 31 31 VAL HG23 H 1 0.87 0.02 . 1 . . . . 31 VAL MG2 . 16774 1 356 . 1 1 31 31 VAL C C 13 177.5 0.2 . 1 . . . . 31 VAL C . 16774 1 357 . 1 1 31 31 VAL CA C 13 67.5 0.2 . 1 . . . . 31 VAL CA . 16774 1 358 . 1 1 31 31 VAL CB C 13 31.9 0.2 . 1 . . . . 31 VAL CB . 16774 1 359 . 1 1 31 31 VAL CG1 C 13 24.5 0.2 . 2 . . . . 31 VAL CG1 . 16774 1 360 . 1 1 31 31 VAL CG2 C 13 21.4 0.2 . 2 . . . . 31 VAL CG2 . 16774 1 361 . 1 1 31 31 VAL N N 15 116.6 0.2 . 1 . . . . 31 VAL N . 16774 1 362 . 1 1 32 32 LEU H H 1 7.95 0.02 . 1 . . . . 32 LEU H . 16774 1 363 . 1 1 32 32 LEU HA H 1 4.03 0.02 . 1 . . . . 32 LEU HA . 16774 1 364 . 1 1 32 32 LEU HB2 H 1 2.42 0.02 . 1 . . . . 32 LEU HB2 . 16774 1 365 . 1 1 32 32 LEU HB3 H 1 1.44 0.02 . 1 . . . . 32 LEU HB3 . 16774 1 366 . 1 1 32 32 LEU HD11 H 1 0.59 0.02 . 2 . . . . 32 LEU MD1 . 16774 1 367 . 1 1 32 32 LEU HD12 H 1 0.59 0.02 . 2 . . . . 32 LEU MD1 . 16774 1 368 . 1 1 32 32 LEU HD13 H 1 0.59 0.02 . 2 . . . . 32 LEU MD1 . 16774 1 369 . 1 1 32 32 LEU HD21 H 1 0.59 0.02 . 2 . . . . 32 LEU MD2 . 16774 1 370 . 1 1 32 32 LEU HD22 H 1 0.59 0.02 . 2 . . . . 32 LEU MD2 . 16774 1 371 . 1 1 32 32 LEU HD23 H 1 0.59 0.02 . 2 . . . . 32 LEU MD2 . 16774 1 372 . 1 1 32 32 LEU HG H 1 0.85 0.02 . 1 . . . . 32 LEU HG . 16774 1 373 . 1 1 32 32 LEU C C 13 178.5 0.2 . 1 . . . . 32 LEU C . 16774 1 374 . 1 1 32 32 LEU CA C 13 58.4 0.2 . 1 . . . . 32 LEU CA . 16774 1 375 . 1 1 32 32 LEU CB C 13 41.7 0.2 . 1 . . . . 32 LEU CB . 16774 1 376 . 1 1 32 32 LEU CD1 C 13 21.9 0.2 . 1 . . . . 32 LEU CD1 . 16774 1 377 . 1 1 32 32 LEU CD2 C 13 21.9 0.2 . 1 . . . . 32 LEU CD2 . 16774 1 378 . 1 1 32 32 LEU CG C 13 26.2 0.2 . 1 . . . . 32 LEU CG . 16774 1 379 . 1 1 32 32 LEU N N 15 116.8 0.2 . 1 . . . . 32 LEU N . 16774 1 380 . 1 1 33 33 ALA H H 1 8.85 0.02 . 1 . . . . 33 ALA H . 16774 1 381 . 1 1 33 33 ALA HA H 1 3.87 0.02 . 1 . . . . 33 ALA HA . 16774 1 382 . 1 1 33 33 ALA HB1 H 1 0.97 0.02 . 1 . . . . 33 ALA MB . 16774 1 383 . 1 1 33 33 ALA HB2 H 1 0.97 0.02 . 1 . . . . 33 ALA MB . 16774 1 384 . 1 1 33 33 ALA HB3 H 1 0.97 0.02 . 1 . . . . 33 ALA MB . 16774 1 385 . 1 1 33 33 ALA CA C 13 55.8 0.2 . 1 . . . . 33 ALA CA . 16774 1 386 . 1 1 33 33 ALA CB C 13 17.9 0.2 . 1 . . . . 33 ALA CB . 16774 1 387 . 1 1 33 33 ALA N N 15 122.7 0.2 . 1 . . . . 33 ALA N . 16774 1 388 . 1 1 34 34 LEU H H 1 8.16 0.02 . 1 . . . . 34 LEU H . 16774 1 389 . 1 1 34 34 LEU HA H 1 4.05 0.02 . 1 . . . . 34 LEU HA . 16774 1 390 . 1 1 34 34 LEU HB2 H 1 2.06 0.02 . 1 . . . . 34 LEU HB2 . 16774 1 391 . 1 1 34 34 LEU HB3 H 1 1.84 0.02 . 1 . . . . 34 LEU HB3 . 16774 1 392 . 1 1 34 34 LEU HG H 1 1.10 0.02 . 1 . . . . 34 LEU HG . 16774 1 393 . 1 1 34 34 LEU CA C 13 58.5 0.2 . 1 . . . . 34 LEU CA . 16774 1 394 . 1 1 34 34 LEU CB C 13 42.2 0.2 . 1 . . . . 34 LEU CB . 16774 1 395 . 1 1 34 34 LEU CG C 13 25.0 0.2 . 1 . . . . 34 LEU CG . 16774 1 396 . 1 1 34 34 LEU N N 15 119.1 0.2 . 1 . . . . 34 LEU N . 16774 1 397 . 1 1 35 35 LEU H H 1 8.25 0.02 . 1 . . . . 35 LEU H . 16774 1 398 . 1 1 35 35 LEU HA H 1 4.11 0.02 . 1 . . . . 35 LEU HA . 16774 1 399 . 1 1 35 35 LEU HB2 H 1 2.31 0.02 . 2 . . . . 35 LEU HB2 . 16774 1 400 . 1 1 35 35 LEU HB3 H 1 1.51 0.02 . 2 . . . . 35 LEU HB3 . 16774 1 401 . 1 1 35 35 LEU HD11 H 1 0.97 0.02 . 2 . . . . 35 LEU MD1 . 16774 1 402 . 1 1 35 35 LEU HD12 H 1 0.97 0.02 . 2 . . . . 35 LEU MD1 . 16774 1 403 . 1 1 35 35 LEU HD13 H 1 0.97 0.02 . 2 . . . . 35 LEU MD1 . 16774 1 404 . 1 1 35 35 LEU HD21 H 1 0.97 0.02 . 2 . . . . 35 LEU MD2 . 16774 1 405 . 1 1 35 35 LEU HD22 H 1 0.97 0.02 . 2 . . . . 35 LEU MD2 . 16774 1 406 . 1 1 35 35 LEU HD23 H 1 0.97 0.02 . 2 . . . . 35 LEU MD2 . 16774 1 407 . 1 1 35 35 LEU HG H 1 0.84 0.02 . 1 . . . . 35 LEU HG . 16774 1 408 . 1 1 35 35 LEU C C 13 179.3 0.2 . 1 . . . . 35 LEU C . 16774 1 409 . 1 1 35 35 LEU CA C 13 58.4 0.2 . 1 . . . . 35 LEU CA . 16774 1 410 . 1 1 35 35 LEU CB C 13 42.3 0.2 . 1 . . . . 35 LEU CB . 16774 1 411 . 1 1 35 35 LEU CD1 C 13 22.5 0.2 . 2 . . . . 35 LEU CD1 . 16774 1 412 . 1 1 35 35 LEU CD2 C 13 22.4 0.2 . 2 . . . . 35 LEU CD2 . 16774 1 413 . 1 1 35 35 LEU CG C 13 25.5 0.2 . 1 . . . . 35 LEU CG . 16774 1 414 . 1 1 35 35 LEU N N 15 117.1 0.2 . 1 . . . . 35 LEU N . 16774 1 415 . 1 1 36 36 CYS H H 1 8.58 0.02 . 1 . . . . 36 CYS H . 16774 1 416 . 1 1 36 36 CYS HA H 1 4.47 0.02 . 1 . . . . 36 CYS HA . 16774 1 417 . 1 1 36 36 CYS HB2 H 1 3.34 0.02 . 1 . . . . 36 CYS HB2 . 16774 1 418 . 1 1 36 36 CYS HB3 H 1 3.34 0.02 . 1 . . . . 36 CYS HB3 . 16774 1 419 . 1 1 36 36 CYS C C 13 175.1 0.2 . 1 . . . . 36 CYS C . 16774 1 420 . 1 1 36 36 CYS CA C 13 62.8 0.2 . 1 . . . . 36 CYS CA . 16774 1 421 . 1 1 36 36 CYS CB C 13 28.0 0.2 . 1 . . . . 36 CYS CB . 16774 1 422 . 1 1 36 36 CYS N N 15 115.8 0.2 . 1 . . . . 36 CYS N . 16774 1 423 . 1 1 37 37 ARG H H 1 7.54 0.02 . 1 . . . . 37 ARG H . 16774 1 424 . 1 1 37 37 ARG HA H 1 4.33 0.02 . 1 . . . . 37 ARG HA . 16774 1 425 . 1 1 37 37 ARG HB2 H 1 2.13 0.02 . 2 . . . . 37 ARG HB2 . 16774 1 426 . 1 1 37 37 ARG HB3 H 1 2.13 0.02 . 2 . . . . 37 ARG HB3 . 16774 1 427 . 1 1 37 37 ARG HD2 H 1 3.27 0.02 . 2 . . . . 37 ARG HD2 . 16774 1 428 . 1 1 37 37 ARG HD3 H 1 3.27 0.02 . 2 . . . . 37 ARG HD3 . 16774 1 429 . 1 1 37 37 ARG HG2 H 1 2.17 0.02 . 2 . . . . 37 ARG HG2 . 16774 1 430 . 1 1 37 37 ARG HG3 H 1 1.88 0.02 . 2 . . . . 37 ARG HG3 . 16774 1 431 . 1 1 37 37 ARG C C 13 177.2 0.2 . 1 . . . . 37 ARG C . 16774 1 432 . 1 1 37 37 ARG CA C 13 58.5 0.2 . 1 . . . . 37 ARG CA . 16774 1 433 . 1 1 37 37 ARG CB C 13 30.6 0.2 . 1 . . . . 37 ARG CB . 16774 1 434 . 1 1 37 37 ARG CD C 13 44.0 0.2 . 1 . . . . 37 ARG CD . 16774 1 435 . 1 1 37 37 ARG CG C 13 27.5 0.2 . 1 . . . . 37 ARG CG . 16774 1 436 . 1 1 37 37 ARG N N 15 116.7 0.2 . 1 . . . . 37 ARG N . 16774 1 437 . 1 1 38 38 ARG H H 1 7.40 0.02 . 1 . . . . 38 ARG H . 16774 1 438 . 1 1 38 38 ARG HA H 1 4.81 0.02 . 1 . . . . 38 ARG HA . 16774 1 439 . 1 1 38 38 ARG HB2 H 1 2.05 0.02 . 2 . . . . 38 ARG HB2 . 16774 1 440 . 1 1 38 38 ARG HB3 H 1 1.72 0.02 . 2 . . . . 38 ARG HB3 . 16774 1 441 . 1 1 38 38 ARG HD2 H 1 3.36 0.02 . 2 . . . . 38 ARG HD2 . 16774 1 442 . 1 1 38 38 ARG HD3 H 1 3.36 0.02 . 2 . . . . 38 ARG HD3 . 16774 1 443 . 1 1 38 38 ARG HG2 H 1 1.77 0.02 . 2 . . . . 38 ARG HG2 . 16774 1 444 . 1 1 38 38 ARG HG3 H 1 1.70 0.02 . 2 . . . . 38 ARG HG3 . 16774 1 445 . 1 1 38 38 ARG C C 13 174.6 0.2 . 1 . . . . 38 ARG C . 16774 1 446 . 1 1 38 38 ARG CA C 13 54.5 0.2 . 1 . . . . 38 ARG CA . 16774 1 447 . 1 1 38 38 ARG CB C 13 34.3 0.2 . 1 . . . . 38 ARG CB . 16774 1 448 . 1 1 38 38 ARG CD C 13 42.3 0.2 . 1 . . . . 38 ARG CD . 16774 1 449 . 1 1 38 38 ARG CG C 13 27.0 0.2 . 1 . . . . 38 ARG CG . 16774 1 450 . 1 1 38 38 ARG N N 15 114.2 0.2 . 1 . . . . 38 ARG N . 16774 1 451 . 1 1 39 39 LEU H H 1 8.36 0.02 . 1 . . . . 39 LEU H . 16774 1 452 . 1 1 39 39 LEU HA H 1 4.80 0.02 . 1 . . . . 39 LEU HA . 16774 1 453 . 1 1 39 39 LEU HB2 H 1 1.93 0.02 . 2 . . . . 39 LEU HB2 . 16774 1 454 . 1 1 39 39 LEU HB3 H 1 1.76 0.02 . 2 . . . . 39 LEU HB3 . 16774 1 455 . 1 1 39 39 LEU HD11 H 1 0.95 0.02 . 2 . . . . 39 LEU MD1 . 16774 1 456 . 1 1 39 39 LEU HD12 H 1 0.95 0.02 . 2 . . . . 39 LEU MD1 . 16774 1 457 . 1 1 39 39 LEU HD13 H 1 0.95 0.02 . 2 . . . . 39 LEU MD1 . 16774 1 458 . 1 1 39 39 LEU HD21 H 1 0.95 0.02 . 2 . . . . 39 LEU MD2 . 16774 1 459 . 1 1 39 39 LEU HD22 H 1 0.95 0.02 . 2 . . . . 39 LEU MD2 . 16774 1 460 . 1 1 39 39 LEU HD23 H 1 0.95 0.02 . 2 . . . . 39 LEU MD2 . 16774 1 461 . 1 1 39 39 LEU HG H 1 0.90 0.02 . 1 . . . . 39 LEU HG . 16774 1 462 . 1 1 39 39 LEU C C 13 176.3 0.2 . 1 . . . . 39 LEU C . 16774 1 463 . 1 1 39 39 LEU CA C 13 53.7 0.2 . 1 . . . . 39 LEU CA . 16774 1 464 . 1 1 39 39 LEU CB C 13 43.5 0.2 . 1 . . . . 39 LEU CB . 16774 1 465 . 1 1 39 39 LEU CD1 C 13 23.9 0.2 . 2 . . . . 39 LEU CD1 . 16774 1 466 . 1 1 39 39 LEU CD2 C 13 23.9 0.2 . 2 . . . . 39 LEU CD2 . 16774 1 467 . 1 1 39 39 LEU CG C 13 25.9 0.2 . 1 . . . . 39 LEU CG . 16774 1 468 . 1 1 39 39 LEU N N 15 120.8 0.2 . 1 . . . . 39 LEU N . 16774 1 469 . 1 1 40 40 SER H H 1 9.35 0.02 . 1 . . . . 40 SER H . 16774 1 470 . 1 1 40 40 SER HA H 1 4.55 0.02 . 1 . . . . 40 SER HA . 16774 1 471 . 1 1 40 40 SER HB2 H 1 4.07 0.02 . 2 . . . . 40 SER HB2 . 16774 1 472 . 1 1 40 40 SER HB3 H 1 4.07 0.02 . 2 . . . . 40 SER HB3 . 16774 1 473 . 1 1 40 40 SER C C 13 175.4 0.2 . 1 . . . . 40 SER C . 16774 1 474 . 1 1 40 40 SER CA C 13 57.3 0.2 . 1 . . . . 40 SER CA . 16774 1 475 . 1 1 40 40 SER CB C 13 65.4 0.2 . 1 . . . . 40 SER CB . 16774 1 476 . 1 1 40 40 SER N N 15 117.0 0.2 . 1 . . . . 40 SER N . 16774 1 477 . 1 1 41 41 HIS H H 1 9.33 0.2 . 1 . . . . 41 HIS H . 16774 1 478 . 1 1 41 41 HIS HA H 1 4.28 0.02 . 1 . . . . 41 HIS HA . 16774 1 479 . 1 1 41 41 HIS HB2 H 1 3.24 0.02 . 2 . . . . 41 HIS HB2 . 16774 1 480 . 1 1 41 41 HIS HB3 H 1 3.04 0.02 . 2 . . . . 41 HIS HB3 . 16774 1 481 . 1 1 41 41 HIS HD2 H 1 7.04 0.02 . 1 . . . . 41 HIS HD2 . 16774 1 482 . 1 1 41 41 HIS C C 13 177.5 0.2 . 1 . . . . 41 HIS C . 16774 1 483 . 1 1 41 41 HIS CA C 13 59.7 0.2 . 1 . . . . 41 HIS CA . 16774 1 484 . 1 1 41 41 HIS CB C 13 30.7 0.2 . 1 . . . . 41 HIS CB . 16774 1 485 . 1 1 41 41 HIS CD2 C 13 119.9 0.2 . 1 . . . . 41 HIS CD2 . 16774 1 486 . 1 1 41 41 HIS N N 15 121.1 0.2 . 1 . . . . 41 HIS N . 16774 1 487 . 1 1 42 42 ASP H H 1 8.60 0.02 . 1 . . . . 42 ASP H . 16774 1 488 . 1 1 42 42 ASP HA H 1 4.42 0.02 . 1 . . . . 42 ASP HA . 16774 1 489 . 1 1 42 42 ASP HB2 H 1 2.65 0.02 . 2 . . . . 42 ASP HB2 . 16774 1 490 . 1 1 42 42 ASP HB3 H 1 2.58 0.02 . 2 . . . . 42 ASP HB3 . 16774 1 491 . 1 1 42 42 ASP C C 13 179.4 0.2 . 1 . . . . 42 ASP C . 16774 1 492 . 1 1 42 42 ASP CA C 13 57.8 0.2 . 1 . . . . 42 ASP CA . 16774 1 493 . 1 1 42 42 ASP CB C 13 40.5 0.2 . 1 . . . . 42 ASP CB . 16774 1 494 . 1 1 42 42 ASP N N 15 117.2 0.2 . 1 . . . . 42 ASP N . 16774 1 495 . 1 1 43 43 GLU H H 1 7.82 0.02 . 1 . . . . 43 GLU H . 16774 1 496 . 1 1 43 43 GLU HA H 1 4.06 0.02 . 1 . . . . 43 GLU HA . 16774 1 497 . 1 1 43 43 GLU HB2 H 1 2.73 0.02 . 2 . . . . 43 GLU HB2 . 16774 1 498 . 1 1 43 43 GLU HB3 H 1 1.99 0.02 . 2 . . . . 43 GLU HB3 . 16774 1 499 . 1 1 43 43 GLU HG2 H 1 2.57 0.02 . 2 . . . . 43 GLU HG2 . 16774 1 500 . 1 1 43 43 GLU HG3 H 1 2.36 0.02 . 2 . . . . 43 GLU HG3 . 16774 1 501 . 1 1 43 43 GLU C C 13 178.0 0.2 . 1 . . . . 43 GLU C . 16774 1 502 . 1 1 43 43 GLU CA C 13 59.5 0.2 . 1 . . . . 43 GLU CA . 16774 1 503 . 1 1 43 43 GLU CB C 13 31.1 0.2 . 1 . . . . 43 GLU CB . 16774 1 504 . 1 1 43 43 GLU CG C 13 38.0 0.2 . 1 . . . . 43 GLU CG . 16774 1 505 . 1 1 43 43 GLU N N 15 122.1 0.2 . 1 . . . . 43 GLU N . 16774 1 506 . 1 1 44 44 VAL H H 1 8.80 0.02 . 1 . . . . 44 VAL H . 16774 1 507 . 1 1 44 44 VAL HA H 1 3.27 0.02 . 1 . . . . 44 VAL HA . 16774 1 508 . 1 1 44 44 VAL HB H 1 2.14 0.02 . 1 . . . . 44 VAL HB . 16774 1 509 . 1 1 44 44 VAL HG11 H 1 1.21 0.02 . 1 . . . . 44 VAL MG1 . 16774 1 510 . 1 1 44 44 VAL HG12 H 1 1.21 0.02 . 1 . . . . 44 VAL MG1 . 16774 1 511 . 1 1 44 44 VAL HG13 H 1 1.21 0.02 . 1 . . . . 44 VAL MG1 . 16774 1 512 . 1 1 44 44 VAL HG21 H 1 0.85 0.02 . 1 . . . . 44 VAL MG2 . 16774 1 513 . 1 1 44 44 VAL HG22 H 1 0.85 0.02 . 1 . . . . 44 VAL MG2 . 16774 1 514 . 1 1 44 44 VAL HG23 H 1 0.85 0.02 . 1 . . . . 44 VAL MG2 . 16774 1 515 . 1 1 44 44 VAL C C 13 177.7 0.2 . 1 . . . . 44 VAL C . 16774 1 516 . 1 1 44 44 VAL CA C 13 67.9 0.2 . 1 . . . . 44 VAL CA . 16774 1 517 . 1 1 44 44 VAL CB C 13 31.6 0.2 . 1 . . . . 44 VAL CB . 16774 1 518 . 1 1 44 44 VAL CG1 C 13 25.0 0.2 . 1 . . . . 44 VAL CG1 . 16774 1 519 . 1 1 44 44 VAL CG2 C 13 22.3 0.2 . 1 . . . . 44 VAL CG2 . 16774 1 520 . 1 1 44 44 VAL N N 15 119.8 0.2 . 1 . . . . 44 VAL N . 16774 1 521 . 1 1 45 45 LYS H H 1 8.28 0.02 . 1 . . . . 45 LYS H . 16774 1 522 . 1 1 45 45 LYS HA H 1 3.69 0.02 . 1 . . . . 45 LYS HA . 16774 1 523 . 1 1 45 45 LYS HB2 H 1 1.88 0.02 . 1 . . . . 45 LYS HB2 . 16774 1 524 . 1 1 45 45 LYS HB3 H 1 1.84 0.02 . 1 . . . . 45 LYS HB3 . 16774 1 525 . 1 1 45 45 LYS HG2 H 1 0.86 0.02 . 2 . . . . 45 LYS HG2 . 16774 1 526 . 1 1 45 45 LYS HG3 H 1 0.86 0.02 . 2 . . . . 45 LYS HG3 . 16774 1 527 . 1 1 45 45 LYS C C 13 177.7 0.2 . 1 . . . . 45 LYS C . 16774 1 528 . 1 1 45 45 LYS CA C 13 60.6 0.2 . 1 . . . . 45 LYS CA . 16774 1 529 . 1 1 45 45 LYS CB C 13 32.3 0.2 . 1 . . . . 45 LYS CB . 16774 1 530 . 1 1 45 45 LYS CG C 13 25.8 0.2 . 1 . . . . 45 LYS CG . 16774 1 531 . 1 1 45 45 LYS N N 15 117.6 0.2 . 1 . . . . 45 LYS N . 16774 1 532 . 1 1 46 46 ALA H H 1 7.68 0.02 . 1 . . . . 46 ALA H . 16774 1 533 . 1 1 46 46 ALA HA H 1 4.16 0.02 . 1 . . . . 46 ALA HA . 16774 1 534 . 1 1 46 46 ALA HB1 H 1 1.56 0.02 . 1 . . . . 46 ALA MB . 16774 1 535 . 1 1 46 46 ALA HB2 H 1 1.56 0.02 . 1 . . . . 46 ALA MB . 16774 1 536 . 1 1 46 46 ALA HB3 H 1 1.56 0.02 . 1 . . . . 46 ALA MB . 16774 1 537 . 1 1 46 46 ALA CA C 13 55.4 0.2 . 1 . . . . 46 ALA CA . 16774 1 538 . 1 1 46 46 ALA CB C 13 18.1 0.2 . 1 . . . . 46 ALA CB . 16774 1 539 . 1 1 46 46 ALA N N 15 121.1 0.2 . 1 . . . . 46 ALA N . 16774 1 540 . 1 1 47 47 VAL H H 1 8.13 0.02 . 1 . . . . 47 VAL H . 16774 1 541 . 1 1 47 47 VAL HA H 1 3.34 0.02 . 1 . . . . 47 VAL HA . 16774 1 542 . 1 1 47 47 VAL HB H 1 2.09 0.02 . 1 . . . . 47 VAL HB . 16774 1 543 . 1 1 47 47 VAL HG11 H 1 1.03 0.02 . 2 . . . . 47 VAL MG1 . 16774 1 544 . 1 1 47 47 VAL HG12 H 1 1.03 0.02 . 2 . . . . 47 VAL MG1 . 16774 1 545 . 1 1 47 47 VAL HG13 H 1 1.03 0.02 . 2 . . . . 47 VAL MG1 . 16774 1 546 . 1 1 47 47 VAL HG21 H 1 0.74 0.02 . 2 . . . . 47 VAL MG2 . 16774 1 547 . 1 1 47 47 VAL HG22 H 1 0.74 0.02 . 2 . . . . 47 VAL MG2 . 16774 1 548 . 1 1 47 47 VAL HG23 H 1 0.74 0.02 . 2 . . . . 47 VAL MG2 . 16774 1 549 . 1 1 47 47 VAL C C 13 177.1 0.2 . 1 . . . . 47 VAL C . 16774 1 550 . 1 1 47 47 VAL CA C 13 66.6 0.2 . 1 . . . . 47 VAL CA . 16774 1 551 . 1 1 47 47 VAL CB C 13 32.2 0.2 . 1 . . . . 47 VAL CB . 16774 1 552 . 1 1 47 47 VAL CG1 C 13 23.9 0.2 . 2 . . . . 47 VAL CG1 . 16774 1 553 . 1 1 47 47 VAL CG2 C 13 21.4 0.2 . 2 . . . . 47 VAL CG2 . 16774 1 554 . 1 1 47 47 VAL N N 15 118.7 0.2 . 1 . . . . 47 VAL N . 16774 1 555 . 1 1 48 48 ALA H H 1 8.89 0.02 . 1 . . . . 48 ALA H . 16774 1 556 . 1 1 48 48 ALA HA H 1 3.63 0.02 . 1 . . . . 48 ALA HA . 16774 1 557 . 1 1 48 48 ALA HB1 H 1 1.07 0.02 . 1 . . . . 48 ALA MB . 16774 1 558 . 1 1 48 48 ALA HB2 H 1 1.07 0.02 . 1 . . . . 48 ALA MB . 16774 1 559 . 1 1 48 48 ALA HB3 H 1 1.07 0.02 . 1 . . . . 48 ALA MB . 16774 1 560 . 1 1 48 48 ALA C C 13 178.9 0.2 . 1 . . . . 48 ALA C . 16774 1 561 . 1 1 48 48 ALA CA C 13 55.3 0.2 . 1 . . . . 48 ALA CA . 16774 1 562 . 1 1 48 48 ALA CB C 13 17.9 0.2 . 1 . . . . 48 ALA CB . 16774 1 563 . 1 1 48 48 ALA N N 15 120.5 0.2 . 1 . . . . 48 ALA N . 16774 1 564 . 1 1 49 49 ASN H H 1 8.82 0.02 . 1 . . . . 49 ASN H . 16774 1 565 . 1 1 49 49 ASN HA H 1 4.61 0.02 . 1 . . . . 49 ASN HA . 16774 1 566 . 1 1 49 49 ASN HB2 H 1 3.02 0.02 . 2 . . . . 49 ASN HB2 . 16774 1 567 . 1 1 49 49 ASN HB3 H 1 2.77 0.02 . 2 . . . . 49 ASN HB3 . 16774 1 568 . 1 1 49 49 ASN HD21 H 1 7.49 0.02 . 2 . . . . 49 ASN HD21 . 16774 1 569 . 1 1 49 49 ASN HD22 H 1 6.83 0.02 . 2 . . . . 49 ASN HD22 . 16774 1 570 . 1 1 49 49 ASN C C 13 178.3 0.2 . 1 . . . . 49 ASN C . 16774 1 571 . 1 1 49 49 ASN CA C 13 56.1 0.2 . 1 . . . . 49 ASN CA . 16774 1 572 . 1 1 49 49 ASN CB C 13 38.1 0.2 . 1 . . . . 49 ASN CB . 16774 1 573 . 1 1 49 49 ASN N N 15 116.0 0.2 . 1 . . . . 49 ASN N . 16774 1 574 . 1 1 49 49 ASN ND2 N 15 110.5 0.2 . 1 . . . . 49 ASN ND2 . 16774 1 575 . 1 1 50 50 GLU H H 1 7.60 0.02 . 1 . . . . 50 GLU H . 16774 1 576 . 1 1 50 50 GLU HA H 1 4.60 0.02 . 1 . . . . 50 GLU HA . 16774 1 577 . 1 1 50 50 GLU HB2 H 1 2.18 0.02 . 2 . . . . 50 GLU HB2 . 16774 1 578 . 1 1 50 50 GLU HB3 H 1 2.08 0.02 . 2 . . . . 50 GLU HB3 . 16774 1 579 . 1 1 50 50 GLU HG2 H 1 2.51 0.02 . 2 . . . . 50 GLU HG2 . 16774 1 580 . 1 1 50 50 GLU HG3 H 1 2.28 0.02 . 2 . . . . 50 GLU HG3 . 16774 1 581 . 1 1 50 50 GLU C C 13 178.2 0.2 . 1 . . . . 50 GLU C . 16774 1 582 . 1 1 50 50 GLU CA C 13 58.3 0.2 . 1 . . . . 50 GLU CA . 16774 1 583 . 1 1 50 50 GLU CB C 13 28.7 0.2 . 1 . . . . 50 GLU CB . 16774 1 584 . 1 1 50 50 GLU CG C 13 34.7 0.2 . 1 . . . . 50 GLU CG . 16774 1 585 . 1 1 50 50 GLU N N 15 121.9 0.2 . 1 . . . . 50 GLU N . 16774 1 586 . 1 1 51 51 LEU H H 1 7.90 0.02 . 1 . . . . 51 LEU H . 16774 1 587 . 1 1 51 51 LEU HA H 1 4.11 0.02 . 1 . . . . 51 LEU HA . 16774 1 588 . 1 1 51 51 LEU HB2 H 1 1.91 0.02 . 1 . . . . 51 LEU HB2 . 16774 1 589 . 1 1 51 51 LEU HB3 H 1 1.42 0.02 . 1 . . . . 51 LEU HB3 . 16774 1 590 . 1 1 51 51 LEU HD11 H 1 0.91 0.02 . 2 . . . . 51 LEU MD1 . 16774 1 591 . 1 1 51 51 LEU HD12 H 1 0.91 0.02 . 2 . . . . 51 LEU MD1 . 16774 1 592 . 1 1 51 51 LEU HD13 H 1 0.91 0.02 . 2 . . . . 51 LEU MD1 . 16774 1 593 . 1 1 51 51 LEU HD21 H 1 0.91 0.02 . 2 . . . . 51 LEU MD2 . 16774 1 594 . 1 1 51 51 LEU HD22 H 1 0.91 0.02 . 2 . . . . 51 LEU MD2 . 16774 1 595 . 1 1 51 51 LEU HD23 H 1 0.91 0.02 . 2 . . . . 51 LEU MD2 . 16774 1 596 . 1 1 51 51 LEU HG H 1 0.74 0.02 . 1 . . . . 51 LEU HG . 16774 1 597 . 1 1 51 51 LEU C C 13 179.7 0.2 . 1 . . . . 51 LEU C . 16774 1 598 . 1 1 51 51 LEU CA C 13 57.9 0.2 . 1 . . . . 51 LEU CA . 16774 1 599 . 1 1 51 51 LEU CB C 13 42.3 0.2 . 1 . . . . 51 LEU CB . 16774 1 600 . 1 1 51 51 LEU CD1 C 13 23.5 0.2 . 2 . . . . 51 LEU CD1 . 16774 1 601 . 1 1 51 51 LEU CD2 C 13 23.5 0.2 . 2 . . . . 51 LEU CD2 . 16774 1 602 . 1 1 51 51 LEU CG C 13 26.8 0.2 . 1 . . . . 51 LEU CG . 16774 1 603 . 1 1 51 51 LEU N N 15 118.4 0.2 . 1 . . . . 51 LEU N . 16774 1 604 . 1 1 52 52 MET H H 1 8.84 0.02 . 1 . . . . 52 MET H . 16774 1 605 . 1 1 52 52 MET HA H 1 4.49 0.02 . 1 . . . . 52 MET HA . 16774 1 606 . 1 1 52 52 MET HB2 H 1 2.39 0.02 . 2 . . . . 52 MET HB2 . 16774 1 607 . 1 1 52 52 MET HB3 H 1 2.18 0.02 . 2 . . . . 52 MET HB3 . 16774 1 608 . 1 1 52 52 MET HE1 H 1 2.32 0.02 . 1 . . . . 52 MET ME . 16774 1 609 . 1 1 52 52 MET HE2 H 1 2.32 0.02 . 1 . . . . 52 MET ME . 16774 1 610 . 1 1 52 52 MET HE3 H 1 2.32 0.02 . 1 . . . . 52 MET ME . 16774 1 611 . 1 1 52 52 MET HG2 H 1 2.82 0.02 . 2 . . . . 52 MET HG2 . 16774 1 612 . 1 1 52 52 MET HG3 H 1 2.82 0.02 . 2 . . . . 52 MET HG3 . 16774 1 613 . 1 1 52 52 MET C C 13 179.9 0.2 . 1 . . . . 52 MET C . 16774 1 614 . 1 1 52 52 MET CA C 13 59.4 0.2 . 1 . . . . 52 MET CA . 16774 1 615 . 1 1 52 52 MET CB C 13 33.6 0.2 . 1 . . . . 52 MET CB . 16774 1 616 . 1 1 52 52 MET CE C 13 17.8 0.2 . 1 . . . . 52 MET CE . 16774 1 617 . 1 1 52 52 MET CG C 13 32.4 0.2 . 1 . . . . 52 MET CG . 16774 1 618 . 1 1 52 52 MET N N 15 119.7 0.2 . 1 . . . . 52 MET N . 16774 1 619 . 1 1 53 53 ARG H H 1 8.12 0.02 . 1 . . . . 53 ARG H . 16774 1 620 . 1 1 53 53 ARG HA H 1 4.08 0.02 . 1 . . . . 53 ARG HA . 16774 1 621 . 1 1 53 53 ARG HB2 H 1 2.16 0.02 . 2 . . . . 53 ARG HB2 . 16774 1 622 . 1 1 53 53 ARG HB3 H 1 2.01 0.02 . 2 . . . . 53 ARG HB3 . 16774 1 623 . 1 1 53 53 ARG HD2 H 1 3.40 0.02 . 2 . . . . 53 ARG HD2 . 16774 1 624 . 1 1 53 53 ARG HD3 H 1 3.12 0.02 . 2 . . . . 53 ARG HD3 . 16774 1 625 . 1 1 53 53 ARG HG2 H 1 1.76 0.02 . 2 . . . . 53 ARG HG2 . 16774 1 626 . 1 1 53 53 ARG HG3 H 1 1.64 0.02 . 2 . . . . 53 ARG HG3 . 16774 1 627 . 1 1 53 53 ARG C C 13 178.2 0.2 . 1 . . . . 53 ARG C . 16774 1 628 . 1 1 53 53 ARG CA C 13 59.4 0.2 . 1 . . . . 53 ARG CA . 16774 1 629 . 1 1 53 53 ARG CB C 13 30.2 0.2 . 1 . . . . 53 ARG CB . 16774 1 630 . 1 1 53 53 ARG CD C 13 43.3 0.2 . 1 . . . . 53 ARG CD . 16774 1 631 . 1 1 53 53 ARG CG C 13 27.6 0.2 . 1 . . . . 53 ARG CG . 16774 1 632 . 1 1 53 53 ARG N N 15 122.7 0.2 . 1 . . . . 53 ARG N . 16774 1 633 . 1 1 54 54 LEU H H 1 7.62 0.02 . 1 . . . . 54 LEU H . 16774 1 634 . 1 1 54 54 LEU HA H 1 4.29 0.02 . 1 . . . . 54 LEU HA . 16774 1 635 . 1 1 54 54 LEU HB2 H 1 1.83 0.02 . 2 . . . . 54 LEU HB2 . 16774 1 636 . 1 1 54 54 LEU HB3 H 1 1.67 0.02 . 2 . . . . 54 LEU HB3 . 16774 1 637 . 1 1 54 54 LEU HD11 H 1 0.86 0.02 . 2 . . . . 54 LEU MD1 . 16774 1 638 . 1 1 54 54 LEU HD12 H 1 0.86 0.02 . 2 . . . . 54 LEU MD1 . 16774 1 639 . 1 1 54 54 LEU HD13 H 1 0.86 0.02 . 2 . . . . 54 LEU MD1 . 16774 1 640 . 1 1 54 54 LEU HD21 H 1 0.86 0.02 . 2 . . . . 54 LEU MD2 . 16774 1 641 . 1 1 54 54 LEU HD22 H 1 0.86 0.02 . 2 . . . . 54 LEU MD2 . 16774 1 642 . 1 1 54 54 LEU HD23 H 1 0.86 0.02 . 2 . . . . 54 LEU MD2 . 16774 1 643 . 1 1 54 54 LEU HG H 1 0.84 0.02 . 1 . . . . 54 LEU HG . 16774 1 644 . 1 1 54 54 LEU C C 13 177.2 0.2 . 1 . . . . 54 LEU C . 16774 1 645 . 1 1 54 54 LEU CA C 13 55.2 0.2 . 1 . . . . 54 LEU CA . 16774 1 646 . 1 1 54 54 LEU CB C 13 42.8 0.2 . 1 . . . . 54 LEU CB . 16774 1 647 . 1 1 54 54 LEU CD1 C 13 22.1 0.2 . 2 . . . . 54 LEU CD1 . 16774 1 648 . 1 1 54 54 LEU CD2 C 13 22.1 0.2 . 2 . . . . 54 LEU CD2 . 16774 1 649 . 1 1 54 54 LEU CG C 13 25.4 0.2 . 1 . . . . 54 LEU CG . 16774 1 650 . 1 1 54 54 LEU N N 15 116.6 0.2 . 1 . . . . 54 LEU N . 16774 1 651 . 1 1 55 55 GLY H H 1 7.84 0.02 . 1 . . . . 55 GLY H . 16774 1 652 . 1 1 55 55 GLY HA2 H 1 4.31 0.02 . 2 . . . . 55 GLY HA2 . 16774 1 653 . 1 1 55 55 GLY HA3 H 1 3.90 0.02 . 2 . . . . 55 GLY HA3 . 16774 1 654 . 1 1 55 55 GLY CA C 13 45.3 0.2 . 1 . . . . 55 GLY CA . 16774 1 655 . 1 1 55 55 GLY N N 15 106.7 0.2 . 1 . . . . 55 GLY N . 16774 1 656 . 1 1 57 57 PHE HD1 H 1 7.36 0.02 . 3 . . . . 57 PHE HD1 . 16774 1 657 . 1 1 57 57 PHE HD2 H 1 7.36 0.02 . 3 . . . . 57 PHE HD2 . 16774 1 658 . 1 1 57 57 PHE HE1 H 1 7.10 0.02 . 3 . . . . 57 PHE HE1 . 16774 1 659 . 1 1 57 57 PHE HE2 H 1 7.10 0.02 . 3 . . . . 57 PHE HE2 . 16774 1 660 . 1 1 57 57 PHE CD1 C 13 132.1 0.2 . 3 . . . . 57 PHE CD1 . 16774 1 661 . 1 1 57 57 PHE CD2 C 13 132.1 0.2 . 3 . . . . 57 PHE CD2 . 16774 1 662 . 1 1 57 57 PHE CE1 C 13 129.9 0.2 . 3 . . . . 57 PHE CE1 . 16774 1 663 . 1 1 57 57 PHE CE2 C 13 129.9 0.2 . 3 . . . . 57 PHE CE2 . 16774 1 664 . 1 1 58 58 ASP HA H 1 4.39 0.02 . 1 . . . . 58 ASP HA . 16774 1 665 . 1 1 58 58 ASP HB2 H 1 2.45 0.02 . 2 . . . . 58 ASP HB2 . 16774 1 666 . 1 1 58 58 ASP HB3 H 1 2.45 0.02 . 2 . . . . 58 ASP HB3 . 16774 1 667 . 1 1 58 58 ASP C C 13 175.3 0.2 . 1 . . . . 58 ASP C . 16774 1 668 . 1 1 58 58 ASP CA C 13 55.1 0.2 . 1 . . . . 58 ASP CA . 16774 1 669 . 1 1 58 58 ASP CB C 13 41.4 0.2 . 1 . . . . 58 ASP CB . 16774 1 670 . 1 1 59 59 GLN H H 1 8.13 0.02 . 1 . . . . 59 GLN H . 16774 1 671 . 1 1 59 59 GLN HA H 1 4.46 0.02 . 1 . . . . 59 GLN HA . 16774 1 672 . 1 1 59 59 GLN HB2 H 1 2.15 0.02 . 2 . . . . 59 GLN HB2 . 16774 1 673 . 1 1 59 59 GLN HB3 H 1 2.07 0.02 . 2 . . . . 59 GLN HB3 . 16774 1 674 . 1 1 59 59 GLN HE21 H 1 7.65 0.02 . 2 . . . . 59 GLN HE21 . 16774 1 675 . 1 1 59 59 GLN HE22 H 1 6.88 0.02 . 2 . . . . 59 GLN HE22 . 16774 1 676 . 1 1 59 59 GLN HG2 H 1 2.44 0.02 . 2 . . . . 59 GLN HG2 . 16774 1 677 . 1 1 59 59 GLN HG3 H 1 2.39 0.02 . 2 . . . . 59 GLN HG3 . 16774 1 678 . 1 1 59 59 GLN C C 13 175.3 0.2 . 1 . . . . 59 GLN C . 16774 1 679 . 1 1 59 59 GLN CA C 13 56.4 0.2 . 1 . . . . 59 GLN CA . 16774 1 680 . 1 1 59 59 GLN CB C 13 27.5 0.2 . 1 . . . . 59 GLN CB . 16774 1 681 . 1 1 59 59 GLN CG C 13 33.8 0.2 . 1 . . . . 59 GLN CG . 16774 1 682 . 1 1 59 59 GLN N N 15 118.7 0.2 . 1 . . . . 59 GLN N . 16774 1 683 . 1 1 59 59 GLN NE2 N 15 113.0 0.2 . 1 . . . . 59 GLN NE2 . 16774 1 684 . 1 1 60 60 ILE H H 1 7.58 0.02 . 1 . . . . 60 ILE H . 16774 1 685 . 1 1 60 60 ILE HA H 1 4.46 0.02 . 1 . . . . 60 ILE HA . 16774 1 686 . 1 1 60 60 ILE HB H 1 1.82 0.02 . 1 . . . . 60 ILE HB . 16774 1 687 . 1 1 60 60 ILE HD11 H 1 0.87 0.02 . 1 . . . . 60 ILE MD . 16774 1 688 . 1 1 60 60 ILE HD12 H 1 0.87 0.02 . 1 . . . . 60 ILE MD . 16774 1 689 . 1 1 60 60 ILE HD13 H 1 0.87 0.02 . 1 . . . . 60 ILE MD . 16774 1 690 . 1 1 60 60 ILE HG12 H 1 1.29 0.02 . 2 . . . . 60 ILE HG12 . 16774 1 691 . 1 1 60 60 ILE HG13 H 1 1.15 0.02 . 2 . . . . 60 ILE HG13 . 16774 1 692 . 1 1 60 60 ILE HG21 H 1 0.83 0.02 . 1 . . . . 60 ILE MG . 16774 1 693 . 1 1 60 60 ILE HG22 H 1 0.83 0.02 . 1 . . . . 60 ILE MG . 16774 1 694 . 1 1 60 60 ILE HG23 H 1 0.83 0.02 . 1 . . . . 60 ILE MG . 16774 1 695 . 1 1 60 60 ILE C C 13 174.4 0.2 . 1 . . . . 60 ILE C . 16774 1 696 . 1 1 60 60 ILE CA C 13 59.9 0.2 . 1 . . . . 60 ILE CA . 16774 1 697 . 1 1 60 60 ILE CB C 13 41.5 0.2 . 1 . . . . 60 ILE CB . 16774 1 698 . 1 1 60 60 ILE CD1 C 13 14.0 0.2 . 1 . . . . 60 ILE CD1 . 16774 1 699 . 1 1 60 60 ILE CG1 C 13 26.1 0.2 . 1 . . . . 60 ILE CG1 . 16774 1 700 . 1 1 60 60 ILE CG2 C 13 18.1 0.2 . 1 . . . . 60 ILE CG2 . 16774 1 701 . 1 1 60 60 ILE N N 15 121.6 0.2 . 1 . . . . 60 ILE N . 16774 1 702 . 1 1 61 61 ASP H H 1 8.61 0.02 . 1 . . . . 61 ASP H . 16774 1 703 . 1 1 61 61 ASP HA H 1 4.74 0.02 . 1 . . . . 61 ASP HA . 16774 1 704 . 1 1 61 61 ASP HB2 H 1 3.03 0.02 . 2 . . . . 61 ASP HB2 . 16774 1 705 . 1 1 61 61 ASP HB3 H 1 2.43 0.02 . 2 . . . . 61 ASP HB3 . 16774 1 706 . 1 1 61 61 ASP C C 13 175.7 0.2 . 1 . . . . 61 ASP C . 16774 1 707 . 1 1 61 61 ASP CA C 13 52.7 0.2 . 1 . . . . 61 ASP CA . 16774 1 708 . 1 1 61 61 ASP CB C 13 39.6 0.2 . 1 . . . . 61 ASP CB . 16774 1 709 . 1 1 61 61 ASP N N 15 123.4 0.2 . 1 . . . . 61 ASP N . 16774 1 710 . 1 1 62 62 ILE H H 1 8.10 0.02 . 1 . . . . 62 ILE H . 16774 1 711 . 1 1 62 62 ILE HA H 1 3.41 0.02 . 1 . . . . 62 ILE HA . 16774 1 712 . 1 1 62 62 ILE HB H 1 1.94 0.02 . 1 . . . . 62 ILE HB . 16774 1 713 . 1 1 62 62 ILE HD11 H 1 0.62 0.02 . 1 . . . . 62 ILE MD . 16774 1 714 . 1 1 62 62 ILE HD12 H 1 0.62 0.02 . 1 . . . . 62 ILE MD . 16774 1 715 . 1 1 62 62 ILE HD13 H 1 0.62 0.02 . 1 . . . . 62 ILE MD . 16774 1 716 . 1 1 62 62 ILE HG12 H 1 1.53 0.02 . 2 . . . . 62 ILE HG12 . 16774 1 717 . 1 1 62 62 ILE HG13 H 1 1.39 0.02 . 2 . . . . 62 ILE HG13 . 16774 1 718 . 1 1 62 62 ILE HG21 H 1 0.70 0.02 . 1 . . . . 62 ILE MG . 16774 1 719 . 1 1 62 62 ILE HG22 H 1 0.70 0.02 . 1 . . . . 62 ILE MG . 16774 1 720 . 1 1 62 62 ILE HG23 H 1 0.70 0.02 . 1 . . . . 62 ILE MG . 16774 1 721 . 1 1 62 62 ILE C C 13 176.6 0.2 . 1 . . . . 62 ILE C . 16774 1 722 . 1 1 62 62 ILE CA C 13 62.8 0.2 . 1 . . . . 62 ILE CA . 16774 1 723 . 1 1 62 62 ILE CB C 13 36.7 0.2 . 1 . . . . 62 ILE CB . 16774 1 724 . 1 1 62 62 ILE CD1 C 13 12.1 0.2 . 1 . . . . 62 ILE CD1 . 16774 1 725 . 1 1 62 62 ILE CG1 C 13 27.1 0.2 . 1 . . . . 62 ILE CG1 . 16774 1 726 . 1 1 62 62 ILE CG2 C 13 18.4 0.2 . 1 . . . . 62 ILE CG2 . 16774 1 727 . 1 1 62 62 ILE N N 15 124.5 0.2 . 1 . . . . 62 ILE N . 16774 1 728 . 1 1 63 63 GLY H H 1 8.51 0.02 . 1 . . . . 63 GLY H . 16774 1 729 . 1 1 63 63 GLY HA2 H 1 3.52 0.02 . 2 . . . . 63 GLY HA2 . 16774 1 730 . 1 1 63 63 GLY HA3 H 1 3.93 0.02 . 2 . . . . 63 GLY HA3 . 16774 1 731 . 1 1 63 63 GLY C C 13 175.7 0.2 . 1 . . . . 63 GLY C . 16774 1 732 . 1 1 63 63 GLY CA C 13 47.0 0.2 . 1 . . . . 63 GLY CA . 16774 1 733 . 1 1 63 63 GLY N N 15 104.0 0.2 . 1 . . . . 63 GLY N . 16774 1 734 . 1 1 64 64 VAL H H 1 7.31 0.02 . 1 . . . . 64 VAL H . 16774 1 735 . 1 1 64 64 VAL HA H 1 3.72 0.02 . 1 . . . . 64 VAL HA . 16774 1 736 . 1 1 64 64 VAL HB H 1 1.95 0.02 . 1 . . . . 64 VAL HB . 16774 1 737 . 1 1 64 64 VAL HG11 H 1 0.94 0.02 . 2 . . . . 64 VAL MG1 . 16774 1 738 . 1 1 64 64 VAL HG12 H 1 0.94 0.02 . 2 . . . . 64 VAL MG1 . 16774 1 739 . 1 1 64 64 VAL HG13 H 1 0.94 0.02 . 2 . . . . 64 VAL MG1 . 16774 1 740 . 1 1 64 64 VAL HG21 H 1 0.79 0.02 . 2 . . . . 64 VAL MG2 . 16774 1 741 . 1 1 64 64 VAL HG22 H 1 0.79 0.02 . 2 . . . . 64 VAL MG2 . 16774 1 742 . 1 1 64 64 VAL HG23 H 1 0.79 0.02 . 2 . . . . 64 VAL MG2 . 16774 1 743 . 1 1 64 64 VAL C C 13 178.4 0.2 . 1 . . . . 64 VAL C . 16774 1 744 . 1 1 64 64 VAL CA C 13 65.3 0.2 . 1 . . . . 64 VAL CA . 16774 1 745 . 1 1 64 64 VAL CB C 13 32.4 0.2 . 1 . . . . 64 VAL CB . 16774 1 746 . 1 1 64 64 VAL CG1 C 13 22.5 0.2 . 2 . . . . 64 VAL CG1 . 16774 1 747 . 1 1 64 64 VAL CG2 C 13 21.1 0.2 . 2 . . . . 64 VAL CG2 . 16774 1 748 . 1 1 64 64 VAL N N 15 119.8 0.2 . 1 . . . . 64 VAL N . 16774 1 749 . 1 1 65 65 VAL H H 1 7.89 0.02 . 1 . . . . 65 VAL H . 16774 1 750 . 1 1 65 65 VAL HA H 1 3.44 0.02 . 1 . . . . 65 VAL HA . 16774 1 751 . 1 1 65 65 VAL HB H 1 1.79 0.02 . 1 . . . . 65 VAL HB . 16774 1 752 . 1 1 65 65 VAL HG11 H 1 0.88 0.02 . 2 . . . . 65 VAL MG1 . 16774 1 753 . 1 1 65 65 VAL HG12 H 1 0.88 0.02 . 2 . . . . 65 VAL MG1 . 16774 1 754 . 1 1 65 65 VAL HG13 H 1 0.88 0.02 . 2 . . . . 65 VAL MG1 . 16774 1 755 . 1 1 65 65 VAL HG21 H 1 0.53 0.02 . 2 . . . . 65 VAL MG2 . 16774 1 756 . 1 1 65 65 VAL HG22 H 1 0.53 0.02 . 2 . . . . 65 VAL MG2 . 16774 1 757 . 1 1 65 65 VAL HG23 H 1 0.53 0.02 . 2 . . . . 65 VAL MG2 . 16774 1 758 . 1 1 65 65 VAL C C 13 178.5 0.2 . 1 . . . . 65 VAL C . 16774 1 759 . 1 1 65 65 VAL CA C 13 66.4 0.2 . 1 . . . . 65 VAL CA . 16774 1 760 . 1 1 65 65 VAL CB C 13 31.7 0.2 . 1 . . . . 65 VAL CB . 16774 1 761 . 1 1 65 65 VAL CG1 C 13 22.2 0.2 . 2 . . . . 65 VAL CG1 . 16774 1 762 . 1 1 65 65 VAL CG2 C 13 21.5 0.2 . 2 . . . . 65 VAL CG2 . 16774 1 763 . 1 1 65 65 VAL N N 15 120.0 0.2 . 1 . . . . 65 VAL N . 16774 1 764 . 1 1 66 66 ILE H H 1 7.63 0.02 . 1 . . . . 66 ILE H . 16774 1 765 . 1 1 66 66 ILE HA H 1 2.90 0.02 . 1 . . . . 66 ILE HA . 16774 1 766 . 1 1 66 66 ILE HB H 1 1.92 0.02 . 1 . . . . 66 ILE HB . 16774 1 767 . 1 1 66 66 ILE HD11 H 1 0.36 0.02 . 1 . . . . 66 ILE MD . 16774 1 768 . 1 1 66 66 ILE HD12 H 1 0.36 0.02 . 1 . . . . 66 ILE MD . 16774 1 769 . 1 1 66 66 ILE HD13 H 1 0.36 0.02 . 1 . . . . 66 ILE MD . 16774 1 770 . 1 1 66 66 ILE HG12 H 1 1.29 0.02 . 2 . . . . 66 ILE HG12 . 16774 1 771 . 1 1 66 66 ILE HG13 H 1 0.79 0.02 . 2 . . . . 66 ILE HG13 . 16774 1 772 . 1 1 66 66 ILE HG21 H 1 0.72 0.02 . 1 . . . . 66 ILE MG . 16774 1 773 . 1 1 66 66 ILE HG22 H 1 0.72 0.02 . 1 . . . . 66 ILE MG . 16774 1 774 . 1 1 66 66 ILE HG23 H 1 0.72 0.02 . 1 . . . . 66 ILE MG . 16774 1 775 . 1 1 66 66 ILE C C 13 176.7 0.2 . 1 . . . . 66 ILE C . 16774 1 776 . 1 1 66 66 ILE CA C 13 63.2 0.2 . 1 . . . . 66 ILE CA . 16774 1 777 . 1 1 66 66 ILE CB C 13 36.5 0.2 . 1 . . . . 66 ILE CB . 16774 1 778 . 1 1 66 66 ILE CD1 C 13 13.5 0.2 . 1 . . . . 66 ILE CD1 . 16774 1 779 . 1 1 66 66 ILE CG1 C 13 24.9 0.1 . 1 . . . . 66 ILE CG1 . 16774 1 780 . 1 1 66 66 ILE CG2 C 13 17.5 0.2 . 1 . . . . 66 ILE CG2 . 16774 1 781 . 1 1 66 66 ILE N N 15 110.1 0.2 . 1 . . . . 66 ILE N . 16774 1 782 . 1 1 67 67 THR H H 1 7.05 0.02 . 1 . . . . 67 THR H . 16774 1 783 . 1 1 67 67 THR HA H 1 4.33 0.02 . 1 . . . . 67 THR HA . 16774 1 784 . 1 1 67 67 THR HB H 1 4.33 0.02 . 1 . . . . 67 THR HB . 16774 1 785 . 1 1 67 67 THR HG21 H 1 1.24 0.02 . 1 . . . . 67 THR MG . 16774 1 786 . 1 1 67 67 THR HG22 H 1 1.24 0.02 . 1 . . . . 67 THR MG . 16774 1 787 . 1 1 67 67 THR HG23 H 1 1.24 0.02 . 1 . . . . 67 THR MG . 16774 1 788 . 1 1 67 67 THR C C 13 175.1 0.2 . 1 . . . . 67 THR C . 16774 1 789 . 1 1 67 67 THR CA C 13 62.2 0.2 . 1 . . . . 67 THR CA . 16774 1 790 . 1 1 67 67 THR CB C 13 69.5 0.2 . 1 . . . . 67 THR CB . 16774 1 791 . 1 1 67 67 THR CG2 C 13 22.0 0.2 . 1 . . . . 67 THR CG2 . 16774 1 792 . 1 1 67 67 THR N N 15 109.0 0.2 . 1 . . . . 67 THR N . 16774 1 793 . 1 1 68 68 HIS H H 1 7.37 0.02 . 1 . . . . 68 HIS H . 16774 1 794 . 1 1 68 68 HIS HB2 H 1 3.57 0.02 . 2 . . . . 68 HIS HB2 . 16774 1 795 . 1 1 68 68 HIS HB3 H 1 2.94 0.02 . 2 . . . . 68 HIS HB3 . 16774 1 796 . 1 1 68 68 HIS HD2 H 1 7.16 0.02 . 1 . . . . 68 HIS HD2 . 16774 1 797 . 1 1 68 68 HIS C C 13 175.0 0.2 . 1 . . . . 68 HIS C . 16774 1 798 . 1 1 68 68 HIS CA C 13 56.0 0.2 . 1 . . . . 68 HIS CA . 16774 1 799 . 1 1 68 68 HIS CB C 13 29.6 0.2 . 1 . . . . 68 HIS CB . 16774 1 800 . 1 1 68 68 HIS CD2 C 13 120.7 0.2 . 1 . . . . 68 HIS CD2 . 16774 1 801 . 1 1 68 68 HIS N N 15 118.7 0.2 . 1 . . . . 68 HIS N . 16774 1 802 . 1 1 69 69 PHE H H 1 7.56 0.02 . 1 . . . . 69 PHE H . 16774 1 803 . 1 1 69 69 PHE HA H 1 5.27 0.02 . 1 . . . . 69 PHE HA . 16774 1 804 . 1 1 69 69 PHE HB2 H 1 3.57 0.02 . 2 . . . . 69 PHE HB2 . 16774 1 805 . 1 1 69 69 PHE HB3 H 1 3.16 0.02 . 2 . . . . 69 PHE HB3 . 16774 1 806 . 1 1 69 69 PHE HD1 H 1 7.35 0.02 . 3 . . . . 69 PHE HD1 . 16774 1 807 . 1 1 69 69 PHE HD2 H 1 7.35 0.02 . 3 . . . . 69 PHE HD2 . 16774 1 808 . 1 1 69 69 PHE HE1 H 1 7.02 0.02 . 3 . . . . 69 PHE HE1 . 16774 1 809 . 1 1 69 69 PHE HE2 H 1 7.02 0.02 . 3 . . . . 69 PHE HE2 . 16774 1 810 . 1 1 69 69 PHE C C 13 176.9 0.2 . 1 . . . . 69 PHE C . 16774 1 811 . 1 1 69 69 PHE CA C 13 56.5 0.2 . 1 . . . . 69 PHE CA . 16774 1 812 . 1 1 69 69 PHE CB C 13 38.1 0.2 . 1 . . . . 69 PHE CB . 16774 1 813 . 1 1 69 69 PHE CD1 C 13 131.1 0.2 . 3 . . . . 69 PHE CD1 . 16774 1 814 . 1 1 69 69 PHE CD2 C 13 131.1 0.2 . 3 . . . . 69 PHE CD2 . 16774 1 815 . 1 1 69 69 PHE CE1 C 13 130.7 0.2 . 3 . . . . 69 PHE CE1 . 16774 1 816 . 1 1 69 69 PHE CE2 C 13 130.7 0.2 . 3 . . . . 69 PHE CE2 . 16774 1 817 . 1 1 69 69 PHE N N 15 119.8 0.2 . 1 . . . . 69 PHE N . 16774 1 818 . 1 1 70 70 THR H H 1 9.07 0.02 . 1 . . . . 70 THR H . 16774 1 819 . 1 1 70 70 THR HA H 1 4.94 0.02 . 1 . . . . 70 THR HA . 16774 1 820 . 1 1 70 70 THR HB H 1 4.77 0.02 . 1 . . . . 70 THR HB . 16774 1 821 . 1 1 70 70 THR HG21 H 1 1.37 0.02 . 1 . . . . 70 THR MG . 16774 1 822 . 1 1 70 70 THR HG22 H 1 1.37 0.02 . 1 . . . . 70 THR MG . 16774 1 823 . 1 1 70 70 THR HG23 H 1 1.37 0.02 . 1 . . . . 70 THR MG . 16774 1 824 . 1 1 70 70 THR C C 13 174.9 0.2 . 1 . . . . 70 THR C . 16774 1 825 . 1 1 70 70 THR CA C 13 59.6 0.2 . 1 . . . . 70 THR CA . 16774 1 826 . 1 1 70 70 THR CB C 13 72.6 0.2 . 1 . . . . 70 THR CB . 16774 1 827 . 1 1 70 70 THR CG2 C 13 21.5 0.2 . 1 . . . . 70 THR CG2 . 16774 1 828 . 1 1 70 70 THR N N 15 113.8 0.2 . 1 . . . . 70 THR N . 16774 1 829 . 1 1 71 71 ASP H H 1 8.78 0.02 . 1 . . . . 71 ASP H . 16774 1 830 . 1 1 71 71 ASP HA H 1 4.51 0.02 . 1 . . . . 71 ASP HA . 16774 1 831 . 1 1 71 71 ASP HB2 H 1 2.79 0.02 . 2 . . . . 71 ASP HB2 . 16774 1 832 . 1 1 71 71 ASP HB3 H 1 2.71 0.02 . 2 . . . . 71 ASP HB3 . 16774 1 833 . 1 1 71 71 ASP C C 13 176.5 0.2 . 1 . . . . 71 ASP C . 16774 1 834 . 1 1 71 71 ASP CA C 13 56.5 0.2 . 1 . . . . 71 ASP CA . 16774 1 835 . 1 1 71 71 ASP CB C 13 40.2 0.2 . 1 . . . . 71 ASP CB . 16774 1 836 . 1 1 71 71 ASP N N 15 117.8 0.2 . 1 . . . . 71 ASP N . 16774 1 837 . 1 1 72 72 GLU H H 1 7.98 0.02 . 1 . . . . 72 GLU H . 16774 1 838 . 1 1 72 72 GLU HA H 1 4.37 0.02 . 1 . . . . 72 GLU HA . 16774 1 839 . 1 1 72 72 GLU HB2 H 1 2.14 0.02 . 2 . . . . 72 GLU HB2 . 16774 1 840 . 1 1 72 72 GLU HB3 H 1 1.84 0.02 . 2 . . . . 72 GLU HB3 . 16774 1 841 . 1 1 72 72 GLU HG2 H 1 2.25 0.02 . 2 . . . . 72 GLU HG2 . 16774 1 842 . 1 1 72 72 GLU HG3 H 1 2.25 0.02 . 2 . . . . 72 GLU HG3 . 16774 1 843 . 1 1 72 72 GLU C C 13 174.5 0.2 . 1 . . . . 72 GLU C . 16774 1 844 . 1 1 72 72 GLU CA C 13 56.3 0.2 . 1 . . . . 72 GLU CA . 16774 1 845 . 1 1 72 72 GLU CB C 13 31.5 0.2 . 1 . . . . 72 GLU CB . 16774 1 846 . 1 1 72 72 GLU CG C 13 36.6 0.2 . 1 . . . . 72 GLU CG . 16774 1 847 . 1 1 72 72 GLU N N 15 115.2 0.2 . 1 . . . . 72 GLU N . 16774 1 848 . 1 1 73 73 LEU H H 1 7.30 0.02 . 1 . . . . 73 LEU H . 16774 1 849 . 1 1 73 73 LEU HA H 1 4.63 0.02 . 1 . . . . 73 LEU HA . 16774 1 850 . 1 1 73 73 LEU HB2 H 1 1.96 0.02 . 2 . . . . 73 LEU HB2 . 16774 1 851 . 1 1 73 73 LEU HB3 H 1 1.44 0.02 . 2 . . . . 73 LEU HB3 . 16774 1 852 . 1 1 73 73 LEU CA C 13 52.5 0.2 . 1 . . . . 73 LEU CA . 16774 1 853 . 1 1 73 73 LEU CB C 13 44.9 0.2 . 1 . . . . 73 LEU CB . 16774 1 854 . 1 1 73 73 LEU N N 15 123.7 0.2 . 1 . . . . 73 LEU N . 16774 1 855 . 1 1 74 74 PRO HA H 1 4.93 0.02 . 1 . . . . 74 PRO HA . 16774 1 856 . 1 1 74 74 PRO HB2 H 1 2.30 0.02 . 1 . . . . 74 PRO HB2 . 16774 1 857 . 1 1 74 74 PRO HB3 H 1 1.97 0.02 . 1 . . . . 74 PRO HB3 . 16774 1 858 . 1 1 74 74 PRO HD2 H 1 3.48 0.02 . 2 . . . . 74 PRO HD2 . 16774 1 859 . 1 1 74 74 PRO HD3 H 1 2.94 0.02 . 2 . . . . 74 PRO HD3 . 16774 1 860 . 1 1 74 74 PRO HG2 H 1 1.45 0.02 . 1 . . . . 74 PRO HG2 . 16774 1 861 . 1 1 74 74 PRO HG3 H 1 1.45 0.02 . 1 . . . . 74 PRO HG3 . 16774 1 862 . 1 1 74 74 PRO C C 13 175.0 0.2 . 1 . . . . 74 PRO C . 16774 1 863 . 1 1 74 74 PRO CA C 13 62.3 0.2 . 1 . . . . 74 PRO CA . 16774 1 864 . 1 1 74 74 PRO CB C 13 34.3 0.2 . 1 . . . . 74 PRO CB . 16774 1 865 . 1 1 74 74 PRO CD C 13 49.8 0.2 . 1 . . . . 74 PRO CD . 16774 1 866 . 1 1 74 74 PRO CG C 13 25.0 0.2 . 1 . . . . 74 PRO CG . 16774 1 867 . 1 1 75 75 SER H H 1 9.13 0.02 . 1 . . . . 75 SER H . 16774 1 868 . 1 1 75 75 SER HA H 1 4.63 0.02 . 1 . . . . 75 SER HA . 16774 1 869 . 1 1 75 75 SER HB2 H 1 4.45 0.02 . 2 . . . . 75 SER HB2 . 16774 1 870 . 1 1 75 75 SER HB3 H 1 4.11 0.02 . 2 . . . . 75 SER HB3 . 16774 1 871 . 1 1 75 75 SER CA C 13 56.7 0.2 . 1 . . . . 75 SER CA . 16774 1 872 . 1 1 75 75 SER CB C 13 63.1 0.2 . 1 . . . . 75 SER CB . 16774 1 873 . 1 1 75 75 SER N N 15 117.9 0.2 . 1 . . . . 75 SER N . 16774 1 874 . 1 1 76 76 PRO HA H 1 4.26 0.02 . 1 . . . . 76 PRO HA . 16774 1 875 . 1 1 76 76 PRO HB2 H 1 2.44 0.02 . 2 . . . . 76 PRO HB2 . 16774 1 876 . 1 1 76 76 PRO HB3 H 1 2.01 0.02 . 2 . . . . 76 PRO HB3 . 16774 1 877 . 1 1 76 76 PRO HD2 H 1 4.03 0.02 . 2 . . . . 76 PRO HD2 . 16774 1 878 . 1 1 76 76 PRO HD3 H 1 4.03 0.02 . 2 . . . . 76 PRO HD3 . 16774 1 879 . 1 1 76 76 PRO HG2 H 1 2.29 0.02 . 2 . . . . 76 PRO HG2 . 16774 1 880 . 1 1 76 76 PRO HG3 H 1 2.17 0.02 . 2 . . . . 76 PRO HG3 . 16774 1 881 . 1 1 76 76 PRO C C 13 179.5 0.2 . 1 . . . . 76 PRO C . 16774 1 882 . 1 1 76 76 PRO CA C 13 65.4 0.2 . 1 . . . . 76 PRO CA . 16774 1 883 . 1 1 76 76 PRO CB C 13 31.7 0.2 . 1 . . . . 76 PRO CB . 16774 1 884 . 1 1 76 76 PRO CD C 13 50.6 0.2 . 1 . . . . 76 PRO CD . 16774 1 885 . 1 1 76 76 PRO CG C 13 28.1 0.2 . 1 . . . . 76 PRO CG . 16774 1 886 . 1 1 77 77 GLU H H 1 8.70 0.02 . 1 . . . . 77 GLU H . 16774 1 887 . 1 1 77 77 GLU HA H 1 4.09 0.02 . 1 . . . . 77 GLU HA . 16774 1 888 . 1 1 77 77 GLU HB2 H 1 2.10 0.02 . 2 . . . . 77 GLU HB2 . 16774 1 889 . 1 1 77 77 GLU HB3 H 1 1.98 0.02 . 2 . . . . 77 GLU HB3 . 16774 1 890 . 1 1 77 77 GLU HG2 H 1 2.42 0.02 . 2 . . . . 77 GLU HG2 . 16774 1 891 . 1 1 77 77 GLU HG3 H 1 2.31 0.02 . 2 . . . . 77 GLU HG3 . 16774 1 892 . 1 1 77 77 GLU CA C 13 60.0 0.2 . 1 . . . . 77 GLU CA . 16774 1 893 . 1 1 77 77 GLU CB C 13 29.0 0.2 . 1 . . . . 77 GLU CB . 16774 1 894 . 1 1 77 77 GLU CG C 13 36.9 0.2 . 1 . . . . 77 GLU CG . 16774 1 895 . 1 1 77 77 GLU N N 15 117.6 0.2 . 1 . . . . 77 GLU N . 16774 1 896 . 1 1 78 78 ASP H H 1 7.96 0.02 . 1 . . . . 78 ASP H . 16774 1 897 . 1 1 78 78 ASP HA H 1 4.56 0.02 . 1 . . . . 78 ASP HA . 16774 1 898 . 1 1 78 78 ASP HB2 H 1 3.05 0.02 . 2 . . . . 78 ASP HB2 . 16774 1 899 . 1 1 78 78 ASP HB3 H 1 2.65 0.02 . 2 . . . . 78 ASP HB3 . 16774 1 900 . 1 1 78 78 ASP CA C 13 57.5 0.2 . 1 . . . . 78 ASP CA . 16774 1 901 . 1 1 78 78 ASP CB C 13 41.0 0.2 . 1 . . . . 78 ASP CB . 16774 1 902 . 1 1 78 78 ASP N N 15 122.6 0.2 . 1 . . . . 78 ASP N . 16774 1 903 . 1 1 79 79 VAL HA H 1 3.50 0.02 . 1 . . . . 79 VAL HA . 16774 1 904 . 1 1 79 79 VAL HB H 1 2.11 0.02 . 1 . . . . 79 VAL HB . 16774 1 905 . 1 1 79 79 VAL HG11 H 1 0.93 0.02 . 2 . . . . 79 VAL MG1 . 16774 1 906 . 1 1 79 79 VAL HG12 H 1 0.93 0.02 . 2 . . . . 79 VAL MG1 . 16774 1 907 . 1 1 79 79 VAL HG13 H 1 0.93 0.02 . 2 . . . . 79 VAL MG1 . 16774 1 908 . 1 1 79 79 VAL HG21 H 1 0.98 0.02 . 2 . . . . 79 VAL MG2 . 16774 1 909 . 1 1 79 79 VAL HG22 H 1 0.98 0.02 . 2 . . . . 79 VAL MG2 . 16774 1 910 . 1 1 79 79 VAL HG23 H 1 0.98 0.02 . 2 . . . . 79 VAL MG2 . 16774 1 911 . 1 1 79 79 VAL C C 13 177.3 0.2 . 1 . . . . 79 VAL C . 16774 1 912 . 1 1 79 79 VAL CA C 13 67.5 0.2 . 1 . . . . 79 VAL CA . 16774 1 913 . 1 1 79 79 VAL CB C 13 31.5 0.2 . 1 . . . . 79 VAL CB . 16774 1 914 . 1 1 79 79 VAL CG1 C 13 23.1 0.2 . 2 . . . . 79 VAL CG1 . 16774 1 915 . 1 1 79 79 VAL CG2 C 13 21.5 0.2 . 2 . . . . 79 VAL CG2 . 16774 1 916 . 1 1 80 80 GLU H H 1 8.20 0.02 . 1 . . . . 80 GLU H . 16774 1 917 . 1 1 80 80 GLU HA H 1 4.37 0.02 . 1 . . . . 80 GLU HA . 16774 1 918 . 1 1 80 80 GLU HB2 H 1 2.11 0.02 . 2 . . . . 80 GLU HB2 . 16774 1 919 . 1 1 80 80 GLU HB3 H 1 1.97 0.02 . 2 . . . . 80 GLU HB3 . 16774 1 920 . 1 1 80 80 GLU HG2 H 1 2.49 0.02 . 2 . . . . 80 GLU HG2 . 16774 1 921 . 1 1 80 80 GLU HG3 H 1 2.28 0.02 . 2 . . . . 80 GLU HG3 . 16774 1 922 . 1 1 80 80 GLU C C 13 177.8 0.2 . 1 . . . . 80 GLU C . 16774 1 923 . 1 1 80 80 GLU CA C 13 58.1 0.2 . 1 . . . . 80 GLU CA . 16774 1 924 . 1 1 80 80 GLU CB C 13 28.5 0.2 . 1 . . . . 80 GLU CB . 16774 1 925 . 1 1 80 80 GLU CG C 13 34.9 0.2 . 1 . . . . 80 GLU CG . 16774 1 926 . 1 1 80 80 GLU N N 15 118.4 0.2 . 1 . . . . 80 GLU N . 16774 1 927 . 1 1 81 81 ARG H H 1 7.88 0.02 . 1 . . . . 81 ARG H . 16774 1 928 . 1 1 81 81 ARG HA H 1 4.15 0.02 . 1 . . . . 81 ARG HA . 16774 1 929 . 1 1 81 81 ARG HB2 H 1 2.16 0.02 . 2 . . . . 81 ARG HB2 . 16774 1 930 . 1 1 81 81 ARG HB3 H 1 1.99 0.02 . 2 . . . . 81 ARG HB3 . 16774 1 931 . 1 1 81 81 ARG HD2 H 1 3.49 0.02 . 2 . . . . 81 ARG HD2 . 16774 1 932 . 1 1 81 81 ARG HD3 H 1 3.31 0.02 . 2 . . . . 81 ARG HD3 . 16774 1 933 . 1 1 81 81 ARG HG2 H 1 1.74 0.02 . 2 . . . . 81 ARG HG2 . 16774 1 934 . 1 1 81 81 ARG HG3 H 1 1.50 0.02 . 2 . . . . 81 ARG HG3 . 16774 1 935 . 1 1 81 81 ARG C C 13 179.4 0.2 . 1 . . . . 81 ARG C . 16774 1 936 . 1 1 81 81 ARG CA C 13 59.6 0.2 . 1 . . . . 81 ARG CA . 16774 1 937 . 1 1 81 81 ARG CB C 13 30.1 0.2 . 1 . . . . 81 ARG CB . 16774 1 938 . 1 1 81 81 ARG CD C 13 42.8 0.2 . 1 . . . . 81 ARG CD . 16774 1 939 . 1 1 81 81 ARG CG C 13 28.1 0.2 . 1 . . . . 81 ARG CG . 16774 1 940 . 1 1 81 81 ARG N N 15 120.6 0.2 . 1 . . . . 81 ARG N . 16774 1 941 . 1 1 82 82 VAL H H 1 7.85 0.02 . 1 . . . . 82 VAL H . 16774 1 942 . 1 1 82 82 VAL HA H 1 3.79 0.02 . 1 . . . . 82 VAL HA . 16774 1 943 . 1 1 82 82 VAL HB H 1 2.19 0.02 . 1 . . . . 82 VAL HB . 16774 1 944 . 1 1 82 82 VAL HG11 H 1 1.17 0.02 . 1 . . . . 82 VAL MG1 . 16774 1 945 . 1 1 82 82 VAL HG12 H 1 1.17 0.02 . 1 . . . . 82 VAL MG1 . 16774 1 946 . 1 1 82 82 VAL HG13 H 1 1.17 0.02 . 1 . . . . 82 VAL MG1 . 16774 1 947 . 1 1 82 82 VAL HG21 H 1 1.09 0.02 . 1 . . . . 82 VAL MG2 . 16774 1 948 . 1 1 82 82 VAL HG22 H 1 1.09 0.02 . 1 . . . . 82 VAL MG2 . 16774 1 949 . 1 1 82 82 VAL HG23 H 1 1.09 0.02 . 1 . . . . 82 VAL MG2 . 16774 1 950 . 1 1 82 82 VAL CA C 13 66.3 0.2 . 1 . . . . 82 VAL CA . 16774 1 951 . 1 1 82 82 VAL CB C 13 31.8 0.2 . 1 . . . . 82 VAL CB . 16774 1 952 . 1 1 82 82 VAL CG1 C 13 22.5 0.2 . 1 . . . . 82 VAL CG1 . 16774 1 953 . 1 1 82 82 VAL CG2 C 13 22.3 0.2 . 1 . . . . 82 VAL CG2 . 16774 1 954 . 1 1 82 82 VAL N N 15 119.6 0.2 . 1 . . . . 82 VAL N . 16774 1 955 . 1 1 83 83 ARG H H 1 9.09 0.02 . 1 . . . . 83 ARG H . 16774 1 956 . 1 1 83 83 ARG HA H 1 3.98 0.02 . 1 . . . . 83 ARG HA . 16774 1 957 . 1 1 83 83 ARG HB2 H 1 2.15 0.02 . 2 . . . . 83 ARG HB2 . 16774 1 958 . 1 1 83 83 ARG HB3 H 1 2.01 0.02 . 2 . . . . 83 ARG HB3 . 16774 1 959 . 1 1 83 83 ARG HD2 H 1 3.14 0.02 . 2 . . . . 83 ARG HD2 . 16774 1 960 . 1 1 83 83 ARG HD3 H 1 2.97 0.02 . 2 . . . . 83 ARG HD3 . 16774 1 961 . 1 1 83 83 ARG HG2 H 1 1.73 0.02 . 2 . . . . 83 ARG HG2 . 16774 1 962 . 1 1 83 83 ARG HG3 H 1 1.59 0.02 . 2 . . . . 83 ARG HG3 . 16774 1 963 . 1 1 83 83 ARG C C 13 178.0 0.2 . 1 . . . . 83 ARG C . 16774 1 964 . 1 1 83 83 ARG CA C 13 60.7 0.2 . 1 . . . . 83 ARG CA . 16774 1 965 . 1 1 83 83 ARG CB C 13 29.7 0.2 . 1 . . . . 83 ARG CB . 16774 1 966 . 1 1 83 83 ARG CD C 13 42.4 0.2 . 1 . . . . 83 ARG CD . 16774 1 967 . 1 1 83 83 ARG CG C 13 26.2 0.2 . 1 . . . . 83 ARG CG . 16774 1 968 . 1 1 83 83 ARG N N 15 121.8 0.2 . 1 . . . . 83 ARG N . 16774 1 969 . 1 1 84 84 ALA H H 1 8.42 0.02 . 1 . . . . 84 ALA H . 16774 1 970 . 1 1 84 84 ALA HA H 1 4.03 0.02 . 1 . . . . 84 ALA HA . 16774 1 971 . 1 1 84 84 ALA HB1 H 1 1.51 0.02 . 1 . . . . 84 ALA MB . 16774 1 972 . 1 1 84 84 ALA HB2 H 1 1.51 0.02 . 1 . . . . 84 ALA MB . 16774 1 973 . 1 1 84 84 ALA HB3 H 1 1.51 0.02 . 1 . . . . 84 ALA MB . 16774 1 974 . 1 1 84 84 ALA C C 13 180.6 0.2 . 1 . . . . 84 ALA C . 16774 1 975 . 1 1 84 84 ALA CA C 13 55.2 0.2 . 1 . . . . 84 ALA CA . 16774 1 976 . 1 1 84 84 ALA CB C 13 18.1 0.2 . 1 . . . . 84 ALA CB . 16774 1 977 . 1 1 84 84 ALA N N 15 118.5 0.2 . 1 . . . . 84 ALA N . 16774 1 978 . 1 1 85 85 ARG H H 1 7.57 0.02 . 1 . . . . 85 ARG H . 16774 1 979 . 1 1 85 85 ARG HA H 1 4.09 0.02 . 1 . . . . 85 ARG HA . 16774 1 980 . 1 1 85 85 ARG HB2 H 1 1.94 0.02 . 2 . . . . 85 ARG HB2 . 16774 1 981 . 1 1 85 85 ARG HB3 H 1 1.94 0.02 . 2 . . . . 85 ARG HB3 . 16774 1 982 . 1 1 85 85 ARG HD2 H 1 3.00 0.02 . 2 . . . . 85 ARG HD2 . 16774 1 983 . 1 1 85 85 ARG HD3 H 1 2.70 0.02 . 2 . . . . 85 ARG HD3 . 16774 1 984 . 1 1 85 85 ARG HG2 H 1 1.52 0.02 . 2 . . . . 85 ARG HG2 . 16774 1 985 . 1 1 85 85 ARG HG3 H 1 1.00 0.02 . 2 . . . . 85 ARG HG3 . 16774 1 986 . 1 1 85 85 ARG CA C 13 58.9 0.2 . 1 . . . . 85 ARG CA . 16774 1 987 . 1 1 85 85 ARG CB C 13 30.2 0.2 . 1 . . . . 85 ARG CB . 16774 1 988 . 1 1 85 85 ARG CD C 13 43.3 0.2 . 1 . . . . 85 ARG CD . 16774 1 989 . 1 1 85 85 ARG CG C 13 27.4 0.2 . 1 . . . . 85 ARG CG . 16774 1 990 . 1 1 85 85 ARG N N 15 118.6 0.2 . 1 . . . . 85 ARG N . 16774 1 991 . 1 1 86 86 LEU H H 1 8.48 0.02 . 1 . . . . 86 LEU H . 16774 1 992 . 1 1 86 86 LEU HA H 1 3.94 0.02 . 1 . . . . 86 LEU HA . 16774 1 993 . 1 1 86 86 LEU HB2 H 1 2.00 0.02 . 1 . . . . 86 LEU HB2 . 16774 1 994 . 1 1 86 86 LEU HB3 H 1 1.34 0.02 . 1 . . . . 86 LEU HB3 . 16774 1 995 . 1 1 86 86 LEU HD11 H 1 0.31 0.02 . 2 . . . . 86 LEU MD1 . 16774 1 996 . 1 1 86 86 LEU HD12 H 1 0.31 0.02 . 2 . . . . 86 LEU MD1 . 16774 1 997 . 1 1 86 86 LEU HD13 H 1 0.31 0.02 . 2 . . . . 86 LEU MD1 . 16774 1 998 . 1 1 86 86 LEU HD21 H 1 0.31 0.02 . 2 . . . . 86 LEU MD2 . 16774 1 999 . 1 1 86 86 LEU HD22 H 1 0.31 0.02 . 2 . . . . 86 LEU MD2 . 16774 1 1000 . 1 1 86 86 LEU HD23 H 1 0.31 0.02 . 2 . . . . 86 LEU MD2 . 16774 1 1001 . 1 1 86 86 LEU HG H 1 0.49 0.02 . 1 . . . . 86 LEU HG . 16774 1 1002 . 1 1 86 86 LEU C C 13 179.6 0.2 . 1 . . . . 86 LEU C . 16774 1 1003 . 1 1 86 86 LEU CA C 13 56.9 0.2 . 1 . . . . 86 LEU CA . 16774 1 1004 . 1 1 86 86 LEU CB C 13 42.2 0.2 . 1 . . . . 86 LEU CB . 16774 1 1005 . 1 1 86 86 LEU CD1 C 13 23.6 0.2 . 1 . . . . 86 LEU CD1 . 16774 1 1006 . 1 1 86 86 LEU CD2 C 13 23.5 0.2 . 1 . . . . 86 LEU CD2 . 16774 1 1007 . 1 1 86 86 LEU CG C 13 25.8 0.2 . 1 . . . . 86 LEU CG . 16774 1 1008 . 1 1 86 86 LEU N N 15 118.7 0.2 . 1 . . . . 86 LEU N . 16774 1 1009 . 1 1 87 87 ALA H H 1 9.26 0.02 . 1 . . . . 87 ALA H . 16774 1 1010 . 1 1 87 87 ALA HA H 1 5.30 0.02 . 1 . . . . 87 ALA HA . 16774 1 1011 . 1 1 87 87 ALA HB1 H 1 1.66 0.02 . 1 . . . . 87 ALA MB . 16774 1 1012 . 1 1 87 87 ALA HB2 H 1 1.66 0.02 . 1 . . . . 87 ALA MB . 16774 1 1013 . 1 1 87 87 ALA HB3 H 1 1.66 0.02 . 1 . . . . 87 ALA MB . 16774 1 1014 . 1 1 87 87 ALA C C 13 179.7 0.2 . 1 . . . . 87 ALA C . 16774 1 1015 . 1 1 87 87 ALA CA C 13 54.1 0.2 . 1 . . . . 87 ALA CA . 16774 1 1016 . 1 1 87 87 ALA CB C 13 18.4 0.2 . 1 . . . . 87 ALA CB . 16774 1 1017 . 1 1 87 87 ALA N N 15 120.3 0.2 . 1 . . . . 87 ALA N . 16774 1 1018 . 1 1 88 88 ALA H H 1 7.29 0.02 . 1 . . . . 88 ALA H . 16774 1 1019 . 1 1 88 88 ALA HA H 1 4.35 0.02 . 1 . . . . 88 ALA HA . 16774 1 1020 . 1 1 88 88 ALA HB1 H 1 1.60 0.02 . 1 . . . . 88 ALA MB . 16774 1 1021 . 1 1 88 88 ALA HB2 H 1 1.60 0.02 . 1 . . . . 88 ALA MB . 16774 1 1022 . 1 1 88 88 ALA HB3 H 1 1.60 0.02 . 1 . . . . 88 ALA MB . 16774 1 1023 . 1 1 88 88 ALA C C 13 178.4 0.2 . 1 . . . . 88 ALA C . 16774 1 1024 . 1 1 88 88 ALA CA C 13 54.4 0.2 . 1 . . . . 88 ALA CA . 16774 1 1025 . 1 1 88 88 ALA CB C 13 18.3 0.2 . 1 . . . . 88 ALA CB . 16774 1 1026 . 1 1 88 88 ALA N N 15 119.6 0.2 . 1 . . . . 88 ALA N . 16774 1 1027 . 1 1 89 89 GLN H H 1 7.89 0.02 . 1 . . . . 89 GLN H . 16774 1 1028 . 1 1 89 89 GLN HA H 1 4.76 0.02 . 1 . . . . 89 GLN HA . 16774 1 1029 . 1 1 89 89 GLN HB2 H 1 2.68 0.02 . 2 . . . . 89 GLN HB2 . 16774 1 1030 . 1 1 89 89 GLN HB3 H 1 2.33 0.02 . 2 . . . . 89 GLN HB3 . 16774 1 1031 . 1 1 89 89 GLN HE21 H 1 7.90 0.02 . 2 . . . . 89 GLN HE21 . 16774 1 1032 . 1 1 89 89 GLN HE22 H 1 6.85 0.02 . 2 . . . . 89 GLN HE22 . 16774 1 1033 . 1 1 89 89 GLN HG2 H 1 2.44 0.02 . 2 . . . . 89 GLN HG2 . 16774 1 1034 . 1 1 89 89 GLN HG3 H 1 2.20 0.02 . 2 . . . . 89 GLN HG3 . 16774 1 1035 . 1 1 89 89 GLN C C 13 175.7 0.2 . 1 . . . . 89 GLN C . 16774 1 1036 . 1 1 89 89 GLN CA C 13 54.9 0.2 . 1 . . . . 89 GLN CA . 16774 1 1037 . 1 1 89 89 GLN CB C 13 28.9 0.2 . 1 . . . . 89 GLN CB . 16774 1 1038 . 1 1 89 89 GLN CG C 13 34.0 0.2 . 1 . . . . 89 GLN CG . 16774 1 1039 . 1 1 89 89 GLN N N 15 114.1 0.2 . 1 . . . . 89 GLN N . 16774 1 1040 . 1 1 89 89 GLN NE2 N 15 111.5 0.2 . 1 . . . . 89 GLN NE2 . 16774 1 1041 . 1 1 90 90 GLY H H 1 7.89 0.02 . 1 . . . . 90 GLY H . 16774 1 1042 . 1 1 90 90 GLY HA2 H 1 4.53 0.02 . 2 . . . . 90 GLY HA2 . 16774 1 1043 . 1 1 90 90 GLY HA3 H 1 3.91 0.02 . 2 . . . . 90 GLY HA3 . 16774 1 1044 . 1 1 90 90 GLY C C 13 171.9 0.2 . 1 . . . . 90 GLY C . 16774 1 1045 . 1 1 90 90 GLY CA C 13 44.3 0.2 . 1 . . . . 90 GLY CA . 16774 1 1046 . 1 1 90 90 GLY N N 15 108.4 0.2 . 1 . . . . 90 GLY N . 16774 1 1047 . 1 1 91 91 TRP H H 1 8.49 0.02 . 1 . . . . 91 TRP H . 16774 1 1048 . 1 1 91 91 TRP HA H 1 4.51 0.02 . 1 . . . . 91 TRP HA . 16774 1 1049 . 1 1 91 91 TRP HB2 H 1 3.37 0.02 . 2 . . . . 91 TRP HB2 . 16774 1 1050 . 1 1 91 91 TRP HB3 H 1 3.13 0.02 . 2 . . . . 91 TRP HB3 . 16774 1 1051 . 1 1 91 91 TRP HD1 H 1 7.09 0.02 . 1 . . . . 91 TRP HD1 . 16774 1 1052 . 1 1 91 91 TRP HE1 H 1 10.35 0.02 . 1 . . . . 91 TRP HE1 . 16774 1 1053 . 1 1 91 91 TRP HE3 H 1 8.07 0.02 . 1 . . . . 91 TRP HE3 . 16774 1 1054 . 1 1 91 91 TRP HH2 H 1 7.32 0.02 . 1 . . . . 91 TRP HH2 . 16774 1 1055 . 1 1 91 91 TRP HZ2 H 1 7.64 0.02 . 1 . . . . 91 TRP HZ2 . 16774 1 1056 . 1 1 91 91 TRP HZ3 H 1 7.51 0.02 . 1 . . . . 91 TRP HZ3 . 16774 1 1057 . 1 1 91 91 TRP C C 13 171.9 0.2 . 1 . . . . 91 TRP C . 16774 1 1058 . 1 1 91 91 TRP CA C 13 55.7 0.2 . 1 . . . . 91 TRP CA . 16774 1 1059 . 1 1 91 91 TRP CB C 13 29.1 0.2 . 1 . . . . 91 TRP CB . 16774 1 1060 . 1 1 91 91 TRP CD1 C 13 127.7 0.2 . 1 . . . . 91 TRP CD1 . 16774 1 1061 . 1 1 91 91 TRP CE3 C 13 121.5 0.2 . 1 . . . . 91 TRP CE3 . 16774 1 1062 . 1 1 91 91 TRP CH2 C 13 124.3 0.2 . 1 . . . . 91 TRP CH2 . 16774 1 1063 . 1 1 91 91 TRP CZ2 C 13 115.2 0.2 . 1 . . . . 91 TRP CZ2 . 16774 1 1064 . 1 1 91 91 TRP CZ3 C 13 121.5 0.2 . 1 . . . . 91 TRP CZ3 . 16774 1 1065 . 1 1 91 91 TRP N N 15 115.8 0.2 . 1 . . . . 91 TRP N . 16774 1 1066 . 1 1 91 91 TRP NE1 N 15 130.1 0.2 . 1 . . . . 91 TRP NE1 . 16774 1 1067 . 1 1 92 92 PRO HA H 1 4.43 0.02 . 1 . . . . 92 PRO HA . 16774 1 1068 . 1 1 92 92 PRO HB2 H 1 1.85 0.02 . 2 . . . . 92 PRO HB2 . 16774 1 1069 . 1 1 92 92 PRO HB3 H 1 1.54 0.02 . 2 . . . . 92 PRO HB3 . 16774 1 1070 . 1 1 92 92 PRO HD2 H 1 2.24 0.02 . 2 . . . . 92 PRO HD2 . 16774 1 1071 . 1 1 92 92 PRO HD3 H 1 0.96 0.02 . 2 . . . . 92 PRO HD3 . 16774 1 1072 . 1 1 92 92 PRO HG2 H 1 1.08 0.02 . 1 . . . . 92 PRO HG2 . 16774 1 1073 . 1 1 92 92 PRO HG3 H 1 0.37 0.02 . 1 . . . . 92 PRO HG3 . 16774 1 1074 . 1 1 92 92 PRO C C 13 175.5 0.2 . 1 . . . . 92 PRO C . 16774 1 1075 . 1 1 92 92 PRO CA C 13 65.2 0.2 . 1 . . . . 92 PRO CA . 16774 1 1076 . 1 1 92 92 PRO CB C 13 31.3 0.2 . 1 . . . . 92 PRO CB . 16774 1 1077 . 1 1 92 92 PRO CD C 13 48.0 0.2 . 1 . . . . 92 PRO CD . 16774 1 1078 . 1 1 92 92 PRO CG C 13 26.4 0.2 . 1 . . . . 92 PRO CG . 16774 1 1079 . 1 1 93 93 LEU HA H 1 3.80 0.02 . 1 . . . . 93 LEU HA . 16774 1 1080 . 1 1 93 93 LEU HB2 H 1 1.24 0.02 . 2 . . . . 93 LEU HB2 . 16774 1 1081 . 1 1 93 93 LEU HB3 H 1 0.80 0.02 . 2 . . . . 93 LEU HB3 . 16774 1 1082 . 1 1 93 93 LEU HD11 H 1 0.71 0.02 . 2 . . . . 93 LEU MD1 . 16774 1 1083 . 1 1 93 93 LEU HD12 H 1 0.71 0.02 . 2 . . . . 93 LEU MD1 . 16774 1 1084 . 1 1 93 93 LEU HD13 H 1 0.71 0.02 . 2 . . . . 93 LEU MD1 . 16774 1 1085 . 1 1 93 93 LEU HD21 H 1 0.71 0.02 . 2 . . . . 93 LEU MD2 . 16774 1 1086 . 1 1 93 93 LEU HD22 H 1 0.71 0.02 . 2 . . . . 93 LEU MD2 . 16774 1 1087 . 1 1 93 93 LEU HD23 H 1 0.71 0.02 . 2 . . . . 93 LEU MD2 . 16774 1 1088 . 1 1 93 93 LEU CA C 13 55.8 0.2 . 1 . . . . 93 LEU CA . 16774 1 1089 . 1 1 93 93 LEU CB C 13 41.9 0.2 . 1 . . . . 93 LEU CB . 16774 1 1090 . 1 1 93 93 LEU CD1 C 13 23.7 0.2 . 2 . . . . 93 LEU CD1 . 16774 1 1091 . 1 1 93 93 LEU CD2 C 13 23.7 0.2 . 2 . . . . 93 LEU CD2 . 16774 1 1092 . 1 1 93 93 LEU CG C 13 25.0 . . 1 . . . . 93 LEU CG . 16774 1 1093 . 1 1 94 94 ASP H H 1 7.49 0.02 . 1 . . . . 94 ASP H . 16774 1 1094 . 1 1 94 94 ASP HB2 H 1 2.99 0.02 . 2 . . . . 94 ASP HB2 . 16774 1 1095 . 1 1 94 94 ASP HB3 H 1 2.70 0.02 . 2 . . . . 94 ASP HB3 . 16774 1 1096 . 1 1 94 94 ASP C C 13 175.8 0.2 . 1 . . . . 94 ASP C . 16774 1 1097 . 1 1 94 94 ASP CA C 13 54.2 0.2 . 1 . . . . 94 ASP CA . 16774 1 1098 . 1 1 94 94 ASP CB C 13 41.8 0.02 . 1 . . . . 94 ASP CB . 16774 1 1099 . 1 1 94 94 ASP N N 15 115.8 0.2 . 1 . . . . 94 ASP N . 16774 1 1100 . 1 1 95 95 ASP H H 1 7.73 0.02 . 1 . . . . 95 ASP H . 16774 1 1101 . 1 1 95 95 ASP HA H 1 4.58 0.02 . 1 . . . . 95 ASP HA . 16774 1 1102 . 1 1 95 95 ASP HB2 H 1 2.75 0.02 . 2 . . . . 95 ASP HB2 . 16774 1 1103 . 1 1 95 95 ASP HB3 H 1 2.75 0.02 . 2 . . . . 95 ASP HB3 . 16774 1 1104 . 1 1 95 95 ASP C C 13 175.9 0.2 . 1 . . . . 95 ASP C . 16774 1 1105 . 1 1 95 95 ASP CA C 13 54.5 0.2 . 1 . . . . 95 ASP CA . 16774 1 1106 . 1 1 95 95 ASP CB C 13 40.9 0.2 . 1 . . . . 95 ASP CB . 16774 1 1107 . 1 1 95 95 ASP N N 15 121.5 0.2 . 1 . . . . 95 ASP N . 16774 1 1108 . 1 1 96 96 VAL H H 1 8.10 0.02 . 1 . . . . 96 VAL H . 16774 1 1109 . 1 1 96 96 VAL HA H 1 3.91 0.02 . 1 . . . . 96 VAL HA . 16774 1 1110 . 1 1 96 96 VAL HB H 1 2.05 0.02 . 1 . . . . 96 VAL HB . 16774 1 1111 . 1 1 96 96 VAL HG11 H 1 0.95 0.02 . 2 . . . . 96 VAL MG1 . 16774 1 1112 . 1 1 96 96 VAL HG12 H 1 0.95 0.02 . 2 . . . . 96 VAL MG1 . 16774 1 1113 . 1 1 96 96 VAL HG13 H 1 0.95 0.02 . 2 . . . . 96 VAL MG1 . 16774 1 1114 . 1 1 96 96 VAL HG21 H 1 0.95 0.02 . 2 . . . . 96 VAL MG2 . 16774 1 1115 . 1 1 96 96 VAL HG22 H 1 0.95 0.02 . 2 . . . . 96 VAL MG2 . 16774 1 1116 . 1 1 96 96 VAL HG23 H 1 0.95 0.02 . 2 . . . . 96 VAL MG2 . 16774 1 1117 . 1 1 96 96 VAL C C 13 176.5 0.2 . 1 . . . . 96 VAL C . 16774 1 1118 . 1 1 96 96 VAL CA C 13 62.6 0.2 . 1 . . . . 96 VAL CA . 16774 1 1119 . 1 1 96 96 VAL CB C 13 32.1 0.2 . 1 . . . . 96 VAL CB . 16774 1 1120 . 1 1 96 96 VAL CG1 C 13 20.6 0.2 . 2 . . . . 96 VAL CG1 . 16774 1 1121 . 1 1 96 96 VAL CG2 C 13 20.6 0.2 . 2 . . . . 96 VAL CG2 . 16774 1 1122 . 1 1 96 96 VAL N N 15 118.7 0.2 . 1 . . . . 96 VAL N . 16774 1 1123 . 1 1 97 97 ARG H H 1 8.25 0.02 . 1 . . . . 97 ARG H . 16774 1 1124 . 1 1 97 97 ARG HA H 1 4.10 0.02 . 1 . . . . 97 ARG HA . 16774 1 1125 . 1 1 97 97 ARG HB2 H 1 1.72 0.02 . 2 . . . . 97 ARG HB2 . 16774 1 1126 . 1 1 97 97 ARG HB3 H 1 1.62 0.02 . 2 . . . . 97 ARG HB3 . 16774 1 1127 . 1 1 97 97 ARG HD2 H 1 2.88 0.02 . 2 . . . . 97 ARG HD2 . 16774 1 1128 . 1 1 97 97 ARG HD3 H 1 2.88 0.02 . 2 . . . . 97 ARG HD3 . 16774 1 1129 . 1 1 97 97 ARG HG2 H 1 1.42 0.02 . 2 . . . . 97 ARG HG2 . 16774 1 1130 . 1 1 97 97 ARG HG3 H 1 1.24 0.02 . 2 . . . . 97 ARG HG3 . 16774 1 1131 . 1 1 97 97 ARG C C 13 176.2 0.2 . 1 . . . . 97 ARG C . 16774 1 1132 . 1 1 97 97 ARG CA C 13 56.4 0.2 . 1 . . . . 97 ARG CA . 16774 1 1133 . 1 1 97 97 ARG CB C 13 30.6 0.2 . 1 . . . . 97 ARG CB . 16774 1 1134 . 1 1 97 97 ARG CD C 13 43.0 0.2 . 1 . . . . 97 ARG CD . 16774 1 1135 . 1 1 97 97 ARG CG C 13 26.8 0.2 . 1 . . . . 97 ARG CG . 16774 1 1136 . 1 1 97 97 ARG N N 15 124.3 0.2 . 1 . . . . 97 ARG N . 16774 1 1137 . 1 1 98 98 ASP H H 1 8.42 0.02 . 1 . . . . 98 ASP H . 16774 1 1138 . 1 1 98 98 ASP HA H 1 4.59 0.02 . 1 . . . . 98 ASP HA . 16774 1 1139 . 1 1 98 98 ASP HB2 H 1 2.74 0.02 . 2 . . . . 98 ASP HB2 . 16774 1 1140 . 1 1 98 98 ASP HB3 H 1 2.74 0.02 . 2 . . . . 98 ASP HB3 . 16774 1 1141 . 1 1 98 98 ASP CA C 13 54.5 0.2 . 1 . . . . 98 ASP CA . 16774 1 1142 . 1 1 98 98 ASP CB C 13 40.9 0.2 . 1 . . . . 98 ASP CB . 16774 1 1143 . 1 1 98 98 ASP N N 15 120.2 0.2 . 1 . . . . 98 ASP N . 16774 1 1144 . 1 1 99 99 ARG H H 1 8.24 0.02 . 1 . . . . 99 ARG H . 16774 1 1145 . 1 1 99 99 ARG C C 13 176.3 0.2 . 1 . . . . 99 ARG C . 16774 1 1146 . 1 1 99 99 ARG CA C 13 56.4 0.2 . 1 . . . . 99 ARG CA . 16774 1 1147 . 1 1 99 99 ARG CB C 13 30.8 0.2 . 1 . . . . 99 ARG CB . 16774 1 1148 . 1 1 99 99 ARG CD C 13 43.3 0.2 . 1 . . . . 99 ARG CD . 16774 1 1149 . 1 1 99 99 ARG CG C 13 26.9 0.2 . 1 . . . . 99 ARG CG . 16774 1 1150 . 1 1 99 99 ARG N N 15 121.1 0.2 . 1 . . . . 99 ARG N . 16774 1 1151 . 1 1 100 100 GLU H H 1 8.50 0.02 . 1 . . . . 100 GLU H . 16774 1 1152 . 1 1 100 100 GLU HA H 1 4.25 0.02 . 1 . . . . 100 GLU HA . 16774 1 1153 . 1 1 100 100 GLU HB2 H 1 1.95 0.02 . 2 . . . . 100 GLU HB2 . 16774 1 1154 . 1 1 100 100 GLU HB3 H 1 1.95 0.02 . 2 . . . . 100 GLU HB3 . 16774 1 1155 . 1 1 100 100 GLU HG2 H 1 1.66 0.02 . 2 . . . . 100 GLU HG2 . 16774 1 1156 . 1 1 100 100 GLU HG3 H 1 1.66 0.02 . 2 . . . . 100 GLU HG3 . 16774 1 1157 . 1 1 100 100 GLU CA C 13 56.6 0.2 . 1 . . . . 100 GLU CA . 16774 1 1158 . 1 1 100 100 GLU CB C 13 30.3 0.2 . 1 . . . . 100 GLU CB . 16774 1 1159 . 1 1 100 100 GLU N N 15 121.6 0.2 . 1 . . . . 100 GLU N . 16774 1 1160 . 1 1 101 101 GLU HG2 H 1 2.25 0.02 . 2 . . . . 101 GLU HG2 . 16774 1 1161 . 1 1 101 101 GLU HG3 H 1 2.17 0.02 . 2 . . . . 101 GLU HG3 . 16774 1 1162 . 1 1 101 101 GLU C C 13 176.3 0.2 . 1 . . . . 101 GLU C . 16774 1 1163 . 1 1 101 101 GLU CA C 13 56.6 0.2 . 1 . . . . 101 GLU CA . 16774 1 1164 . 1 1 101 101 GLU CB C 13 30.0 0.2 . 1 . . . . 101 GLU CB . 16774 1 1165 . 1 1 101 101 GLU CG C 13 36.1 0.2 . 1 . . . . 101 GLU CG . 16774 1 1166 . 1 1 102 102 HIS H H 1 8.44 0.02 . 1 . . . . 102 HIS H . 16774 1 1167 . 1 1 102 102 HIS HA H 1 4.71 0.02 . 1 . . . . 102 HIS HA . 16774 1 1168 . 1 1 102 102 HIS HB2 H 1 3.21 0.02 . 2 . . . . 102 HIS HB2 . 16774 1 1169 . 1 1 102 102 HIS HB3 H 1 3.12 0.02 . 2 . . . . 102 HIS HB3 . 16774 1 1170 . 1 1 102 102 HIS HD2 H 1 7.10 0.02 . 1 . . . . 102 HIS HD2 . 16774 1 1171 . 1 1 102 102 HIS C C 13 174.9 0.2 . 1 . . . . 102 HIS C . 16774 1 1172 . 1 1 102 102 HIS CA C 13 55.7 0.2 . 1 . . . . 102 HIS CA . 16774 1 1173 . 1 1 102 102 HIS CB C 13 30.4 0.2 . 1 . . . . 102 HIS CB . 16774 1 1174 . 1 1 102 102 HIS CD2 C 13 120.0 0.2 . 1 . . . . 102 HIS CD2 . 16774 1 1175 . 1 1 102 102 HIS N N 15 120.6 0.2 . 1 . . . . 102 HIS N . 16774 1 1176 . 1 1 103 103 ALA H H 1 8.39 0.02 . 1 . . . . 103 ALA H . 16774 1 1177 . 1 1 103 103 ALA HA H 1 4.38 0.02 . 1 . . . . 103 ALA HA . 16774 1 1178 . 1 1 103 103 ALA HB1 H 1 1.43 0.02 . 1 . . . . 103 ALA MB . 16774 1 1179 . 1 1 103 103 ALA HB2 H 1 1.43 0.02 . 1 . . . . 103 ALA MB . 16774 1 1180 . 1 1 103 103 ALA HB3 H 1 1.43 0.02 . 1 . . . . 103 ALA MB . 16774 1 1181 . 1 1 103 103 ALA CA C 13 52.7 0.2 . 1 . . . . 103 ALA CA . 16774 1 1182 . 1 1 103 103 ALA CB C 13 19.3 0.2 . 1 . . . . 103 ALA CB . 16774 1 1183 . 1 1 103 103 ALA N N 15 125.8 0.2 . 1 . . . . 103 ALA N . 16774 1 stop_ save_