data_7000 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7000 _Entry.Title ; Solution structure of the conserved hypothetical protein Rv2302 from the bacterium Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-23 _Entry.Accession_date 2006-02-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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. . 7000 2 Chang Kim . Y. . 7000 3 Thomas Terwilliger . C. . 7000 4 Michael Kennedy . A. . 7000 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . TBSGC . 7000 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7000 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 7000 '15N chemical shifts' 74 7000 '1H chemical shifts' 460 7000 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 3 . . 2006-09-06 2006-02-22 update author 'update the residue sequence' 7000 2 . . 2006-08-30 2006-02-22 update author 'update the citation' 7000 1 . . 2006-03-20 2006-02-22 original author 'original release' 7000 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2A7Y 'BMRB Entry Tracking System' 7000 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7000 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16885468 _Citation.Full_citation . _Citation.Title 'Solution structure of the conserved hypothetical protein Rv2302 from the bacterium Mycobacterium tuberculosis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full . _Citation.Journal_volume 188 _Citation.Journal_issue 16 _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 5993 _Citation.Page_last 6001 _Citation.Year 2006 _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. . 7000 1 2 Chang Kim . Y. . 7000 1 3 Thomas Terwilliger . C. . 7000 1 4 Michael Kennedy . A. . 7000 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'circular dichroism' 7000 1 'structural genomics' 7000 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7000 _Assembly.ID 1 _Assembly.Name Rv2302 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 Rv2302 1 $Rv2302 . . yes native no no . . . 7000 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID unknown 7000 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv2302 _Entity.Sf_category entity _Entity.Sf_framecode Rv2302 _Entity.Entry_ID 7000 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv2302 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMHAKVGDYLVVKGTTTE RHDQHAEIIEVRSADGSPPY VVRWLVNGHETTVYPGSDAV VVTATEHAEAEKRAAARAGH AAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 2A7Y . "Solution Structure Of The Conserved Hypothetical Protein Rv2302 From The Bacterium Mycobacterium Tuberculosis" . . . . . 100.00 83 100.00 100.00 9.59e-51 . . . . 7000 1 2 no DBJ BAH26596 . "hypothetical protein JTY_2312 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 3 no DBJ BAL66308 . "hypothetical protein ERDMAN_2517 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 4 no DBJ BAQ06374 . "hypothetical protein KURONO_2580 [Mycobacterium tuberculosis str. Kurono]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 5 no DBJ GAA45983 . "hypothetical protein NCGM2209_2612 [Mycobacterium tuberculosis NCGM2209]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 6 no EMBL CAD97185 . "CONSERVED HYPOTHETICAL PROTEIN [Mycobacterium bovis AF2122/97]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 7 no EMBL CAL72306 . "Conserved hypothetical protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 8 no EMBL CCC27379 . "conserved hypothetical protein [Mycobacterium africanum GM041182]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 9 no EMBL CCC44660 . "conserved hypothetical protein [Mycobacterium canettii CIPT 140010059]" . . . . . 96.39 80 98.75 100.00 5.03e-48 . . . . 7000 1 10 no EMBL CCC64895 . "conserved hypothetical protein [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 11 no GB AAK46644 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 12 no GB ABQ74085 . "hypothetical protein MRA_2318A [Mycobacterium tuberculosis H37Ra]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 13 no GB ABR06654 . "conserved hypothetical protein [Mycobacterium tuberculosis F11]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 14 no GB ACT24737 . "conserved hypothetical protein [Mycobacterium tuberculosis KZN 1435]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 15 no GB AEB03820 . "conserved hypothetical protein [Mycobacterium tuberculosis KZN 4207]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 16 no REF NP_216818 . "hypothetical protein Rv2302 [Mycobacterium tuberculosis H37Rv]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 17 no REF NP_336830 . "hypothetical protein MT2359 [Mycobacterium tuberculosis CDC1551]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 18 no REF NP_855973 . "hypothetical protein Mb2324 [Mycobacterium bovis AF2122/97]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 19 no REF WP_003411866 . "MULTISPECIES: hypothetical protein [Mycobacterium tuberculosis complex]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 20 no REF WP_014001212 . "hypothetical protein [Mycobacterium canettii]" . . . . . 96.39 80 98.75 100.00 5.03e-48 . . . . 7000 1 21 no SP P64984 . "RecName: Full=Uncharacterized protein Mb2324 [Mycobacterium bovis AF2122/97]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 22 no SP P9WLD4 . "RecName: Full=Uncharacterized protein MT2359 [Mycobacterium tuberculosis CDC1551]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 1 23 no SP P9WLD5 . "RecName: Full=Uncharacterized protein Rv2302 [Mycobacterium tuberculosis H37Rv]" . . . . . 96.39 80 100.00 100.00 2.27e-48 . . . . 7000 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 -3 GLY . 7000 1 2 -2 SER . 7000 1 3 -1 HIS . 7000 1 4 1 MET . 7000 1 5 2 HIS . 7000 1 6 3 ALA . 7000 1 7 4 LYS . 7000 1 8 5 VAL . 7000 1 9 6 GLY . 7000 1 10 7 ASP . 7000 1 11 8 TYR . 7000 1 12 9 LEU . 7000 1 13 10 VAL . 7000 1 14 11 VAL . 7000 1 15 12 LYS . 7000 1 16 13 GLY . 7000 1 17 14 THR . 7000 1 18 15 THR . 7000 1 19 16 THR . 7000 1 20 17 GLU . 7000 1 21 18 ARG . 7000 1 22 19 HIS . 7000 1 23 20 ASP . 7000 1 24 21 GLN . 7000 1 25 22 HIS . 7000 1 26 23 ALA . 7000 1 27 24 GLU . 7000 1 28 25 ILE . 7000 1 29 26 ILE . 7000 1 30 27 GLU . 7000 1 31 28 VAL . 7000 1 32 29 ARG . 7000 1 33 30 SER . 7000 1 34 31 ALA . 7000 1 35 32 ASP . 7000 1 36 33 GLY . 7000 1 37 34 SER . 7000 1 38 35 PRO . 7000 1 39 36 PRO . 7000 1 40 37 TYR . 7000 1 41 38 VAL . 7000 1 42 39 VAL . 7000 1 43 40 ARG . 7000 1 44 41 TRP . 7000 1 45 42 LEU . 7000 1 46 43 VAL . 7000 1 47 44 ASN . 7000 1 48 45 GLY . 7000 1 49 46 HIS . 7000 1 50 47 GLU . 7000 1 51 48 THR . 7000 1 52 49 THR . 7000 1 53 50 VAL . 7000 1 54 51 TYR . 7000 1 55 52 PRO . 7000 1 56 53 GLY . 7000 1 57 54 SER . 7000 1 58 55 ASP . 7000 1 59 56 ALA . 7000 1 60 57 VAL . 7000 1 61 58 VAL . 7000 1 62 59 VAL . 7000 1 63 60 THR . 7000 1 64 61 ALA . 7000 1 65 62 THR . 7000 1 66 63 GLU . 7000 1 67 64 HIS . 7000 1 68 65 ALA . 7000 1 69 66 GLU . 7000 1 70 67 ALA . 7000 1 71 68 GLU . 7000 1 72 69 LYS . 7000 1 73 70 ARG . 7000 1 74 71 ALA . 7000 1 75 72 ALA . 7000 1 76 73 ALA . 7000 1 77 74 ARG . 7000 1 78 75 ALA . 7000 1 79 76 GLY . 7000 1 80 77 HIS . 7000 1 81 78 ALA . 7000 1 82 79 ALA . 7000 1 83 80 THR . 7000 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 7000 1 . SER 2 2 7000 1 . HIS 3 3 7000 1 . MET 4 4 7000 1 . HIS 5 5 7000 1 . ALA 6 6 7000 1 . LYS 7 7 7000 1 . VAL 8 8 7000 1 . GLY 9 9 7000 1 . ASP 10 10 7000 1 . TYR 11 11 7000 1 . LEU 12 12 7000 1 . VAL 13 13 7000 1 . VAL 14 14 7000 1 . LYS 15 15 7000 1 . GLY 16 16 7000 1 . THR 17 17 7000 1 . THR 18 18 7000 1 . THR 19 19 7000 1 . GLU 20 20 7000 1 . ARG 21 21 7000 1 . HIS 22 22 7000 1 . ASP 23 23 7000 1 . GLN 24 24 7000 1 . HIS 25 25 7000 1 . ALA 26 26 7000 1 . GLU 27 27 7000 1 . ILE 28 28 7000 1 . ILE 29 29 7000 1 . GLU 30 30 7000 1 . VAL 31 31 7000 1 . ARG 32 32 7000 1 . SER 33 33 7000 1 . ALA 34 34 7000 1 . ASP 35 35 7000 1 . GLY 36 36 7000 1 . SER 37 37 7000 1 . PRO 38 38 7000 1 . PRO 39 39 7000 1 . TYR 40 40 7000 1 . VAL 41 41 7000 1 . VAL 42 42 7000 1 . ARG 43 43 7000 1 . TRP 44 44 7000 1 . LEU 45 45 7000 1 . VAL 46 46 7000 1 . ASN 47 47 7000 1 . GLY 48 48 7000 1 . HIS 49 49 7000 1 . GLU 50 50 7000 1 . THR 51 51 7000 1 . THR 52 52 7000 1 . VAL 53 53 7000 1 . TYR 54 54 7000 1 . PRO 55 55 7000 1 . GLY 56 56 7000 1 . SER 57 57 7000 1 . ASP 58 58 7000 1 . ALA 59 59 7000 1 . VAL 60 60 7000 1 . VAL 61 61 7000 1 . VAL 62 62 7000 1 . THR 63 63 7000 1 . ALA 64 64 7000 1 . THR 65 65 7000 1 . GLU 66 66 7000 1 . HIS 67 67 7000 1 . ALA 68 68 7000 1 . GLU 69 69 7000 1 . ALA 70 70 7000 1 . GLU 71 71 7000 1 . LYS 72 72 7000 1 . ARG 73 73 7000 1 . ALA 74 74 7000 1 . ALA 75 75 7000 1 . ALA 76 76 7000 1 . ARG 77 77 7000 1 . ALA 78 78 7000 1 . GLY 79 79 7000 1 . HIS 80 80 7000 1 . ALA 81 81 7000 1 . ALA 82 82 7000 1 . THR 83 83 7000 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 7000 _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 $Rv2302 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 7000 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID 1 1 $Rv2302 . . . . . . . . 7000 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 7000 _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 $Rv2302 . 'recombinant technology' . 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7000 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7000 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv2302 '[U-13C; U-15N]' . . 1 $Rv2302 . protein 2 1 2 mM 0.3 . . . 7000 1 2 KCl none . . . . . salt 100 98 102 mM 2 . . . 7000 1 3 'potassium phosphate' none . . . . . salt 20 19 21 mM 1 . . . 7000 1 4 dithiothreitol none . . . . . salt 2 1.5 2.5 mM 0.5 . . . 7000 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7000 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.1 0.2 pH 7000 1 temperature 298 1 K 7000 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7000 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7000 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7000 _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 1H15N_HSQC_(example) no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 3 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 6 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 7 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 8 CC-TOCSY_NNH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 9 '4D CC-NOESY-HMQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 10 'N15edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7000 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7000 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7000 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7000 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7000 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7000 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7000 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 4 4 MET H H 1 8.18 0.02 . 1 . . . . 1 MET H . 7000 1 2 . 1 1 4 4 MET HA H 1 4.36 0.02 . 1 . . . . 1 MET HA . 7000 1 3 . 1 1 4 4 MET HB2 H 1 1.90 0.02 . 1 . . . . 1 MET HB2 . 7000 1 4 . 1 1 4 4 MET HB3 H 1 1.90 0.02 . 1 . . . . 1 MET HB3 . 7000 1 5 . 1 1 4 4 MET HG2 H 1 2.49 0.02 . 2 . . . . 1 MET HG2 . 7000 1 6 . 1 1 4 4 MET HG3 H 1 2.54 0.02 . 2 . . . . 1 MET HG3 . 7000 1 7 . 1 1 4 4 MET C C 13 174.0 0.2 . 1 . . . . 1 MET C . 7000 1 8 . 1 1 4 4 MET CA C 13 55.5 0.2 . 1 . . . . 1 MET CA . 7000 1 9 . 1 1 4 4 MET CB C 13 34.2 0.2 . 1 . . . . 1 MET CB . 7000 1 10 . 1 1 4 4 MET CG C 13 32.3 0.2 . 1 . . . . 1 MET CG . 7000 1 11 . 1 1 4 4 MET N N 15 122.8 0.2 . 1 . . . . 1 MET N . 7000 1 12 . 1 1 5 5 HIS H H 1 8.14 0.02 . 1 . . . . 2 HIS H . 7000 1 13 . 1 1 5 5 HIS HA H 1 4.69 0.02 . 1 . . . . 2 HIS HA . 7000 1 14 . 1 1 5 5 HIS HB2 H 1 3.04 0.02 . 2 . . . . 2 HIS HB2 . 7000 1 15 . 1 1 5 5 HIS HB3 H 1 2.97 0.02 . 2 . . . . 2 HIS HB3 . 7000 1 16 . 1 1 5 5 HIS C C 13 173.1 0.2 . 1 . . . . 2 HIS C . 7000 1 17 . 1 1 5 5 HIS CA C 13 55.4 0.2 . 1 . . . . 2 HIS CA . 7000 1 18 . 1 1 5 5 HIS CB C 13 32.3 0.2 . 1 . . . . 2 HIS CB . 7000 1 19 . 1 1 5 5 HIS N N 15 121.1 0.2 . 1 . . . . 2 HIS N . 7000 1 20 . 1 1 6 6 ALA H H 1 8.28 0.02 . 1 . . . . 3 ALA H . 7000 1 21 . 1 1 6 6 ALA HA H 1 4.47 0.02 . 1 . . . . 3 ALA HA . 7000 1 22 . 1 1 6 6 ALA HB1 H 1 0.76 0.02 . 1 . . . . 3 ALA HB . 7000 1 23 . 1 1 6 6 ALA HB2 H 1 0.76 0.02 . 1 . . . . 3 ALA HB . 7000 1 24 . 1 1 6 6 ALA HB3 H 1 0.76 0.02 . 1 . . . . 3 ALA HB . 7000 1 25 . 1 1 6 6 ALA C C 13 174.9 0.2 . 1 . . . . 3 ALA C . 7000 1 26 . 1 1 6 6 ALA CA C 13 50.8 0.2 . 1 . . . . 3 ALA CA . 7000 1 27 . 1 1 6 6 ALA CB C 13 24.8 0.2 . 1 . . . . 3 ALA CB . 7000 1 28 . 1 1 6 6 ALA N N 15 125.4 0.2 . 1 . . . . 3 ALA N . 7000 1 29 . 1 1 7 7 LYS H H 1 8.40 0.02 . 1 . . . . 4 LYS H . 7000 1 30 . 1 1 7 7 LYS HA H 1 4.47 0.02 . 1 . . . . 4 LYS HA . 7000 1 31 . 1 1 7 7 LYS HB2 H 1 1.68 0.02 . 1 . . . . 4 LYS HB2 . 7000 1 32 . 1 1 7 7 LYS HB3 H 1 1.68 0.02 . 1 . . . . 4 LYS HB3 . 7000 1 33 . 1 1 7 7 LYS HG2 H 1 1.29 0.02 . 2 . . . . 4 LYS HG2 . 7000 1 34 . 1 1 7 7 LYS HG3 H 1 1.47 0.02 . 2 . . . . 4 LYS HG3 . 7000 1 35 . 1 1 7 7 LYS HD2 H 1 1.66 0.02 . 1 . . . . 4 LYS HD2 . 7000 1 36 . 1 1 7 7 LYS HD3 H 1 1.66 0.02 . 1 . . . . 4 LYS HD3 . 7000 1 37 . 1 1 7 7 LYS HE2 H 1 3.04 0.02 . 1 . . . . 4 LYS HE2 . 7000 1 38 . 1 1 7 7 LYS HE3 H 1 3.04 0.02 . 1 . . . . 4 LYS HE3 . 7000 1 39 . 1 1 7 7 LYS C C 13 175.6 0.2 . 1 . . . . 4 LYS C . 7000 1 40 . 1 1 7 7 LYS CA C 13 53.5 0.2 . 1 . . . . 4 LYS CA . 7000 1 41 . 1 1 7 7 LYS CB C 13 34.4 0.2 . 1 . . . . 4 LYS CB . 7000 1 42 . 1 1 7 7 LYS CG C 13 24.1 0.2 . 1 . . . . 4 LYS CG . 7000 1 43 . 1 1 7 7 LYS CD C 13 29.1 0.2 . 1 . . . . 4 LYS CD . 7000 1 44 . 1 1 7 7 LYS CE C 13 42.9 0.2 . 1 . . . . 4 LYS CE . 7000 1 45 . 1 1 7 7 LYS N N 15 118.0 0.2 . 1 . . . . 4 LYS N . 7000 1 46 . 1 1 8 8 VAL H H 1 8.10 0.02 . 1 . . . . 5 VAL H . 7000 1 47 . 1 1 8 8 VAL HA H 1 3.07 0.02 . 1 . . . . 5 VAL HA . 7000 1 48 . 1 1 8 8 VAL HB H 1 1.80 0.02 . 1 . . . . 5 VAL HB . 7000 1 49 . 1 1 8 8 VAL HG11 H 1 0.87 0.02 . 1 . . . . 5 VAL HG1 . 7000 1 50 . 1 1 8 8 VAL HG12 H 1 0.87 0.02 . 1 . . . . 5 VAL HG1 . 7000 1 51 . 1 1 8 8 VAL HG13 H 1 0.87 0.02 . 1 . . . . 5 VAL HG1 . 7000 1 52 . 1 1 8 8 VAL HG21 H 1 0.91 0.02 . 1 . . . . 5 VAL HG2 . 7000 1 53 . 1 1 8 8 VAL HG22 H 1 0.91 0.02 . 1 . . . . 5 VAL HG2 . 7000 1 54 . 1 1 8 8 VAL HG23 H 1 0.91 0.02 . 1 . . . . 5 VAL HG2 . 7000 1 55 . 1 1 8 8 VAL C C 13 177.3 0.2 . 1 . . . . 5 VAL C . 7000 1 56 . 1 1 8 8 VAL CA C 13 65.7 0.2 . 1 . . . . 5 VAL CA . 7000 1 57 . 1 1 8 8 VAL CB C 13 31.6 0.2 . 1 . . . . 5 VAL CB . 7000 1 58 . 1 1 8 8 VAL CG1 C 13 21.6 0.2 . 1 . . . . 5 VAL CG1 . 7000 1 59 . 1 1 8 8 VAL CG2 C 13 23.5 0.2 . 1 . . . . 5 VAL CG2 . 7000 1 60 . 1 1 8 8 VAL N N 15 119.5 0.2 . 1 . . . . 5 VAL N . 7000 1 61 . 1 1 9 9 GLY H H 1 8.82 0.02 . 1 . . . . 6 GLY H . 7000 1 62 . 1 1 9 9 GLY HA2 H 1 4.29 0.02 . 2 . . . . 6 GLY HA2 . 7000 1 63 . 1 1 9 9 GLY HA3 H 1 3.53 0.02 . 2 . . . . 6 GLY HA3 . 7000 1 64 . 1 1 9 9 GLY C C 13 174.0 0.2 . 1 . . . . 6 GLY C . 7000 1 65 . 1 1 9 9 GLY CA C 13 44.8 0.2 . 1 . . . . 6 GLY CA . 7000 1 66 . 1 1 9 9 GLY N N 15 118.5 0.2 . 1 . . . . 6 GLY N . 7000 1 67 . 1 1 10 10 ASP H H 1 7.43 0.02 . 1 . . . . 7 ASP H . 7000 1 68 . 1 1 10 10 ASP HA H 1 4.59 0.02 . 1 . . . . 7 ASP HA . 7000 1 69 . 1 1 10 10 ASP HB2 H 1 2.66 0.02 . 1 . . . . 7 ASP HB2 . 7000 1 70 . 1 1 10 10 ASP HB3 H 1 2.66 0.02 . 1 . . . . 7 ASP HB3 . 7000 1 71 . 1 1 10 10 ASP C C 13 172.6 0.2 . 1 . . . . 7 ASP C . 7000 1 72 . 1 1 10 10 ASP CA C 13 54.8 0.2 . 1 . . . . 7 ASP CA . 7000 1 73 . 1 1 10 10 ASP CB C 13 41.6 0.2 . 1 . . . . 7 ASP CB . 7000 1 74 . 1 1 10 10 ASP N N 15 117.2 0.2 . 1 . . . . 7 ASP N . 7000 1 75 . 1 1 11 11 TYR H H 1 8.66 0.02 . 1 . . . . 8 TYR H . 7000 1 76 . 1 1 11 11 TYR HA H 1 4.97 0.02 . 1 . . . . 8 TYR HA . 7000 1 77 . 1 1 11 11 TYR HB2 H 1 2.31 0.02 . 2 . . . . 8 TYR HB2 . 7000 1 78 . 1 1 11 11 TYR HB3 H 1 2.05 0.02 . 2 . . . . 8 TYR HB3 . 7000 1 79 . 1 1 11 11 TYR HD1 H 1 6.79 0.02 . 1 . . . . 8 TYR HD1 . 7000 1 80 . 1 1 11 11 TYR HD2 H 1 6.79 0.02 . 1 . . . . 8 TYR HD2 . 7000 1 81 . 1 1 11 11 TYR HE1 H 1 6.72 0.02 . 1 . . . . 8 TYR HE1 . 7000 1 82 . 1 1 11 11 TYR HE2 H 1 6.72 0.02 . 1 . . . . 8 TYR HE2 . 7000 1 83 . 1 1 11 11 TYR C C 13 174.0 0.2 . 1 . . . . 8 TYR C . 7000 1 84 . 1 1 11 11 TYR CA C 13 57.2 0.2 . 1 . . . . 8 TYR CA . 7000 1 85 . 1 1 11 11 TYR CB C 13 41.9 0.2 . 1 . . . . 8 TYR CB . 7000 1 86 . 1 1 11 11 TYR CD1 C 13 132.3 0.2 . 1 . . . . 8 TYR CD1 . 7000 1 87 . 1 1 11 11 TYR CD2 C 13 132.3 0.2 . 1 . . . . 8 TYR CD2 . 7000 1 88 . 1 1 11 11 TYR CE1 C 13 117.7 0.2 . 1 . . . . 8 TYR CE1 . 7000 1 89 . 1 1 11 11 TYR CE2 C 13 117.7 0.2 . 1 . . . . 8 TYR CE2 . 7000 1 90 . 1 1 11 11 TYR N N 15 113.7 0.2 . 1 . . . . 8 TYR N . 7000 1 91 . 1 1 12 12 LEU H H 1 9.14 0.02 . 1 . . . . 9 LEU H . 7000 1 92 . 1 1 12 12 LEU HA H 1 4.82 0.02 . 1 . . . . 9 LEU HA . 7000 1 93 . 1 1 12 12 LEU HB2 H 1 1.44 0.02 . 2 . . . . 9 LEU HB2 . 7000 1 94 . 1 1 12 12 LEU HB3 H 1 0.74 0.02 . 2 . . . . 9 LEU HB3 . 7000 1 95 . 1 1 12 12 LEU HG H 1 0.70 0.02 . 1 . . . . 9 LEU HG . 7000 1 96 . 1 1 12 12 LEU HD11 H 1 0.64 0.02 . 2 . . . . 9 LEU HD1 . 7000 1 97 . 1 1 12 12 LEU HD12 H 1 0.64 0.02 . 2 . . . . 9 LEU HD1 . 7000 1 98 . 1 1 12 12 LEU HD13 H 1 0.64 0.02 . 2 . . . . 9 LEU HD1 . 7000 1 99 . 1 1 12 12 LEU HD21 H 1 1.33 0.02 . 2 . . . . 9 LEU HD2 . 7000 1 100 . 1 1 12 12 LEU HD22 H 1 1.33 0.02 . 2 . . . . 9 LEU HD2 . 7000 1 101 . 1 1 12 12 LEU HD23 H 1 1.33 0.02 . 2 . . . . 9 LEU HD2 . 7000 1 102 . 1 1 12 12 LEU C C 13 174.7 0.2 . 1 . . . . 9 LEU C . 7000 1 103 . 1 1 12 12 LEU CA C 13 52.9 0.2 . 1 . . . . 9 LEU CA . 7000 1 104 . 1 1 12 12 LEU CB C 13 45.4 0.2 . 1 . . . . 9 LEU CB . 7000 1 105 . 1 1 12 12 LEU CG C 13 25.4 0.2 . 1 . . . . 9 LEU CG . 7000 1 106 . 1 1 12 12 LEU CD1 C 13 27.3 0.2 . 1 . . . . 9 LEU CD1 . 7000 1 107 . 1 1 12 12 LEU CD2 C 13 27.3 0.2 . 1 . . . . 9 LEU CD2 . 7000 1 108 . 1 1 12 12 LEU N N 15 123.0 0.2 . 1 . . . . 9 LEU N . 7000 1 109 . 1 1 13 13 VAL H H 1 9.03 0.02 . 1 . . . . 10 VAL H . 7000 1 110 . 1 1 13 13 VAL HA H 1 4.67 0.02 . 1 . . . . 10 VAL HA . 7000 1 111 . 1 1 13 13 VAL HB H 1 1.29 0.02 . 1 . . . . 10 VAL HB . 7000 1 112 . 1 1 13 13 VAL HG11 H 1 0.26 0.02 . 1 . . . . 10 VAL HG1 . 7000 1 113 . 1 1 13 13 VAL HG12 H 1 0.26 0.02 . 1 . . . . 10 VAL HG1 . 7000 1 114 . 1 1 13 13 VAL HG13 H 1 0.26 0.02 . 1 . . . . 10 VAL HG1 . 7000 1 115 . 1 1 13 13 VAL HG21 H 1 0.21 0.02 . 1 . . . . 10 VAL HG2 . 7000 1 116 . 1 1 13 13 VAL HG22 H 1 0.21 0.02 . 1 . . . . 10 VAL HG2 . 7000 1 117 . 1 1 13 13 VAL HG23 H 1 0.21 0.02 . 1 . . . . 10 VAL HG2 . 7000 1 118 . 1 1 13 13 VAL C C 13 175.9 0.2 . 1 . . . . 10 VAL C . 7000 1 119 . 1 1 13 13 VAL CA C 13 61.0 0.2 . 1 . . . . 10 VAL CA . 7000 1 120 . 1 1 13 13 VAL CB C 13 33.5 0.2 . 1 . . . . 10 VAL CB . 7000 1 121 . 1 1 13 13 VAL CG1 C 13 20.5 0.2 . 1 . . . . 10 VAL CG1 . 7000 1 122 . 1 1 13 13 VAL CG2 C 13 20.8 0.2 . 1 . . . . 10 VAL CG2 . 7000 1 123 . 1 1 13 13 VAL N N 15 125.9 0.2 . 1 . . . . 10 VAL N . 7000 1 124 . 1 1 14 14 VAL H H 1 9.36 0.02 . 1 . . . . 11 VAL H . 7000 1 125 . 1 1 14 14 VAL HA H 1 4.36 0.02 . 1 . . . . 11 VAL HA . 7000 1 126 . 1 1 14 14 VAL HB H 1 1.90 0.02 . 1 . . . . 11 VAL HB . 7000 1 127 . 1 1 14 14 VAL HG11 H 1 0.99 0.02 . 2 . . . . 11 VAL HG1 . 7000 1 128 . 1 1 14 14 VAL HG12 H 1 0.99 0.02 . 2 . . . . 11 VAL HG1 . 7000 1 129 . 1 1 14 14 VAL HG13 H 1 0.99 0.02 . 2 . . . . 11 VAL HG1 . 7000 1 130 . 1 1 14 14 VAL HG21 H 1 0.99 0.02 . 2 . . . . 11 VAL HG2 . 7000 1 131 . 1 1 14 14 VAL HG22 H 1 0.99 0.02 . 2 . . . . 11 VAL HG2 . 7000 1 132 . 1 1 14 14 VAL HG23 H 1 0.99 0.02 . 2 . . . . 11 VAL HG2 . 7000 1 133 . 1 1 14 14 VAL C C 13 176.8 0.2 . 1 . . . . 11 VAL C . 7000 1 134 . 1 1 14 14 VAL CA C 13 61.6 0.2 . 1 . . . . 11 VAL CA . 7000 1 135 . 1 1 14 14 VAL CB C 13 32.9 0.2 . 1 . . . . 11 VAL CB . 7000 1 136 . 1 1 14 14 VAL CG1 C 13 22.0 0.2 . 1 . . . . 11 VAL CG1 . 7000 1 137 . 1 1 14 14 VAL CG2 C 13 22.0 0.2 . 1 . . . . 11 VAL CG2 . 7000 1 138 . 1 1 14 14 VAL N N 15 127.2 0.2 . 1 . . . . 11 VAL N . 7000 1 139 . 1 1 15 15 LYS H H 1 8.75 0.02 . 1 . . . . 12 LYS H . 7000 1 140 . 1 1 15 15 LYS N N 15 129.5 0.02 . 1 . . . . 12 LYS N . 7000 1 141 . 1 1 22 22 HIS HA H 1 5.15 0.02 . 1 . . . . 19 HIS HA . 7000 1 142 . 1 1 22 22 HIS HB2 H 1 3.19 0.02 . 2 . . . . 19 HIS HB2 . 7000 1 143 . 1 1 22 22 HIS HB3 H 1 2.84 0.02 . 2 . . . . 19 HIS HB3 . 7000 1 144 . 1 1 22 22 HIS C C 13 176.3 0.2 . 1 . . . . 19 HIS C . 7000 1 145 . 1 1 22 22 HIS CA C 13 54.8 0.2 . 1 . . . . 19 HIS CA . 7000 1 146 . 1 1 22 22 HIS CB C 13 32.3 0.2 . 1 . . . . 19 HIS CB . 7000 1 147 . 1 1 23 23 ASP H H 1 10.07 0.02 . 1 . . . . 20 ASP H . 7000 1 148 . 1 1 23 23 ASP HA H 1 4.80 0.02 . 1 . . . . 20 ASP HA . 7000 1 149 . 1 1 23 23 ASP HB2 H 1 2.59 0.02 . 1 . . . . 20 ASP HB2 . 7000 1 150 . 1 1 23 23 ASP HB3 H 1 2.59 0.02 . 1 . . . . 20 ASP HB3 . 7000 1 151 . 1 1 23 23 ASP C C 13 174.5 0.2 . 1 . . . . 20 ASP C . 7000 1 152 . 1 1 23 23 ASP CA C 13 55.4 0.2 . 1 . . . . 20 ASP CA . 7000 1 153 . 1 1 23 23 ASP CB C 13 41.6 0.2 . 1 . . . . 20 ASP CB . 7000 1 154 . 1 1 23 23 ASP N N 15 126.9 0.2 . 1 . . . . 20 ASP N . 7000 1 155 . 1 1 24 24 GLN H H 1 8.19 0.02 . 1 . . . . 21 GLN H . 7000 1 156 . 1 1 24 24 GLN HA H 1 4.89 0.02 . 1 . . . . 21 GLN HA . 7000 1 157 . 1 1 24 24 GLN HB2 H 1 2.59 0.02 . 2 . . . . 21 GLN HB2 . 7000 1 158 . 1 1 24 24 GLN HB3 H 1 2.10 0.02 . 2 . . . . 21 GLN HB3 . 7000 1 159 . 1 1 24 24 GLN HG2 H 1 1.40 0.02 . 2 . . . . 21 GLN HG2 . 7000 1 160 . 1 1 24 24 GLN HG3 H 1 1.40 0.02 . 2 . . . . 21 GLN HG3 . 7000 1 161 . 1 1 24 24 GLN C C 13 174.5 0.2 . 1 . . . . 21 GLN C . 7000 1 162 . 1 1 24 24 GLN CA C 13 54.1 0.2 . 1 . . . . 21 GLN CA . 7000 1 163 . 1 1 24 24 GLN CB C 13 31.0 0.2 . 1 . . . . 21 GLN CB . 7000 1 164 . 1 1 24 24 GLN N N 15 117.7 0.2 . 1 . . . . 21 GLN N . 7000 1 165 . 1 1 25 25 HIS H H 1 11.11 0.02 . 1 . . . . 22 HIS H . 7000 1 166 . 1 1 25 25 HIS HA H 1 5.86 0.02 . 1 . . . . 22 HIS HA . 7000 1 167 . 1 1 25 25 HIS HB2 H 1 3.22 0.02 . 2 . . . . 22 HIS HB2 . 7000 1 168 . 1 1 25 25 HIS HB3 H 1 3.07 0.02 . 2 . . . . 22 HIS HB3 . 7000 1 169 . 1 1 25 25 HIS C C 13 173.8 0.2 . 1 . . . . 22 HIS C . 7000 1 170 . 1 1 25 25 HIS CA C 13 54.9 0.2 . 1 . . . . 22 HIS CA . 7000 1 171 . 1 1 25 25 HIS CB C 13 37.3 0.2 . 1 . . . . 22 HIS CB . 7000 1 172 . 1 1 25 25 HIS N N 15 121.1 0.2 . 1 . . . . 22 HIS N . 7000 1 173 . 1 1 26 26 ALA H H 1 8.77 0.02 . 1 . . . . 23 ALA H . 7000 1 174 . 1 1 26 26 ALA HA H 1 4.59 0.02 . 1 . . . . 23 ALA HA . 7000 1 175 . 1 1 26 26 ALA HB1 H 1 -0.38 0.02 . 1 . . . . 23 ALA HB . 7000 1 176 . 1 1 26 26 ALA HB2 H 1 -0.38 0.02 . 1 . . . . 23 ALA HB . 7000 1 177 . 1 1 26 26 ALA HB3 H 1 -0.38 0.02 . 1 . . . . 23 ALA HB . 7000 1 178 . 1 1 26 26 ALA C C 13 175.6 0.2 . 1 . . . . 23 ALA C . 7000 1 179 . 1 1 26 26 ALA CA C 13 50.4 0.2 . 1 . . . . 23 ALA CA . 7000 1 180 . 1 1 26 26 ALA CB C 13 22.3 0.2 . 1 . . . . 23 ALA CB . 7000 1 181 . 1 1 26 26 ALA N N 15 119.6 0.2 . 1 . . . . 23 ALA N . 7000 1 182 . 1 1 27 27 GLU H H 1 8.38 0.02 . 1 . . . . 24 GLU H . 7000 1 183 . 1 1 27 27 GLU HA H 1 3.83 0.02 . 1 . . . . 24 GLU HA . 7000 1 184 . 1 1 27 27 GLU HB2 H 1 1.67 0.02 . 2 . . . . 24 GLU HB2 . 7000 1 185 . 1 1 27 27 GLU HB3 H 1 1.55 0.02 . 2 . . . . 24 GLU HB3 . 7000 1 186 . 1 1 27 27 GLU C C 13 175.9 0.2 . 1 . . . . 24 GLU C . 7000 1 187 . 1 1 27 27 GLU CA C 13 54.8 0.2 . 1 . . . . 24 GLU CA . 7000 1 188 . 1 1 27 27 GLU CB C 13 31.6 0.2 . 1 . . . . 24 GLU CB . 7000 1 189 . 1 1 27 27 GLU CG C 13 35.4 0.2 . 1 . . . . 24 GLU CG . 7000 1 190 . 1 1 27 27 GLU N N 15 122.8 0.2 . 1 . . . . 24 GLU N . 7000 1 191 . 1 1 28 28 ILE H H 1 9.01 0.02 . 1 . . . . 25 ILE H . 7000 1 192 . 1 1 28 28 ILE HA H 1 3.77 0.02 . 1 . . . . 25 ILE HA . 7000 1 193 . 1 1 28 28 ILE HB H 1 1.46 0.02 . 1 . . . . 25 ILE HB . 7000 1 194 . 1 1 28 28 ILE HG12 H 1 1.13 0.02 . 2 . . . . 25 ILE HG12 . 7000 1 195 . 1 1 28 28 ILE HG13 H 1 0.24 0.02 . 2 . . . . 25 ILE HG13 . 7000 1 196 . 1 1 28 28 ILE HG21 H 1 0.24 0.02 . 1 . . . . 25 ILE HG2 . 7000 1 197 . 1 1 28 28 ILE HG22 H 1 0.24 0.02 . 1 . . . . 25 ILE HG2 . 7000 1 198 . 1 1 28 28 ILE HG23 H 1 0.24 0.02 . 1 . . . . 25 ILE HG2 . 7000 1 199 . 1 1 28 28 ILE HD11 H 1 -0.04 0.02 . 1 . . . . 25 ILE HD1 . 7000 1 200 . 1 1 28 28 ILE HD12 H 1 -0.04 0.02 . 1 . . . . 25 ILE HD1 . 7000 1 201 . 1 1 28 28 ILE HD13 H 1 -0.04 0.02 . 1 . . . . 25 ILE HD1 . 7000 1 202 . 1 1 28 28 ILE C C 13 176.1 0.2 . 1 . . . . 25 ILE C . 7000 1 203 . 1 1 28 28 ILE CA C 13 63.5 0.2 . 1 . . . . 25 ILE CA . 7000 1 204 . 1 1 28 28 ILE CB C 13 36.6 0.2 . 1 . . . . 25 ILE CB . 7000 1 205 . 1 1 28 28 ILE CG1 C 13 28.5 0.2 . 1 . . . . 25 ILE CG1 . 7000 1 206 . 1 1 28 28 ILE CG2 C 13 17.7 0.2 . 1 . . . . 25 ILE CG2 . 7000 1 207 . 1 1 28 28 ILE CD1 C 13 13.9 0.2 . 1 . . . . 25 ILE CD1 . 7000 1 208 . 1 1 28 28 ILE N N 15 127.2 0.2 . 1 . . . . 25 ILE N . 7000 1 209 . 1 1 29 29 ILE H H 1 8.97 0.02 . 1 . . . . 26 ILE H . 7000 1 210 . 1 1 29 29 ILE HA H 1 4.46 0.02 . 1 . . . . 26 ILE HA . 7000 1 211 . 1 1 29 29 ILE HB H 1 1.90 0.02 . 1 . . . . 26 ILE HB . 7000 1 212 . 1 1 29 29 ILE HG21 H 1 0.78 0.02 . 1 . . . . 26 ILE HG2 . 7000 1 213 . 1 1 29 29 ILE HG22 H 1 0.78 0.02 . 1 . . . . 26 ILE HG2 . 7000 1 214 . 1 1 29 29 ILE HG23 H 1 0.78 0.02 . 1 . . . . 26 ILE HG2 . 7000 1 215 . 1 1 29 29 ILE HD11 H 1 0.68 0.02 . 1 . . . . 26 ILE HD1 . 7000 1 216 . 1 1 29 29 ILE HD12 H 1 0.68 0.02 . 1 . . . . 26 ILE HD1 . 7000 1 217 . 1 1 29 29 ILE HD13 H 1 0.68 0.02 . 1 . . . . 26 ILE HD1 . 7000 1 218 . 1 1 29 29 ILE C C 13 175.9 0.2 . 1 . . . . 26 ILE C . 7000 1 219 . 1 1 29 29 ILE CA C 13 61.6 0.2 . 1 . . . . 26 ILE CA . 7000 1 220 . 1 1 29 29 ILE CB C 13 39.1 0.2 . 1 . . . . 26 ILE CB . 7000 1 221 . 1 1 29 29 ILE CG1 C 13 26.6 0.2 . 1 . . . . 26 ILE CG1 . 7000 1 222 . 1 1 29 29 ILE CG2 C 13 17.7 0.2 . 1 . . . . 26 ILE CG2 . 7000 1 223 . 1 1 29 29 ILE CD1 C 13 13.6 0.2 . 1 . . . . 26 ILE CD1 . 7000 1 224 . 1 1 29 29 ILE N N 15 125.1 0.2 . 1 . . . . 26 ILE N . 7000 1 225 . 1 1 30 30 GLU H H 1 7.74 0.02 . 1 . . . . 27 GLU H . 7000 1 226 . 1 1 30 30 GLU HA H 1 4.33 0.02 . 1 . . . . 27 GLU HA . 7000 1 227 . 1 1 30 30 GLU HB2 H 1 1.88 0.02 . 1 . . . . 27 GLU HB2 . 7000 1 228 . 1 1 30 30 GLU HB3 H 1 1.88 0.02 . 1 . . . . 27 GLU HB3 . 7000 1 229 . 1 1 30 30 GLU HG2 H 1 2.18 0.02 . 2 . . . . 27 GLU HG2 . 7000 1 230 . 1 1 30 30 GLU HG3 H 1 2.00 0.02 . 2 . . . . 27 GLU HG3 . 7000 1 231 . 1 1 30 30 GLU C C 13 174.2 0.2 . 1 . . . . 27 GLU C . 7000 1 232 . 1 1 30 30 GLU CA C 13 57.3 0.2 . 1 . . . . 27 GLU CA . 7000 1 233 . 1 1 30 30 GLU CB C 13 33.3 0.2 . 1 . . . . 27 GLU CB . 7000 1 234 . 1 1 30 30 GLU CG C 13 36.6 0.2 . 1 . . . . 27 GLU CG . 7000 1 235 . 1 1 30 30 GLU N N 15 121.1 0.2 . 1 . . . . 27 GLU N . 7000 1 236 . 1 1 31 31 VAL H H 1 8.70 0.02 . 1 . . . . 28 VAL H . 7000 1 237 . 1 1 31 31 VAL HA H 1 4.34 0.02 . 1 . . . . 28 VAL HA . 7000 1 238 . 1 1 31 31 VAL HB H 1 2.05 0.02 . 1 . . . . 28 VAL HB . 7000 1 239 . 1 1 31 31 VAL HG11 H 1 1.06 0.02 . 1 . . . . 28 VAL HG1 . 7000 1 240 . 1 1 31 31 VAL HG12 H 1 1.06 0.02 . 1 . . . . 28 VAL HG1 . 7000 1 241 . 1 1 31 31 VAL HG13 H 1 1.06 0.02 . 1 . . . . 28 VAL HG1 . 7000 1 242 . 1 1 31 31 VAL HG21 H 1 0.56 0.02 . 1 . . . . 28 VAL HG2 . 7000 1 243 . 1 1 31 31 VAL HG22 H 1 0.56 0.02 . 1 . . . . 28 VAL HG2 . 7000 1 244 . 1 1 31 31 VAL HG23 H 1 0.56 0.02 . 1 . . . . 28 VAL HG2 . 7000 1 245 . 1 1 31 31 VAL C C 13 175.4 0.2 . 1 . . . . 28 VAL C . 7000 1 246 . 1 1 31 31 VAL CA C 13 62.3 0.2 . 1 . . . . 28 VAL CA . 7000 1 247 . 1 1 31 31 VAL CB C 13 33.5 0.2 . 1 . . . . 28 VAL CB . 7000 1 248 . 1 1 31 31 VAL CG1 C 13 21.7 0.2 . 1 . . . . 28 VAL CG1 . 7000 1 249 . 1 1 31 31 VAL CG2 C 13 21.0 0.2 . 1 . . . . 28 VAL CG2 . 7000 1 250 . 1 1 31 31 VAL N N 15 126.4 0.2 . 1 . . . . 28 VAL N . 7000 1 251 . 1 1 32 32 ARG H H 1 8.59 0.02 . 1 . . . . 29 ARG H . 7000 1 252 . 1 1 32 32 ARG HA H 1 4.42 0.02 . 1 . . . . 29 ARG HA . 7000 1 253 . 1 1 32 32 ARG HB2 H 1 1.87 0.02 . 2 . . . . 29 ARG HB2 . 7000 1 254 . 1 1 32 32 ARG HB3 H 1 1.67 0.02 . 2 . . . . 29 ARG HB3 . 7000 1 255 . 1 1 32 32 ARG HG2 H 1 1.49 0.02 . 1 . . . . 29 ARG HG2 . 7000 1 256 . 1 1 32 32 ARG HG3 H 1 1.49 0.02 . 1 . . . . 29 ARG HG3 . 7000 1 257 . 1 1 32 32 ARG HD2 H 1 3.04 0.02 . 1 . . . . 29 ARG HD2 . 7000 1 258 . 1 1 32 32 ARG HD3 H 1 3.04 0.02 . 1 . . . . 29 ARG HD3 . 7000 1 259 . 1 1 32 32 ARG C C 13 176.1 0.2 . 1 . . . . 29 ARG C . 7000 1 260 . 1 1 32 32 ARG CA C 13 57.3 0.2 . 1 . . . . 29 ARG CA . 7000 1 261 . 1 1 32 32 ARG CB C 13 29.8 0.2 . 1 . . . . 29 ARG CB . 7000 1 262 . 1 1 32 32 ARG CG C 13 27.3 0.2 . 1 . . . . 29 ARG CG . 7000 1 263 . 1 1 32 32 ARG CD C 13 43.5 0.2 . 1 . . . . 29 ARG CD . 7000 1 264 . 1 1 32 32 ARG N N 15 126.5 0.2 . 1 . . . . 29 ARG N . 7000 1 265 . 1 1 33 33 SER H H 1 7.80 0.02 . 1 . . . . 30 SER H . 7000 1 266 . 1 1 33 33 SER HA H 1 4.48 0.02 . 1 . . . . 30 SER HA . 7000 1 267 . 1 1 33 33 SER HB2 H 1 3.95 0.02 . 2 . . . . 30 SER HB2 . 7000 1 268 . 1 1 33 33 SER HB3 H 1 3.80 0.02 . 2 . . . . 30 SER HB3 . 7000 1 269 . 1 1 33 33 SER C C 13 173.5 0.2 . 1 . . . . 30 SER C . 7000 1 270 . 1 1 33 33 SER CA C 13 59.6 0.2 . 1 . . . . 30 SER CA . 7000 1 271 . 1 1 33 33 SER CB C 13 64.8 0.2 . 1 . . . . 30 SER CB . 7000 1 272 . 1 1 33 33 SER N N 15 114.2 0.2 . 1 . . . . 30 SER N . 7000 1 273 . 1 1 34 34 ALA H H 1 7.85 0.02 . 1 . . . . 31 ALA H . 7000 1 274 . 1 1 34 34 ALA HA H 1 4.36 0.02 . 1 . . . . 31 ALA HA . 7000 1 275 . 1 1 34 34 ALA HB1 H 1 1.47 0.02 . 1 . . . . 31 ALA HB . 7000 1 276 . 1 1 34 34 ALA HB2 H 1 1.47 0.02 . 1 . . . . 31 ALA HB . 7000 1 277 . 1 1 34 34 ALA HB3 H 1 1.47 0.02 . 1 . . . . 31 ALA HB . 7000 1 278 . 1 1 34 34 ALA C C 13 178.2 0.2 . 1 . . . . 31 ALA C . 7000 1 279 . 1 1 34 34 ALA CA C 13 54.1 0.2 . 1 . . . . 31 ALA CA . 7000 1 280 . 1 1 34 34 ALA CB C 13 19.2 0.2 . 1 . . . . 31 ALA CB . 7000 1 281 . 1 1 34 34 ALA N N 15 121.4 0.2 . 1 . . . . 31 ALA N . 7000 1 282 . 1 1 35 35 ASP H H 1 8.00 0.02 . 1 . . . . 32 ASP H . 7000 1 283 . 1 1 35 35 ASP HA H 1 4.72 0.02 . 1 . . . . 32 ASP HA . 7000 1 284 . 1 1 35 35 ASP HB2 H 1 3.09 0.02 . 2 . . . . 32 ASP HB2 . 7000 1 285 . 1 1 35 35 ASP HB3 H 1 2.56 0.02 . 2 . . . . 32 ASP HB3 . 7000 1 286 . 1 1 35 35 ASP C C 13 177.5 0.2 . 1 . . . . 32 ASP C . 7000 1 287 . 1 1 35 35 ASP CA C 13 52.9 0.2 . 1 . . . . 32 ASP CA . 7000 1 288 . 1 1 35 35 ASP CB C 13 41.0 0.2 . 1 . . . . 32 ASP CB . 7000 1 289 . 1 1 35 35 ASP N N 15 114.9 0.2 . 1 . . . . 32 ASP N . 7000 1 290 . 1 1 36 36 GLY H H 1 7.88 0.02 . 1 . . . . 33 GLY H . 7000 1 291 . 1 1 36 36 GLY HA2 H 1 4.34 0.02 . 2 . . . . 33 GLY HA2 . 7000 1 292 . 1 1 36 36 GLY HA3 H 1 3.88 0.02 . 2 . . . . 33 GLY HA3 . 7000 1 293 . 1 1 36 36 GLY C C 13 174.2 0.2 . 1 . . . . 33 GLY C . 7000 1 294 . 1 1 36 36 GLY CA C 13 46.0 0.2 . 1 . . . . 33 GLY CA . 7000 1 295 . 1 1 36 36 GLY N N 15 107.3 0.2 . 1 . . . . 33 GLY N . 7000 1 296 . 1 1 37 37 SER H H 1 8.06 0.02 . 1 . . . . 34 SER H . 7000 1 297 . 1 1 37 37 SER HA H 1 4.85 0.02 . 1 . . . . 34 SER HA . 7000 1 298 . 1 1 37 37 SER HB2 H 1 3.93 0.02 . 1 . . . . 34 SER HB2 . 7000 1 299 . 1 1 37 37 SER HB3 H 1 3.93 0.02 . 1 . . . . 34 SER HB3 . 7000 1 300 . 1 1 37 37 SER CA C 13 58.5 0.2 . 1 . . . . 34 SER CA . 7000 1 301 . 1 1 37 37 SER CB C 13 61.4 0.2 . 1 . . . . 34 SER CB . 7000 1 302 . 1 1 37 37 SER N N 15 120.5 0.2 . 1 . . . . 34 SER N . 7000 1 303 . 1 1 38 38 PRO HA H 1 3.00 0.02 . 1 . . . . 35 PRO HA . 7000 1 304 . 1 1 38 38 PRO HB2 H 1 1.32 0.02 . 2 . . . . 35 PRO HB2 . 7000 1 305 . 1 1 38 38 PRO HB3 H 1 0.98 0.02 . 2 . . . . 35 PRO HB3 . 7000 1 306 . 1 1 38 38 PRO HG2 H 1 1.74 0.02 . 2 . . . . 35 PRO HG2 . 7000 1 307 . 1 1 38 38 PRO HG3 H 1 1.49 0.02 . 2 . . . . 35 PRO HG3 . 7000 1 308 . 1 1 38 38 PRO HD2 H 1 3.76 0.02 . 2 . . . . 35 PRO HD2 . 7000 1 309 . 1 1 38 38 PRO HD3 H 1 3.27 0.02 . 2 . . . . 35 PRO HD3 . 7000 1 310 . 1 1 38 38 PRO CA C 13 61.4 0.2 . 1 . . . . 35 PRO CA . 7000 1 311 . 1 1 38 38 PRO CB C 13 30.1 0.2 . 1 . . . . 35 PRO CB . 7000 1 312 . 1 1 38 38 PRO CG C 13 27.5 0.2 . 1 . . . . 35 PRO CG . 7000 1 313 . 1 1 38 38 PRO CD C 13 50.1 0.2 . 1 . . . . 35 PRO CD . 7000 1 314 . 1 1 39 39 PRO HA H 1 4.00 0.02 . 1 . . . . 36 PRO HA . 7000 1 315 . 1 1 39 39 PRO HB2 H 1 1.39 0.02 . 1 . . . . 36 PRO HB2 . 7000 1 316 . 1 1 39 39 PRO HB3 H 1 1.39 0.02 . 1 . . . . 36 PRO HB3 . 7000 1 317 . 1 1 39 39 PRO HG2 H 1 1.70 0.02 . 1 . . . . 36 PRO HG2 . 7000 1 318 . 1 1 39 39 PRO HG3 H 1 1.70 0.02 . 1 . . . . 36 PRO HG3 . 7000 1 319 . 1 1 39 39 PRO HD2 H 1 3.42 0.02 . 1 . . . . 36 PRO HD2 . 7000 1 320 . 1 1 39 39 PRO HD3 H 1 3.42 0.02 . 1 . . . . 36 PRO HD3 . 7000 1 321 . 1 1 39 39 PRO C C 13 174.7 0.2 . 1 . . . . 36 PRO C . 7000 1 322 . 1 1 39 39 PRO CA C 13 61.6 0.2 . 1 . . . . 36 PRO CA . 7000 1 323 . 1 1 39 39 PRO CB C 13 36.0 0.2 . 1 . . . . 36 PRO CB . 7000 1 324 . 1 1 39 39 PRO CG C 13 24.1 0.2 . 1 . . . . 36 PRO CG . 7000 1 325 . 1 1 39 39 PRO CD C 13 50.4 0.2 . 1 . . . . 36 PRO CD . 7000 1 326 . 1 1 40 40 TYR H H 1 8.06 0.02 . 1 . . . . 37 TYR H . 7000 1 327 . 1 1 40 40 TYR HA H 1 5.43 0.02 . 1 . . . . 37 TYR HA . 7000 1 328 . 1 1 40 40 TYR HB2 H 1 3.01 0.02 . 2 . . . . 37 TYR HB2 . 7000 1 329 . 1 1 40 40 TYR HB3 H 1 2.26 0.02 . 2 . . . . 37 TYR HB3 . 7000 1 330 . 1 1 40 40 TYR HD1 H 1 6.62 0.02 . 1 . . . . 37 TYR HD1 . 7000 1 331 . 1 1 40 40 TYR HD2 H 1 6.62 0.02 . 1 . . . . 37 TYR HD2 . 7000 1 332 . 1 1 40 40 TYR HE1 H 1 6.38 0.02 . 1 . . . . 37 TYR HE1 . 7000 1 333 . 1 1 40 40 TYR HE2 H 1 6.38 0.02 . 1 . . . . 37 TYR HE2 . 7000 1 334 . 1 1 40 40 TYR C C 13 175.2 0.2 . 1 . . . . 37 TYR C . 7000 1 335 . 1 1 40 40 TYR CA C 13 53.2 0.2 . 1 . . . . 37 TYR CA . 7000 1 336 . 1 1 40 40 TYR CB C 13 41.6 0.2 . 1 . . . . 37 TYR CB . 7000 1 337 . 1 1 40 40 TYR CD1 C 13 131.0 0.2 . 1 . . . . 37 TYR CD1 . 7000 1 338 . 1 1 40 40 TYR CD2 C 13 131.0 0.2 . 1 . . . . 37 TYR CD2 . 7000 1 339 . 1 1 40 40 TYR CE1 C 13 118.2 0.2 . 1 . . . . 37 TYR CE1 . 7000 1 340 . 1 1 40 40 TYR CE2 C 13 118.2 0.2 . 1 . . . . 37 TYR CE2 . 7000 1 341 . 1 1 40 40 TYR N N 15 118.0 0.2 . 1 . . . . 37 TYR N . 7000 1 342 . 1 1 41 41 VAL H H 1 8.48 0.02 . 1 . . . . 38 VAL H . 7000 1 343 . 1 1 41 41 VAL HA H 1 4.82 0.02 . 1 . . . . 38 VAL HA . 7000 1 344 . 1 1 41 41 VAL HB H 1 1.77 0.02 . 1 . . . . 38 VAL HB . 7000 1 345 . 1 1 41 41 VAL HG11 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 7000 1 346 . 1 1 41 41 VAL HG12 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 7000 1 347 . 1 1 41 41 VAL HG13 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 7000 1 348 . 1 1 41 41 VAL HG21 H 1 0.76 0.02 . 2 . . . . 38 VAL HG2 . 7000 1 349 . 1 1 41 41 VAL HG22 H 1 0.76 0.02 . 2 . . . . 38 VAL HG2 . 7000 1 350 . 1 1 41 41 VAL HG23 H 1 0.76 0.02 . 2 . . . . 38 VAL HG2 . 7000 1 351 . 1 1 41 41 VAL C C 13 176.1 0.2 . 1 . . . . 38 VAL C . 7000 1 352 . 1 1 41 41 VAL CA C 13 62.3 0.2 . 1 . . . . 38 VAL CA . 7000 1 353 . 1 1 41 41 VAL CB C 13 31.6 0.2 . 1 . . . . 38 VAL CB . 7000 1 354 . 1 1 41 41 VAL CG1 C 13 21.0 0.2 . 1 . . . . 38 VAL CG1 . 7000 1 355 . 1 1 41 41 VAL CG2 C 13 21.0 0.2 . 1 . . . . 38 VAL CG2 . 7000 1 356 . 1 1 41 41 VAL N N 15 123.2 0.2 . 1 . . . . 38 VAL N . 7000 1 357 . 1 1 42 42 VAL H H 1 9.11 0.02 . 1 . . . . 39 VAL H . 7000 1 358 . 1 1 42 42 VAL HA H 1 5.18 0.02 . 1 . . . . 39 VAL HA . 7000 1 359 . 1 1 42 42 VAL HB H 1 1.22 0.02 . 1 . . . . 39 VAL HB . 7000 1 360 . 1 1 42 42 VAL HG11 H 1 0.43 0.02 . 2 . . . . 39 VAL HG1 . 7000 1 361 . 1 1 42 42 VAL HG12 H 1 0.43 0.02 . 2 . . . . 39 VAL HG1 . 7000 1 362 . 1 1 42 42 VAL HG13 H 1 0.43 0.02 . 2 . . . . 39 VAL HG1 . 7000 1 363 . 1 1 42 42 VAL HG21 H 1 0.00 0.02 . 2 . . . . 39 VAL HG2 . 7000 1 364 . 1 1 42 42 VAL HG22 H 1 0.00 0.02 . 2 . . . . 39 VAL HG2 . 7000 1 365 . 1 1 42 42 VAL HG23 H 1 0.00 0.02 . 2 . . . . 39 VAL HG2 . 7000 1 366 . 1 1 42 42 VAL C C 13 172.4 0.2 . 1 . . . . 39 VAL C . 7000 1 367 . 1 1 42 42 VAL CA C 13 57.4 0.2 . 1 . . . . 39 VAL CA . 7000 1 368 . 1 1 42 42 VAL CB C 13 33.5 0.2 . 1 . . . . 39 VAL CB . 7000 1 369 . 1 1 42 42 VAL CG1 C 13 22.0 0.2 . 2 . . . . 39 VAL CG1 . 7000 1 370 . 1 1 42 42 VAL CG2 C 13 17.8 0.2 . 2 . . . . 39 VAL CG2 . 7000 1 371 . 1 1 42 42 VAL N N 15 121.3 0.2 . 1 . . . . 39 VAL N . 7000 1 372 . 1 1 43 43 ARG H H 1 8.93 0.02 . 1 . . . . 40 ARG H . 7000 1 373 . 1 1 43 43 ARG HA H 1 4.85 0.02 . 1 . . . . 40 ARG HA . 7000 1 374 . 1 1 43 43 ARG HB2 H 1 1.67 0.02 . 2 . . . . 40 ARG HB2 . 7000 1 375 . 1 1 43 43 ARG HB3 H 1 1.34 0.02 . 2 . . . . 40 ARG HB3 . 7000 1 376 . 1 1 43 43 ARG HG2 H 1 1.24 0.02 . 1 . . . . 40 ARG HG2 . 7000 1 377 . 1 1 43 43 ARG HG3 H 1 1.24 0.02 . 1 . . . . 40 ARG HG3 . 7000 1 378 . 1 1 43 43 ARG HD2 H 1 3.22 0.02 . 1 . . . . 40 ARG HD2 . 7000 1 379 . 1 1 43 43 ARG HD3 H 1 3.22 0.02 . 1 . . . . 40 ARG HD3 . 7000 1 380 . 1 1 43 43 ARG HH11 H 1 6.91 0.02 . 1 . . . . 40 ARG HH11 . 7000 1 381 . 1 1 43 43 ARG HH12 H 1 6.91 0.02 . 1 . . . . 40 ARG HH12 . 7000 1 382 . 1 1 43 43 ARG HH21 H 1 6.54 0.02 . 1 . . . . 40 ARG HH21 . 7000 1 383 . 1 1 43 43 ARG HH22 H 1 6.54 0.02 . 1 . . . . 40 ARG HH22 . 7000 1 384 . 1 1 43 43 ARG C C 13 175.4 0.2 . 1 . . . . 40 ARG C . 7000 1 385 . 1 1 43 43 ARG CA C 13 53.8 0.2 . 1 . . . . 40 ARG CA . 7000 1 386 . 1 1 43 43 ARG CB C 13 32.9 0.2 . 1 . . . . 40 ARG CB . 7000 1 387 . 1 1 43 43 ARG CG C 13 27.3 0.2 . 1 . . . . 40 ARG CG . 7000 1 388 . 1 1 43 43 ARG CD C 13 42.9 0.2 . 1 . . . . 40 ARG CD . 7000 1 389 . 1 1 43 43 ARG N N 15 121.3 0.2 . 1 . . . . 40 ARG N . 7000 1 390 . 1 1 43 43 ARG NE N 15 87.1 0.2 . 1 . . . . 40 ARG NE . 7000 1 391 . 1 1 43 43 ARG NH1 N 15 99.0 0.2 . 1 . . . . 40 ARG NH1 . 7000 1 392 . 1 1 43 43 ARG NH2 N 15 99.0 0.2 . 1 . . . . 40 ARG NH2 . 7000 1 393 . 1 1 44 44 TRP H H 1 8.37 0.02 . 1 . . . . 41 TRP H . 7000 1 394 . 1 1 44 44 TRP HA H 1 4.04 0.02 . 1 . . . . 41 TRP HA . 7000 1 395 . 1 1 44 44 TRP HB2 H 1 3.95 0.02 . 2 . . . . 41 TRP HB2 . 7000 1 396 . 1 1 44 44 TRP HB3 H 1 2.87 0.02 . 2 . . . . 41 TRP HB3 . 7000 1 397 . 1 1 44 44 TRP HD1 H 1 6.18 0.02 . 1 . . . . 41 TRP HD1 . 7000 1 398 . 1 1 44 44 TRP HE1 H 1 10.07 0.02 . 1 . . . . 41 TRP HE1 . 7000 1 399 . 1 1 44 44 TRP HE3 H 1 7.74 0.02 . 1 . . . . 41 TRP HE3 . 7000 1 400 . 1 1 44 44 TRP HZ2 H 1 6.75 0.02 . 1 . . . . 41 TRP HZ2 . 7000 1 401 . 1 1 44 44 TRP HZ3 H 1 6.52 0.02 . 1 . . . . 41 TRP HZ3 . 7000 1 402 . 1 1 44 44 TRP HH2 H 1 6.62 0.02 . 1 . . . . 41 TRP HH2 . 7000 1 403 . 1 1 44 44 TRP C C 13 178.5 0.2 . 1 . . . . 41 TRP C . 7000 1 404 . 1 1 44 44 TRP CA C 13 59.1 0.2 . 1 . . . . 41 TRP CA . 7000 1 405 . 1 1 44 44 TRP CB C 13 27.9 0.2 . 1 . . . . 41 TRP CB . 7000 1 406 . 1 1 44 44 TRP CE3 C 13 122.2 0.2 . 1 . . . . 41 TRP CE3 . 7000 1 407 . 1 1 44 44 TRP CZ2 C 13 112.9 0.2 . 1 . . . . 41 TRP CZ2 . 7000 1 408 . 1 1 44 44 TRP CZ3 C 13 119.6 0.2 . 1 . . . . 41 TRP CZ3 . 7000 1 409 . 1 1 44 44 TRP CH2 C 13 122.6 0.2 . 1 . . . . 41 TRP CH2 . 7000 1 410 . 1 1 44 44 TRP N N 15 132.5 0.2 . 1 . . . . 41 TRP N . 7000 1 411 . 1 1 44 44 TRP NE1 N 15 131.2 0.2 . 1 . . . . 41 TRP NE1 . 7000 1 412 . 1 1 45 45 LEU H H 1 8.36 0.02 . 1 . . . . 42 LEU H . 7000 1 413 . 1 1 45 45 LEU HA H 1 4.14 0.02 . 1 . . . . 42 LEU HA . 7000 1 414 . 1 1 45 45 LEU HB2 H 1 1.85 0.02 . 2 . . . . 42 LEU HB2 . 7000 1 415 . 1 1 45 45 LEU HB3 H 1 1.52 0.02 . 2 . . . . 42 LEU HB3 . 7000 1 416 . 1 1 45 45 LEU HG H 1 1.80 0.02 . 1 . . . . 42 LEU HG . 7000 1 417 . 1 1 45 45 LEU HD11 H 1 0.98 0.02 . 1 . . . . 42 LEU HD1 . 7000 1 418 . 1 1 45 45 LEU HD12 H 1 0.98 0.02 . 1 . . . . 42 LEU HD1 . 7000 1 419 . 1 1 45 45 LEU HD13 H 1 0.98 0.02 . 1 . . . . 42 LEU HD1 . 7000 1 420 . 1 1 45 45 LEU HD21 H 1 0.72 0.02 . 1 . . . . 42 LEU HD2 . 7000 1 421 . 1 1 45 45 LEU HD22 H 1 0.72 0.02 . 1 . . . . 42 LEU HD2 . 7000 1 422 . 1 1 45 45 LEU HD23 H 1 0.72 0.02 . 1 . . . . 42 LEU HD2 . 7000 1 423 . 1 1 45 45 LEU C C 13 178.7 0.2 . 1 . . . . 42 LEU C . 7000 1 424 . 1 1 45 45 LEU CA C 13 59.1 0.2 . 1 . . . . 42 LEU CA . 7000 1 425 . 1 1 45 45 LEU CB C 13 42.3 0.2 . 1 . . . . 42 LEU CB . 7000 1 426 . 1 1 45 45 LEU CG C 13 28.5 0.2 . 1 . . . . 42 LEU CG . 7000 1 427 . 1 1 45 45 LEU CD1 C 13 23.3 0.2 . 1 . . . . 42 LEU CD1 . 7000 1 428 . 1 1 45 45 LEU CD2 C 13 25.3 0.2 . 1 . . . . 42 LEU CD2 . 7000 1 429 . 1 1 45 45 LEU N N 15 124.0 0.2 . 1 . . . . 42 LEU N . 7000 1 430 . 1 1 46 46 VAL H H 1 11.54 0.02 . 1 . . . . 43 VAL H . 7000 1 431 . 1 1 46 46 VAL HA H 1 3.81 0.02 . 1 . . . . 43 VAL HA . 7000 1 432 . 1 1 46 46 VAL HB H 1 2.05 0.02 . 1 . . . . 43 VAL HB . 7000 1 433 . 1 1 46 46 VAL HG11 H 1 0.53 0.02 . 1 . . . . 43 VAL HG1 . 7000 1 434 . 1 1 46 46 VAL HG12 H 1 0.53 0.02 . 1 . . . . 43 VAL HG1 . 7000 1 435 . 1 1 46 46 VAL HG13 H 1 0.53 0.02 . 1 . . . . 43 VAL HG1 . 7000 1 436 . 1 1 46 46 VAL HG21 H 1 0.49 0.02 . 1 . . . . 43 VAL HG2 . 7000 1 437 . 1 1 46 46 VAL HG22 H 1 0.49 0.02 . 1 . . . . 43 VAL HG2 . 7000 1 438 . 1 1 46 46 VAL HG23 H 1 0.49 0.02 . 1 . . . . 43 VAL HG2 . 7000 1 439 . 1 1 46 46 VAL C C 13 178.7 0.2 . 1 . . . . 43 VAL C . 7000 1 440 . 1 1 46 46 VAL CA C 13 66.6 0.2 . 1 . . . . 43 VAL CA . 7000 1 441 . 1 1 46 46 VAL CB C 13 30.4 0.2 . 1 . . . . 43 VAL CB . 7000 1 442 . 1 1 46 46 VAL CG1 C 13 22.8 0.2 . 1 . . . . 43 VAL CG1 . 7000 1 443 . 1 1 46 46 VAL CG2 C 13 19.7 0.2 . 1 . . . . 43 VAL CG2 . 7000 1 444 . 1 1 46 46 VAL N N 15 124.2 0.2 . 1 . . . . 43 VAL N . 7000 1 445 . 1 1 47 47 ASN H H 1 10.96 0.02 . 1 . . . . 44 ASN H . 7000 1 446 . 1 1 47 47 ASN HA H 1 4.42 0.02 . 1 . . . . 44 ASN HA . 7000 1 447 . 1 1 47 47 ASN HB2 H 1 3.42 0.02 . 2 . . . . 44 ASN HB2 . 7000 1 448 . 1 1 47 47 ASN HB3 H 1 2.41 0.02 . 2 . . . . 44 ASN HB3 . 7000 1 449 . 1 1 47 47 ASN HD21 H 1 9.66 0.02 . 2 . . . . 44 ASN HD21 . 7000 1 450 . 1 1 47 47 ASN HD22 H 1 7.55 0.02 . 2 . . . . 44 ASN HD22 . 7000 1 451 . 1 1 47 47 ASN C C 13 178.5 0.2 . 1 . . . . 44 ASN C . 7000 1 452 . 1 1 47 47 ASN CA C 13 56.0 0.2 . 1 . . . . 44 ASN CA . 7000 1 453 . 1 1 47 47 ASN CB C 13 42.3 0.2 . 1 . . . . 44 ASN CB . 7000 1 454 . 1 1 47 47 ASN N N 15 118.8 0.2 . 1 . . . . 44 ASN N . 7000 1 455 . 1 1 47 47 ASN ND2 N 15 119.9 0.2 . 1 . . . . 44 ASN ND2 . 7000 1 456 . 1 1 48 48 GLY H H 1 7.84 0.02 . 1 . . . . 45 GLY H . 7000 1 457 . 1 1 48 48 GLY HA2 H 1 4.14 0.02 . 1 . . . . 45 GLY HA2 . 7000 1 458 . 1 1 48 48 GLY HA3 H 1 4.14 0.02 . 1 . . . . 45 GLY HA3 . 7000 1 459 . 1 1 48 48 GLY C C 13 173.5 0.2 . 1 . . . . 45 GLY C . 7000 1 460 . 1 1 48 48 GLY CA C 13 44.8 0.2 . 1 . . . . 45 GLY CA . 7000 1 461 . 1 1 48 48 GLY N N 15 106.4 0.2 . 1 . . . . 45 GLY N . 7000 1 462 . 1 1 49 49 HIS H H 1 8.71 0.02 . 1 . . . . 46 HIS H . 7000 1 463 . 1 1 49 49 HIS HA H 1 4.92 0.02 . 1 . . . . 46 HIS HA . 7000 1 464 . 1 1 49 49 HIS HB2 H 1 3.24 0.02 . 2 . . . . 46 HIS HB2 . 7000 1 465 . 1 1 49 49 HIS HB3 H 1 2.98 0.02 . 2 . . . . 46 HIS HB3 . 7000 1 466 . 1 1 49 49 HIS C C 13 173.5 0.2 . 1 . . . . 46 HIS C . 7000 1 467 . 1 1 49 49 HIS CA C 13 55.4 0.2 . 1 . . . . 46 HIS CA . 7000 1 468 . 1 1 49 49 HIS CB C 13 31.6 0.2 . 1 . . . . 46 HIS CB . 7000 1 469 . 1 1 49 49 HIS N N 15 119.8 0.2 . 1 . . . . 46 HIS N . 7000 1 470 . 1 1 50 50 GLU H H 1 8.26 0.02 . 1 . . . . 47 GLU H . 7000 1 471 . 1 1 50 50 GLU HA H 1 5.96 0.02 . 1 . . . . 47 GLU HA . 7000 1 472 . 1 1 50 50 GLU HB2 H 1 1.80 0.02 . 2 . . . . 47 GLU HB2 . 7000 1 473 . 1 1 50 50 GLU HB3 H 1 1.75 0.02 . 2 . . . . 47 GLU HB3 . 7000 1 474 . 1 1 50 50 GLU HG2 H 1 2.23 0.02 . 2 . . . . 47 GLU HG2 . 7000 1 475 . 1 1 50 50 GLU HG3 H 1 1.98 0.02 . 2 . . . . 47 GLU HG3 . 7000 1 476 . 1 1 50 50 GLU C C 13 178.5 0.2 . 1 . . . . 47 GLU C . 7000 1 477 . 1 1 50 50 GLU CA C 13 54.1 0.2 . 1 . . . . 47 GLU CA . 7000 1 478 . 1 1 50 50 GLU CB C 13 31.6 0.2 . 1 . . . . 47 GLU CB . 7000 1 479 . 1 1 50 50 GLU CG C 13 36.0 0.2 . 1 . . . . 47 GLU CG . 7000 1 480 . 1 1 50 50 GLU N N 15 118.5 0.2 . 1 . . . . 47 GLU N . 7000 1 481 . 1 1 51 51 THR H H 1 8.58 0.02 . 1 . . . . 48 THR H . 7000 1 482 . 1 1 51 51 THR HA H 1 4.82 0.02 . 1 . . . . 48 THR HA . 7000 1 483 . 1 1 51 51 THR HB H 1 4.40 0.02 . 1 . . . . 48 THR HB . 7000 1 484 . 1 1 51 51 THR HG21 H 1 1.14 0.02 . 1 . . . . 48 THR HG2 . 7000 1 485 . 1 1 51 51 THR HG22 H 1 1.14 0.02 . 1 . . . . 48 THR HG2 . 7000 1 486 . 1 1 51 51 THR HG23 H 1 1.14 0.02 . 1 . . . . 48 THR HG2 . 7000 1 487 . 1 1 51 51 THR C C 13 172.6 0.2 . 1 . . . . 48 THR C . 7000 1 488 . 1 1 51 51 THR CA C 13 59.8 0.2 . 1 . . . . 48 THR CA . 7000 1 489 . 1 1 51 51 THR CB C 13 72.3 0.2 . 1 . . . . 48 THR CB . 7000 1 490 . 1 1 51 51 THR CG2 C 13 22.9 0.2 . 1 . . . . 48 THR CG2 . 7000 1 491 . 1 1 51 51 THR N N 15 112.5 0.2 . 1 . . . . 48 THR N . 7000 1 492 . 1 1 52 52 THR H H 1 8.44 0.02 . 1 . . . . 49 THR H . 7000 1 493 . 1 1 52 52 THR HA H 1 5.18 0.02 . 1 . . . . 49 THR HA . 7000 1 494 . 1 1 52 52 THR HB H 1 3.96 0.02 . 1 . . . . 49 THR HB . 7000 1 495 . 1 1 52 52 THR HG21 H 1 0.91 0.02 . 1 . . . . 49 THR HG2 . 7000 1 496 . 1 1 52 52 THR HG22 H 1 0.91 0.02 . 1 . . . . 49 THR HG2 . 7000 1 497 . 1 1 52 52 THR HG23 H 1 0.91 0.02 . 1 . . . . 49 THR HG2 . 7000 1 498 . 1 1 52 52 THR C C 13 175.2 0.2 . 1 . . . . 49 THR C . 7000 1 499 . 1 1 52 52 THR CA C 13 62.2 0.2 . 1 . . . . 49 THR CA . 7000 1 500 . 1 1 52 52 THR CB C 13 69.1 0.2 . 1 . . . . 49 THR CB . 7000 1 501 . 1 1 52 52 THR CG2 C 13 21.6 0.2 . 1 . . . . 49 THR CG2 . 7000 1 502 . 1 1 52 52 THR N N 15 116.7 0.2 . 1 . . . . 49 THR N . 7000 1 503 . 1 1 53 53 VAL H H 1 9.34 0.02 . 1 . . . . 50 VAL H . 7000 1 504 . 1 1 53 53 VAL HA H 1 4.64 0.02 . 1 . . . . 50 VAL HA . 7000 1 505 . 1 1 53 53 VAL HB H 1 1.88 0.02 . 1 . . . . 50 VAL HB . 7000 1 506 . 1 1 53 53 VAL HG11 H 1 0.83 0.02 . 2 . . . . 50 VAL HG1 . 7000 1 507 . 1 1 53 53 VAL HG12 H 1 0.83 0.02 . 2 . . . . 50 VAL HG1 . 7000 1 508 . 1 1 53 53 VAL HG13 H 1 0.83 0.02 . 2 . . . . 50 VAL HG1 . 7000 1 509 . 1 1 53 53 VAL HG21 H 1 0.83 0.02 . 2 . . . . 50 VAL HG2 . 7000 1 510 . 1 1 53 53 VAL HG22 H 1 0.83 0.02 . 2 . . . . 50 VAL HG2 . 7000 1 511 . 1 1 53 53 VAL HG23 H 1 0.83 0.02 . 2 . . . . 50 VAL HG2 . 7000 1 512 . 1 1 53 53 VAL C C 13 174.0 0.2 . 1 . . . . 50 VAL C . 7000 1 513 . 1 1 53 53 VAL CA C 13 60.4 0.2 . 1 . . . . 50 VAL CA . 7000 1 514 . 1 1 53 53 VAL CB C 13 36.0 0.2 . 1 . . . . 50 VAL CB . 7000 1 515 . 1 1 53 53 VAL CG1 C 13 21.0 0.2 . 1 . . . . 50 VAL CG1 . 7000 1 516 . 1 1 53 53 VAL CG2 C 13 21.0 0.2 . 1 . . . . 50 VAL CG2 . 7000 1 517 . 1 1 53 53 VAL N N 15 123.2 0.2 . 1 . . . . 50 VAL N . 7000 1 518 . 1 1 54 54 TYR H H 1 8.51 0.02 . 1 . . . . 51 TYR H . 7000 1 519 . 1 1 54 54 TYR HA H 1 4.46 0.02 . 1 . . . . 51 TYR HA . 7000 1 520 . 1 1 54 54 TYR HB2 H 1 3.04 0.02 . 2 . . . . 51 TYR HB2 . 7000 1 521 . 1 1 54 54 TYR HB3 H 1 2.54 0.02 . 2 . . . . 51 TYR HB3 . 7000 1 522 . 1 1 54 54 TYR HD1 H 1 6.95 0.02 . 1 . . . . 51 TYR HD1 . 7000 1 523 . 1 1 54 54 TYR HD2 H 1 6.95 0.02 . 1 . . . . 51 TYR HD2 . 7000 1 524 . 1 1 54 54 TYR HE1 H 1 6.67 0.02 . 1 . . . . 51 TYR HE1 . 7000 1 525 . 1 1 54 54 TYR HE2 H 1 6.67 0.02 . 1 . . . . 51 TYR HE2 . 7000 1 526 . 1 1 54 54 TYR CA C 13 55.6 0.2 . 1 . . . . 51 TYR CA . 7000 1 527 . 1 1 54 54 TYR CB C 13 37.6 0.2 . 1 . . . . 51 TYR CB . 7000 1 528 . 1 1 54 54 TYR CD1 C 13 132.9 0.2 . 1 . . . . 51 TYR CD1 . 7000 1 529 . 1 1 54 54 TYR CD2 C 13 132.9 0.2 . 1 . . . . 51 TYR CD2 . 7000 1 530 . 1 1 54 54 TYR CE1 C 13 118.0 0.2 . 1 . . . . 51 TYR CE1 . 7000 1 531 . 1 1 54 54 TYR CE2 C 13 118.0 0.2 . 1 . . . . 51 TYR CE2 . 7000 1 532 . 1 1 54 54 TYR N N 15 126.3 0.2 . 1 . . . . 51 TYR N . 7000 1 533 . 1 1 55 55 PRO HA H 1 4.34 0.02 . 1 . . . . 52 PRO HA . 7000 1 534 . 1 1 55 55 PRO HB2 H 1 2.15 0.02 . 2 . . . . 52 PRO HB2 . 7000 1 535 . 1 1 55 55 PRO HB3 H 1 2.00 0.02 . 2 . . . . 52 PRO HB3 . 7000 1 536 . 1 1 55 55 PRO HG2 H 1 2.07 0.02 . 2 . . . . 52 PRO HG2 . 7000 1 537 . 1 1 55 55 PRO HG3 H 1 1.65 0.02 . 2 . . . . 52 PRO HG3 . 7000 1 538 . 1 1 55 55 PRO HD2 H 1 3.55 0.02 . 2 . . . . 52 PRO HD2 . 7000 1 539 . 1 1 55 55 PRO HD3 H 1 3.38 0.02 . 2 . . . . 52 PRO HD3 . 7000 1 540 . 1 1 55 55 PRO C C 13 176.6 0.2 . 1 . . . . 52 PRO C . 7000 1 541 . 1 1 55 55 PRO CA C 13 63.5 0.2 . 1 . . . . 52 PRO CA . 7000 1 542 . 1 1 55 55 PRO CB C 13 32.9 0.2 . 1 . . . . 52 PRO CB . 7000 1 543 . 1 1 55 55 PRO CG C 13 27.9 0.2 . 1 . . . . 52 PRO CG . 7000 1 544 . 1 1 55 55 PRO CD C 13 50.4 0.2 . 1 . . . . 52 PRO CD . 7000 1 545 . 1 1 56 56 GLY H H 1 8.88 0.02 . 1 . . . . 53 GLY H . 7000 1 546 . 1 1 56 56 GLY HA2 H 1 4.38 0.02 . 2 . . . . 53 GLY HA2 . 7000 1 547 . 1 1 56 56 GLY HA3 H 1 3.91 0.02 . 2 . . . . 53 GLY HA3 . 7000 1 548 . 1 1 56 56 GLY C C 13 175.2 0.2 . 1 . . . . 53 GLY C . 7000 1 549 . 1 1 56 56 GLY CA C 13 44.1 0.2 . 1 . . . . 53 GLY CA . 7000 1 550 . 1 1 56 56 GLY N N 15 111.5 0.2 . 1 . . . . 53 GLY N . 7000 1 551 . 1 1 57 57 SER H H 1 8.29 0.02 . 1 . . . . 54 SER H . 7000 1 552 . 1 1 57 57 SER HA H 1 4.29 0.02 . 1 . . . . 54 SER HA . 7000 1 553 . 1 1 57 57 SER HB2 H 1 4.01 0.02 . 2 . . . . 54 SER HB2 . 7000 1 554 . 1 1 57 57 SER HB3 H 1 3.91 0.02 . 2 . . . . 54 SER HB3 . 7000 1 555 . 1 1 57 57 SER C C 13 174.9 0.2 . 1 . . . . 54 SER C . 7000 1 556 . 1 1 57 57 SER CA C 13 60.4 0.2 . 1 . . . . 54 SER CA . 7000 1 557 . 1 1 57 57 SER CB C 13 63.5 0.2 . 1 . . . . 54 SER CB . 7000 1 558 . 1 1 57 57 SER N N 15 114.6 0.2 . 1 . . . . 54 SER N . 7000 1 559 . 1 1 58 58 ASP H H 1 8.75 0.02 . 1 . . . . 55 ASP H . 7000 1 560 . 1 1 58 58 ASP HA H 1 4.72 0.02 . 1 . . . . 55 ASP HA . 7000 1 561 . 1 1 58 58 ASP HB2 H 1 2.79 0.02 . 2 . . . . 55 ASP HB2 . 7000 1 562 . 1 1 58 58 ASP HB3 H 1 2.74 0.02 . 2 . . . . 55 ASP HB3 . 7000 1 563 . 1 1 58 58 ASP C C 13 173.5 0.2 . 1 . . . . 55 ASP C . 7000 1 564 . 1 1 58 58 ASP CA C 13 54.1 0.2 . 1 . . . . 55 ASP CA . 7000 1 565 . 1 1 58 58 ASP CB C 13 40.4 0.2 . 1 . . . . 55 ASP CB . 7000 1 566 . 1 1 58 58 ASP N N 15 120.8 0.2 . 1 . . . . 55 ASP N . 7000 1 567 . 1 1 59 59 ALA H H 1 7.63 0.02 . 1 . . . . 56 ALA H . 7000 1 568 . 1 1 59 59 ALA HA H 1 5.46 0.02 . 1 . . . . 56 ALA HA . 7000 1 569 . 1 1 59 59 ALA HB1 H 1 1.32 0.02 . 1 . . . . 56 ALA HB . 7000 1 570 . 1 1 59 59 ALA HB2 H 1 1.32 0.02 . 1 . . . . 56 ALA HB . 7000 1 571 . 1 1 59 59 ALA HB3 H 1 1.32 0.02 . 1 . . . . 56 ALA HB . 7000 1 572 . 1 1 59 59 ALA C C 13 175.6 0.2 . 1 . . . . 56 ALA C . 7000 1 573 . 1 1 59 59 ALA CA C 13 50.4 0.2 . 1 . . . . 56 ALA CA . 7000 1 574 . 1 1 59 59 ALA CB C 13 22.8 0.2 . 1 . . . . 56 ALA CB . 7000 1 575 . 1 1 59 59 ALA N N 15 122.1 0.2 . 1 . . . . 56 ALA N . 7000 1 576 . 1 1 60 60 VAL H H 1 8.88 0.02 . 1 . . . . 57 VAL H . 7000 1 577 . 1 1 60 60 VAL HA H 1 4.49 0.02 . 1 . . . . 57 VAL HA . 7000 1 578 . 1 1 60 60 VAL HB H 1 2.02 0.02 . 1 . . . . 57 VAL HB . 7000 1 579 . 1 1 60 60 VAL HG11 H 1 0.91 0.02 . 2 . . . . 57 VAL HG1 . 7000 1 580 . 1 1 60 60 VAL HG12 H 1 0.91 0.02 . 2 . . . . 57 VAL HG1 . 7000 1 581 . 1 1 60 60 VAL HG13 H 1 0.91 0.02 . 2 . . . . 57 VAL HG1 . 7000 1 582 . 1 1 60 60 VAL HG21 H 1 0.83 0.02 . 2 . . . . 57 VAL HG2 . 7000 1 583 . 1 1 60 60 VAL HG22 H 1 0.83 0.02 . 2 . . . . 57 VAL HG2 . 7000 1 584 . 1 1 60 60 VAL HG23 H 1 0.83 0.02 . 2 . . . . 57 VAL HG2 . 7000 1 585 . 1 1 60 60 VAL C C 13 174.0 0.2 . 1 . . . . 57 VAL C . 7000 1 586 . 1 1 60 60 VAL CA C 13 60.4 0.2 . 1 . . . . 57 VAL CA . 7000 1 587 . 1 1 60 60 VAL CB C 13 36.0 0.2 . 1 . . . . 57 VAL CB . 7000 1 588 . 1 1 60 60 VAL CG1 C 13 21.3 0.2 . 2 . . . . 57 VAL CG1 . 7000 1 589 . 1 1 60 60 VAL CG2 C 13 20.0 0.2 . 2 . . . . 57 VAL CG2 . 7000 1 590 . 1 1 60 60 VAL N N 15 116.6 0.2 . 1 . . . . 57 VAL N . 7000 1 591 . 1 1 61 61 VAL H H 1 8.32 0.02 . 1 . . . . 58 VAL H . 7000 1 592 . 1 1 61 61 VAL HA H 1 4.89 0.02 . 1 . . . . 58 VAL HA . 7000 1 593 . 1 1 61 61 VAL HB H 1 1.88 0.02 . 1 . . . . 58 VAL HB . 7000 1 594 . 1 1 61 61 VAL HG11 H 1 0.81 0.02 . 2 . . . . 58 VAL HG1 . 7000 1 595 . 1 1 61 61 VAL HG12 H 1 0.81 0.02 . 2 . . . . 58 VAL HG1 . 7000 1 596 . 1 1 61 61 VAL HG13 H 1 0.81 0.02 . 2 . . . . 58 VAL HG1 . 7000 1 597 . 1 1 61 61 VAL HG21 H 1 0.81 0.02 . 2 . . . . 58 VAL HG2 . 7000 1 598 . 1 1 61 61 VAL HG22 H 1 0.81 0.02 . 2 . . . . 58 VAL HG2 . 7000 1 599 . 1 1 61 61 VAL HG23 H 1 0.81 0.02 . 2 . . . . 58 VAL HG2 . 7000 1 600 . 1 1 61 61 VAL C C 13 176.3 0.2 . 1 . . . . 58 VAL C . 7000 1 601 . 1 1 61 61 VAL CA C 13 61.3 0.2 . 1 . . . . 58 VAL CA . 7000 1 602 . 1 1 61 61 VAL CB C 13 32.9 0.2 . 1 . . . . 58 VAL CB . 7000 1 603 . 1 1 61 61 VAL CG1 C 13 21.2 0.2 . 2 . . . . 58 VAL CG1 . 7000 1 604 . 1 1 61 61 VAL CG2 C 13 21.6 0.2 . 2 . . . . 58 VAL CG2 . 7000 1 605 . 1 1 61 61 VAL N N 15 123.2 0.2 . 1 . . . . 58 VAL N . 7000 1 606 . 1 1 62 62 VAL H H 1 9.41 0.02 . 1 . . . . 59 VAL H . 7000 1 607 . 1 1 62 62 VAL HA H 1 4.47 0.02 . 1 . . . . 59 VAL HA . 7000 1 608 . 1 1 62 62 VAL HB H 1 1.54 0.02 . 1 . . . . 59 VAL HB . 7000 1 609 . 1 1 62 62 VAL HG11 H 1 0.71 0.02 . 1 . . . . 59 VAL HG1 . 7000 1 610 . 1 1 62 62 VAL HG12 H 1 0.71 0.02 . 1 . . . . 59 VAL HG1 . 7000 1 611 . 1 1 62 62 VAL HG13 H 1 0.71 0.02 . 1 . . . . 59 VAL HG1 . 7000 1 612 . 1 1 62 62 VAL HG21 H 1 1.19 0.02 . 1 . . . . 59 VAL HG2 . 7000 1 613 . 1 1 62 62 VAL HG22 H 1 1.19 0.02 . 1 . . . . 59 VAL HG2 . 7000 1 614 . 1 1 62 62 VAL HG23 H 1 1.19 0.02 . 1 . . . . 59 VAL HG2 . 7000 1 615 . 1 1 62 62 VAL C C 13 175.2 0.2 . 1 . . . . 59 VAL C . 7000 1 616 . 1 1 62 62 VAL CA C 13 60.4 0.2 . 1 . . . . 59 VAL CA . 7000 1 617 . 1 1 62 62 VAL CB C 13 34.1 0.2 . 1 . . . . 59 VAL CB . 7000 1 618 . 1 1 62 62 VAL CG1 C 13 21.0 0.2 . 1 . . . . 59 VAL CG1 . 7000 1 619 . 1 1 62 62 VAL CG2 C 13 22.3 0.2 . 1 . . . . 59 VAL CG2 . 7000 1 620 . 1 1 62 62 VAL N N 15 129.2 0.2 . 1 . . . . 59 VAL N . 7000 1 621 . 1 1 63 63 THR H H 1 8.64 0.02 . 1 . . . . 60 THR H . 7000 1 622 . 1 1 63 63 THR HA H 1 4.26 0.02 . 1 . . . . 60 THR HA . 7000 1 623 . 1 1 63 63 THR HB H 1 4.54 0.02 . 1 . . . . 60 THR HB . 7000 1 624 . 1 1 63 63 THR HG21 H 1 1.44 0.02 . 1 . . . . 60 THR HG2 . 7000 1 625 . 1 1 63 63 THR HG22 H 1 1.44 0.02 . 1 . . . . 60 THR HG2 . 7000 1 626 . 1 1 63 63 THR HG23 H 1 1.44 0.02 . 1 . . . . 60 THR HG2 . 7000 1 627 . 1 1 63 63 THR C C 13 175.9 0.2 . 1 . . . . 60 THR C . 7000 1 628 . 1 1 63 63 THR CA C 13 62.3 0.2 . 1 . . . . 60 THR CA . 7000 1 629 . 1 1 63 63 THR CB C 13 70.4 0.2 . 1 . . . . 60 THR CB . 7000 1 630 . 1 1 63 63 THR CG2 C 13 22.5 0.2 . 1 . . . . 60 THR CG2 . 7000 1 631 . 1 1 63 63 THR N N 15 118.2 0.2 . 1 . . . . 60 THR N . 7000 1 632 . 1 1 64 64 ALA H H 1 8.80 0.02 . 1 . . . . 61 ALA H . 7000 1 633 . 1 1 64 64 ALA HA H 1 4.34 0.02 . 1 . . . . 61 ALA HA . 7000 1 634 . 1 1 64 64 ALA HB1 H 1 1.65 0.02 . 1 . . . . 61 ALA HB . 7000 1 635 . 1 1 64 64 ALA HB2 H 1 1.65 0.02 . 1 . . . . 61 ALA HB . 7000 1 636 . 1 1 64 64 ALA HB3 H 1 1.65 0.02 . 1 . . . . 61 ALA HB . 7000 1 637 . 1 1 64 64 ALA C C 13 180.6 0.2 . 1 . . . . 61 ALA C . 7000 1 638 . 1 1 64 64 ALA CA C 13 56.6 0.2 . 1 . . . . 61 ALA CA . 7000 1 639 . 1 1 64 64 ALA CB C 13 19.1 0.2 . 1 . . . . 61 ALA CB . 7000 1 640 . 1 1 64 64 ALA N N 15 125.3 0.2 . 1 . . . . 61 ALA N . 7000 1 641 . 1 1 65 65 THR H H 1 8.32 0.02 . 1 . . . . 62 THR H . 7000 1 642 . 1 1 65 65 THR HA H 1 4.06 0.02 . 1 . . . . 62 THR HA . 7000 1 643 . 1 1 65 65 THR HB H 1 4.14 0.02 . 1 . . . . 62 THR HB . 7000 1 644 . 1 1 65 65 THR HG21 H 1 1.29 0.02 . 1 . . . . 62 THR HG2 . 7000 1 645 . 1 1 65 65 THR HG22 H 1 1.29 0.02 . 1 . . . . 62 THR HG2 . 7000 1 646 . 1 1 65 65 THR HG23 H 1 1.29 0.02 . 1 . . . . 62 THR HG2 . 7000 1 647 . 1 1 65 65 THR C C 13 176.8 0.2 . 1 . . . . 62 THR C . 7000 1 648 . 1 1 65 65 THR CA C 13 66.0 0.2 . 1 . . . . 62 THR CA . 7000 1 649 . 1 1 65 65 THR CB C 13 69.1 0.2 . 1 . . . . 62 THR CB . 7000 1 650 . 1 1 65 65 THR CG2 C 13 22.2 0.2 . 1 . . . . 62 THR CG2 . 7000 1 651 . 1 1 65 65 THR N N 15 109.9 0.2 . 1 . . . . 62 THR N . 7000 1 652 . 1 1 66 66 GLU H H 1 7.43 0.02 . 1 . . . . 63 GLU H . 7000 1 653 . 1 1 66 66 GLU HA H 1 4.11 0.02 . 1 . . . . 63 GLU HA . 7000 1 654 . 1 1 66 66 GLU HB2 H 1 2.15 0.02 . 1 . . . . 63 GLU HB2 . 7000 1 655 . 1 1 66 66 GLU HB3 H 1 2.15 0.02 . 1 . . . . 63 GLU HB3 . 7000 1 656 . 1 1 66 66 GLU HG2 H 1 2.21 0.02 . 2 . . . . 63 GLU HG2 . 7000 1 657 . 1 1 66 66 GLU HG3 H 1 2.31 0.02 . 2 . . . . 63 GLU HG3 . 7000 1 658 . 1 1 66 66 GLU C C 13 179.6 0.2 . 1 . . . . 63 GLU C . 7000 1 659 . 1 1 66 66 GLU CA C 13 59.8 0.2 . 1 . . . . 63 GLU CA . 7000 1 660 . 1 1 66 66 GLU CB C 13 29.1 0.2 . 1 . . . . 63 GLU CB . 7000 1 661 . 1 1 66 66 GLU CG C 13 37.3 0.2 . 1 . . . . 63 GLU CG . 7000 1 662 . 1 1 66 66 GLU N N 15 121.6 0.2 . 1 . . . . 63 GLU N . 7000 1 663 . 1 1 67 67 HIS H H 1 8.92 0.02 . 1 . . . . 64 HIS H . 7000 1 664 . 1 1 67 67 HIS HA H 1 4.77 0.02 . 1 . . . . 64 HIS HA . 7000 1 665 . 1 1 67 67 HIS HB2 H 1 2.92 0.02 . 2 . . . . 64 HIS HB2 . 7000 1 666 . 1 1 67 67 HIS HB3 H 1 2.79 0.02 . 2 . . . . 64 HIS HB3 . 7000 1 667 . 1 1 67 67 HIS C C 13 177.7 0.2 . 1 . . . . 64 HIS C . 7000 1 668 . 1 1 67 67 HIS CA C 13 58.7 0.2 . 1 . . . . 64 HIS CA . 7000 1 669 . 1 1 67 67 HIS CB C 13 31.6 0.2 . 1 . . . . 64 HIS CB . 7000 1 670 . 1 1 67 67 HIS N N 15 123.2 0.2 . 1 . . . . 64 HIS N . 7000 1 671 . 1 1 68 68 ALA H H 1 8.15 0.02 . 1 . . . . 65 ALA H . 7000 1 672 . 1 1 68 68 ALA HA H 1 3.83 0.02 . 1 . . . . 65 ALA HA . 7000 1 673 . 1 1 68 68 ALA HB1 H 1 1.54 0.02 . 1 . . . . 65 ALA HB . 7000 1 674 . 1 1 68 68 ALA HB2 H 1 1.54 0.02 . 1 . . . . 65 ALA HB . 7000 1 675 . 1 1 68 68 ALA HB3 H 1 1.54 0.02 . 1 . . . . 65 ALA HB . 7000 1 676 . 1 1 68 68 ALA C C 13 181.5 0.2 . 1 . . . . 65 ALA C . 7000 1 677 . 1 1 68 68 ALA CA C 13 55.4 0.2 . 1 . . . . 65 ALA CA . 7000 1 678 . 1 1 68 68 ALA CB C 13 17.6 0.2 . 1 . . . . 65 ALA CB . 7000 1 679 . 1 1 68 68 ALA N N 15 118.5 0.2 . 1 . . . . 65 ALA N . 7000 1 680 . 1 1 69 69 GLU H H 1 8.02 0.02 . 1 . . . . 66 GLU H . 7000 1 681 . 1 1 69 69 GLU HA H 1 4.01 0.02 . 1 . . . . 66 GLU HA . 7000 1 682 . 1 1 69 69 GLU HB2 H 1 2.08 0.02 . 2 . . . . 66 GLU HB2 . 7000 1 683 . 1 1 69 69 GLU HB3 H 1 1.99 0.02 . 2 . . . . 66 GLU HB3 . 7000 1 684 . 1 1 69 69 GLU HG2 H 1 2.37 0.02 . 1 . . . . 66 GLU HG2 . 7000 1 685 . 1 1 69 69 GLU HG3 H 1 2.37 0.02 . 1 . . . . 66 GLU HG3 . 7000 1 686 . 1 1 69 69 GLU C C 13 178.9 0.2 . 1 . . . . 66 GLU C . 7000 1 687 . 1 1 69 69 GLU CA C 13 59.1 0.2 . 1 . . . . 66 GLU CA . 7000 1 688 . 1 1 69 69 GLU CB C 13 29.1 0.2 . 1 . . . . 66 GLU CB . 7000 1 689 . 1 1 69 69 GLU CG C 13 36.0 0.2 . 1 . . . . 66 GLU CG . 7000 1 690 . 1 1 69 69 GLU N N 15 118.5 0.2 . 1 . . . . 66 GLU N . 7000 1 691 . 1 1 70 70 ALA H H 1 8.25 0.02 . 1 . . . . 67 ALA H . 7000 1 692 . 1 1 70 70 ALA HA H 1 3.98 0.02 . 1 . . . . 67 ALA HA . 7000 1 693 . 1 1 70 70 ALA HB1 H 1 1.59 0.02 . 1 . . . . 67 ALA HB . 7000 1 694 . 1 1 70 70 ALA HB2 H 1 1.59 0.02 . 1 . . . . 67 ALA HB . 7000 1 695 . 1 1 70 70 ALA HB3 H 1 1.59 0.02 . 1 . . . . 67 ALA HB . 7000 1 696 . 1 1 70 70 ALA C C 13 181.3 0.2 . 1 . . . . 67 ALA C . 7000 1 697 . 1 1 70 70 ALA CA C 13 55.4 0.2 . 1 . . . . 67 ALA CA . 7000 1 698 . 1 1 70 70 ALA CB C 13 18.5 0.2 . 1 . . . . 67 ALA CB . 7000 1 699 . 1 1 70 70 ALA N N 15 123.5 0.2 . 1 . . . . 67 ALA N . 7000 1 700 . 1 1 71 71 GLU H H 1 8.33 0.02 . 1 . . . . 68 GLU H . 7000 1 701 . 1 1 71 71 GLU HA H 1 3.42 0.02 . 1 . . . . 68 GLU HA . 7000 1 702 . 1 1 71 71 GLU HB2 H 1 1.84 0.02 . 2 . . . . 68 GLU HB2 . 7000 1 703 . 1 1 71 71 GLU HB3 H 1 1.70 0.02 . 2 . . . . 68 GLU HB3 . 7000 1 704 . 1 1 71 71 GLU HG2 H 1 2.23 0.02 . 2 . . . . 68 GLU HG2 . 7000 1 705 . 1 1 71 71 GLU HG3 H 1 1.86 0.02 . 2 . . . . 68 GLU HG3 . 7000 1 706 . 1 1 71 71 GLU C C 13 177.7 0.2 . 1 . . . . 68 GLU C . 7000 1 707 . 1 1 71 71 GLU CA C 13 60.4 0.2 . 1 . . . . 68 GLU CA . 7000 1 708 . 1 1 71 71 GLU CB C 13 29.1 0.2 . 1 . . . . 68 GLU CB . 7000 1 709 . 1 1 71 71 GLU CG C 13 39.1 0.2 . 1 . . . . 68 GLU CG . 7000 1 710 . 1 1 71 71 GLU N N 15 121.9 0.2 . 1 . . . . 68 GLU N . 7000 1 711 . 1 1 72 72 LYS H H 1 7.45 0.02 . 1 . . . . 69 LYS H . 7000 1 712 . 1 1 72 72 LYS HA H 1 3.55 0.02 . 1 . . . . 69 LYS HA . 7000 1 713 . 1 1 72 72 LYS HB2 H 1 1.87 0.02 . 2 . . . . 69 LYS HB2 . 7000 1 714 . 1 1 72 72 LYS HB3 H 1 1.70 0.02 . 2 . . . . 69 LYS HB3 . 7000 1 715 . 1 1 72 72 LYS HG2 H 1 1.44 0.02 . 1 . . . . 69 LYS HG2 . 7000 1 716 . 1 1 72 72 LYS HG3 H 1 1.44 0.02 . 1 . . . . 69 LYS HG3 . 7000 1 717 . 1 1 72 72 LYS HD2 H 1 1.50 0.02 . 2 . . . . 69 LYS HD2 . 7000 1 718 . 1 1 72 72 LYS HD3 H 1 1.00 0.02 . 2 . . . . 69 LYS HD3 . 7000 1 719 . 1 1 72 72 LYS HE2 H 1 2.56 0.02 . 2 . . . . 69 LYS HE2 . 7000 1 720 . 1 1 72 72 LYS HE3 H 1 2.51 0.02 . 2 . . . . 69 LYS HE3 . 7000 1 721 . 1 1 72 72 LYS C C 13 179.9 0.2 . 1 . . . . 69 LYS C . 7000 1 722 . 1 1 72 72 LYS CA C 13 60.4 0.2 . 1 . . . . 69 LYS CA . 7000 1 723 . 1 1 72 72 LYS CB C 13 31.6 0.2 . 1 . . . . 69 LYS CB . 7000 1 724 . 1 1 72 72 LYS CG C 13 29.1 0.2 . 1 . . . . 69 LYS CG . 7000 1 725 . 1 1 72 72 LYS CD C 13 26.0 0.2 . 1 . . . . 69 LYS CD . 7000 1 726 . 1 1 72 72 LYS CE C 13 41.6 0.2 . 1 . . . . 69 LYS CE . 7000 1 727 . 1 1 72 72 LYS N N 15 118.1 0.2 . 1 . . . . 69 LYS N . 7000 1 728 . 1 1 73 73 ARG H H 1 7.80 0.02 . 1 . . . . 70 ARG H . 7000 1 729 . 1 1 73 73 ARG HA H 1 3.98 0.02 . 1 . . . . 70 ARG HA . 7000 1 730 . 1 1 73 73 ARG HB2 H 1 1.86 0.02 . 2 . . . . 70 ARG HB2 . 7000 1 731 . 1 1 73 73 ARG HB3 H 1 1.69 0.02 . 2 . . . . 70 ARG HB3 . 7000 1 732 . 1 1 73 73 ARG HG2 H 1 1.85 0.02 . 2 . . . . 70 ARG HG2 . 7000 1 733 . 1 1 73 73 ARG HG3 H 1 1.44 0.02 . 2 . . . . 70 ARG HG3 . 7000 1 734 . 1 1 73 73 ARG HD2 H 1 3.27 0.02 . 2 . . . . 70 ARG HD2 . 7000 1 735 . 1 1 73 73 ARG HD3 H 1 3.09 0.02 . 2 . . . . 70 ARG HD3 . 7000 1 736 . 1 1 73 73 ARG C C 13 179.4 0.2 . 1 . . . . 70 ARG C . 7000 1 737 . 1 1 73 73 ARG CA C 13 59.8 0.2 . 1 . . . . 70 ARG CA . 7000 1 738 . 1 1 73 73 ARG CB C 13 30.4 0.2 . 1 . . . . 70 ARG CB . 7000 1 739 . 1 1 73 73 ARG CG C 13 27.9 0.2 . 1 . . . . 70 ARG CG . 7000 1 740 . 1 1 73 73 ARG CD C 13 43.5 0.2 . 1 . . . . 70 ARG CD . 7000 1 741 . 1 1 73 73 ARG N N 15 119.4 0.2 . 1 . . . . 70 ARG N . 7000 1 742 . 1 1 74 74 ALA H H 1 7.87 0.02 . 1 . . . . 71 ALA H . 7000 1 743 . 1 1 74 74 ALA HA H 1 3.93 0.02 . 1 . . . . 71 ALA HA . 7000 1 744 . 1 1 74 74 ALA HB1 H 1 1.32 0.02 . 1 . . . . 71 ALA HB . 7000 1 745 . 1 1 74 74 ALA HB2 H 1 1.32 0.02 . 1 . . . . 71 ALA HB . 7000 1 746 . 1 1 74 74 ALA HB3 H 1 1.32 0.02 . 1 . . . . 71 ALA HB . 7000 1 747 . 1 1 74 74 ALA C C 13 178.9 0.2 . 1 . . . . 71 ALA C . 7000 1 748 . 1 1 74 74 ALA CA C 13 55.4 0.2 . 1 . . . . 71 ALA CA . 7000 1 749 . 1 1 74 74 ALA CB C 13 18.5 0.2 . 1 . . . . 71 ALA CB . 7000 1 750 . 1 1 74 74 ALA N N 15 124.4 0.2 . 1 . . . . 71 ALA N . 7000 1 751 . 1 1 75 75 ALA H H 1 8.02 0.02 . 1 . . . . 72 ALA H . 7000 1 752 . 1 1 75 75 ALA HA H 1 3.48 0.02 . 1 . . . . 72 ALA HA . 7000 1 753 . 1 1 75 75 ALA HB1 H 1 0.27 0.02 . 1 . . . . 72 ALA HB . 7000 1 754 . 1 1 75 75 ALA HB2 H 1 0.27 0.02 . 1 . . . . 72 ALA HB . 7000 1 755 . 1 1 75 75 ALA HB3 H 1 0.27 0.02 . 1 . . . . 72 ALA HB . 7000 1 756 . 1 1 75 75 ALA C C 13 180.6 0.2 . 1 . . . . 72 ALA C . 7000 1 757 . 1 1 75 75 ALA CA C 13 54.8 0.2 . 1 . . . . 72 ALA CA . 7000 1 758 . 1 1 75 75 ALA CB C 13 16.6 0.2 . 1 . . . . 72 ALA CB . 7000 1 759 . 1 1 75 75 ALA N N 15 119.9 0.2 . 1 . . . . 72 ALA N . 7000 1 760 . 1 1 76 76 ALA H H 1 7.32 0.02 . 1 . . . . 73 ALA H . 7000 1 761 . 1 1 76 76 ALA HA H 1 4.16 0.02 . 1 . . . . 73 ALA HA . 7000 1 762 . 1 1 76 76 ALA HB1 H 1 1.44 0.02 . 1 . . . . 73 ALA HB . 7000 1 763 . 1 1 76 76 ALA HB2 H 1 1.44 0.02 . 1 . . . . 73 ALA HB . 7000 1 764 . 1 1 76 76 ALA HB3 H 1 1.44 0.02 . 1 . . . . 73 ALA HB . 7000 1 765 . 1 1 76 76 ALA C C 13 179.9 0.2 . 1 . . . . 73 ALA C . 7000 1 766 . 1 1 76 76 ALA CA C 13 54.1 0.2 . 1 . . . . 73 ALA CA . 7000 1 767 . 1 1 76 76 ALA CB C 13 17.9 0.2 . 1 . . . . 73 ALA CB . 7000 1 768 . 1 1 76 76 ALA N N 15 119.9 0.2 . 1 . . . . 73 ALA N . 7000 1 769 . 1 1 77 77 ARG H H 1 7.54 0.02 . 1 . . . . 74 ARG H . 7000 1 770 . 1 1 77 77 ARG HA H 1 4.22 0.02 . 1 . . . . 74 ARG HA . 7000 1 771 . 1 1 77 77 ARG HB2 H 1 1.91 0.02 . 1 . . . . 74 ARG HB2 . 7000 1 772 . 1 1 77 77 ARG HB3 H 1 1.91 0.02 . 1 . . . . 74 ARG HB3 . 7000 1 773 . 1 1 77 77 ARG HD2 H 1 3.23 0.02 . 2 . . . . 74 ARG HD2 . 7000 1 774 . 1 1 77 77 ARG HD3 H 1 3.11 0.02 . 2 . . . . 74 ARG HD3 . 7000 1 775 . 1 1 77 77 ARG C C 13 177.7 0.2 . 1 . . . . 74 ARG C . 7000 1 776 . 1 1 77 77 ARG CA C 13 57.9 0.2 . 1 . . . . 74 ARG CA . 7000 1 777 . 1 1 77 77 ARG CB C 13 30.4 0.2 . 1 . . . . 74 ARG CB . 7000 1 778 . 1 1 77 77 ARG CG C 13 27.9 0.2 . 1 . . . . 74 ARG CG . 7000 1 779 . 1 1 77 77 ARG CD C 13 43.7 0.2 . 1 . . . . 74 ARG CD . 7000 1 780 . 1 1 77 77 ARG N N 15 118.2 0.2 . 1 . . . . 74 ARG N . 7000 1 781 . 1 1 78 78 ALA H H 1 7.85 0.02 . 1 . . . . 75 ALA H . 7000 1 782 . 1 1 78 78 ALA HA H 1 4.21 0.02 . 1 . . . . 75 ALA HA . 7000 1 783 . 1 1 78 78 ALA HB1 H 1 1.55 0.02 . 1 . . . . 75 ALA HB . 7000 1 784 . 1 1 78 78 ALA HB2 H 1 1.55 0.02 . 1 . . . . 75 ALA HB . 7000 1 785 . 1 1 78 78 ALA HB3 H 1 1.55 0.02 . 1 . . . . 75 ALA HB . 7000 1 786 . 1 1 78 78 ALA C C 13 177.0 0.2 . 1 . . . . 75 ALA C . 7000 1 787 . 1 1 78 78 ALA CA C 13 54.1 0.2 . 1 . . . . 75 ALA CA . 7000 1 788 . 1 1 78 78 ALA CB C 13 19.1 0.2 . 1 . . . . 75 ALA CB . 7000 1 789 . 1 1 78 78 ALA N N 15 121.4 0.2 . 1 . . . . 75 ALA N . 7000 1 790 . 1 1 79 79 GLY H H 1 7.66 0.02 . 1 . . . . 76 GLY H . 7000 1 791 . 1 1 79 79 GLY HA2 H 1 4.28 0.02 . 2 . . . . 76 GLY HA2 . 7000 1 792 . 1 1 79 79 GLY HA3 H 1 4.06 0.02 . 2 . . . . 76 GLY HA3 . 7000 1 793 . 1 1 79 79 GLY C C 13 173.8 0.02 . 1 . . . . 76 GLY C . 7000 1 794 . 1 1 79 79 GLY CA C 13 45.4 0.2 . 1 . . . . 76 GLY CA . 7000 1 795 . 1 1 79 79 GLY N N 15 103.2 0.2 . 1 . . . . 76 GLY N . 7000 1 796 . 1 1 80 80 HIS H H 1 7.99 0.02 . 1 . . . . 77 HIS H . 7000 1 797 . 1 1 80 80 HIS HA H 1 4.70 0.02 . 1 . . . . 77 HIS HA . 7000 1 798 . 1 1 80 80 HIS HB2 H 1 3.22 0.02 . 2 . . . . 77 HIS HB2 . 7000 1 799 . 1 1 80 80 HIS HB3 H 1 3.12 0.02 . 2 . . . . 77 HIS HB3 . 7000 1 800 . 1 1 80 80 HIS HD2 H 1 6.91 0.02 . 1 . . . . 77 HIS HD2 . 7000 1 801 . 1 1 80 80 HIS C C 13 174.9 0.2 . 1 . . . . 77 HIS C . 7000 1 802 . 1 1 80 80 HIS CA C 13 55.6 0.2 . 1 . . . . 77 HIS CA . 7000 1 803 . 1 1 80 80 HIS CB C 13 31.0 0.2 . 1 . . . . 77 HIS CB . 7000 1 804 . 1 1 80 80 HIS CD2 C 13 119.6 0.2 . 1 . . . . 77 HIS CD2 . 7000 1 805 . 1 1 80 80 HIS N N 15 120.0 0.2 . 1 . . . . 77 HIS N . 7000 1 806 . 1 1 81 81 ALA H H 1 8.32 0.02 . 1 . . . . 78 ALA H . 7000 1 807 . 1 1 81 81 ALA HA H 1 4.26 0.02 . 1 . . . . 78 ALA HA . 7000 1 808 . 1 1 81 81 ALA HB1 H 1 1.29 0.02 . 1 . . . . 78 ALA HB . 7000 1 809 . 1 1 81 81 ALA HB2 H 1 1.29 0.02 . 1 . . . . 78 ALA HB . 7000 1 810 . 1 1 81 81 ALA HB3 H 1 1.29 0.02 . 1 . . . . 78 ALA HB . 7000 1 811 . 1 1 81 81 ALA C C 13 177.3 0.2 . 1 . . . . 78 ALA C . 7000 1 812 . 1 1 81 81 ALA CA C 13 52.3 0.2 . 1 . . . . 78 ALA CA . 7000 1 813 . 1 1 81 81 ALA CB C 13 19.1 0.2 . 1 . . . . 78 ALA CB . 7000 1 814 . 1 1 81 81 ALA N N 15 126.1 0.2 . 1 . . . . 78 ALA N . 7000 1 815 . 1 1 82 82 ALA H H 1 8.17 0.02 . 1 . . . . 79 ALA H . 7000 1 816 . 1 1 82 82 ALA HA H 1 4.26 0.02 . 1 . . . . 79 ALA HA . 7000 1 817 . 1 1 82 82 ALA HB1 H 1 1.31 0.02 . 1 . . . . 79 ALA HB . 7000 1 818 . 1 1 82 82 ALA HB2 H 1 1.31 0.02 . 1 . . . . 79 ALA HB . 7000 1 819 . 1 1 82 82 ALA HB3 H 1 1.31 0.02 . 1 . . . . 79 ALA HB . 7000 1 820 . 1 1 82 82 ALA C C 13 178.0 0.2 . 1 . . . . 79 ALA C . 7000 1 821 . 1 1 82 82 ALA CA C 13 52.9 0.2 . 1 . . . . 79 ALA CA . 7000 1 822 . 1 1 82 82 ALA CB C 13 19.1 0.2 . 1 . . . . 79 ALA CB . 7000 1 823 . 1 1 82 82 ALA N N 15 123.8 0.2 . 1 . . . . 79 ALA N . 7000 1 824 . 1 1 83 83 THR H H 1 8.07 0.02 . 1 . . . . 80 THR H . 7000 1 825 . 1 1 83 83 THR CA C 13 62.5 0.2 . 1 . . . . 80 THR CA . 7000 1 826 . 1 1 83 83 THR CB C 13 69.5 0.2 . 1 . . . . 80 THR CB . 7000 1 stop_ save_