data_17586 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17586 _Entry.Title ; Rv0020c_FHA Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-11 _Entry.Accession_date 2011-04-11 _Entry.Last_release_date 2011-10-26 _Entry.Original_release_date 2011-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Philippe Barthe . P. . 17586 2 Martin Cohen-Gonsaud . M. . 17586 3 Christian Roumestand . C. . 17586 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17586 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FhaA . 17586 PROTEIN . 17586 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17586 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 287 17586 '15N chemical shifts' 114 17586 '1H chemical shifts' 673 17586 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-10-26 2011-04-11 original author . 17586 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17585 'Rv0020c_Nter structure' 17586 PDB 2LC1 'BMRB Entry Tracking System' 17586 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17586 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22000520 _Citation.Full_citation . _Citation.Title 'Structural Insight into the Mycobacterium tuberculosis Rv0020c Protein and Its Interaction with the PknB Kinase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 19 _Citation.Journal_issue 10 _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 1525 _Citation.Page_last 1534 _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 Christian Roumestand . . . 17586 1 2 Jade Leiba . . . 17586 1 3 Nathalie Galophe . . . 17586 1 4 Emmanuel Margeat . . . 17586 1 5 Andre Padilla . . . 17586 1 6 Yannick Bessin . . . 17586 1 7 Philippe Barthe . . . 17586 1 8 Virginie Molle . . . 17586 1 9 Martin Cohen-Gonsaud . . . 17586 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17586 _Assembly.ID 1 _Assembly.Name Rv0020c_FHA _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 Rv0020c_FHA 1 $entity A . yes native no no . . . 17586 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17586 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv0020c_FHA _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 ; GHGSAGTSVTLQLDDGSGRT YQLREGSNIIGRGQDAQFRL PDTGVSRRHLEIRWDGQVAL LADLNSTNGTTVNNAPVQEW QLADGDVIRLGHSEIIVRMH ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10888.060 _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 2LC1 . "Rv0020c_fha Structure" . . . . . 100.00 100 100.00 100.00 4.93e-64 . . . . 17586 1 2 no PDB 3OUN . "Crystal Structure Of The Fhaa Fha Domain Complexed With The Intracellular Domain Of Rv3910" . . . . . 98.00 157 98.98 100.00 7.51e-61 . . . . 17586 1 3 no PDB 3PO8 . "Structural And Functional Analysis Of Phosphothreonine-Dependent Fha Domain Interactions" . . . . . 97.00 100 100.00 100.00 1.38e-61 . . . . 17586 1 4 no PDB 3POA . "Structural And Functional Analysis Of Phosphothreonine-Dependent Fha Domain Interactions" . . . . . 97.00 100 100.00 100.00 1.38e-61 . . . . 17586 1 5 no DBJ BAH24322 . "hypothetical protein JTY_0020 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 100.00 521 99.00 100.00 7.48e-61 . . . . 17586 1 6 no DBJ BAL63843 . "hypothetical protein ERDMAN_0025 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 521 99.00 100.00 7.64e-61 . . . . 17586 1 7 no DBJ BAN29123 . "hypothetical protein MAH_0049 [Mycobacterium avium subsp. hominissuis TH135]" . . . . . 92.00 545 97.83 100.00 1.28e-54 . . . . 17586 1 8 no DBJ BAQ03850 . "hypothetical protein KURONO_0028 [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 527 99.00 100.00 8.37e-61 . . . . 17586 1 9 no EMBL CAL70034 . "Conserved hypothetical protein TB39.8 [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 521 99.00 100.00 7.48e-61 . . . . 17586 1 10 no EMBL CCC25094 . "putative uncharacterized protein [Mycobacterium africanum GM041182]" . . . . . 100.00 521 99.00 100.00 6.80e-61 . . . . 17586 1 11 no EMBL CCC42360 . "conserved hypothetical protein TB39.8 [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 521 99.00 100.00 7.32e-61 . . . . 17586 1 12 no EMBL CCC62613 . "conserved hypothetical protein TB39.8 [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 100.00 521 99.00 100.00 7.48e-61 . . . . 17586 1 13 no EMBL CCE35563 . "TB39.8 [Mycobacterium tuberculosis UT205]" . . . . . 100.00 527 99.00 100.00 8.37e-61 . . . . 17586 1 14 no GB AAK44245 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 521 99.00 100.00 7.64e-61 . . . . 17586 1 15 no GB AAS02340 . "hypothetical protein MAP_0023c [Mycobacterium avium subsp. paratuberculosis K-10]" . . . . . 92.00 544 97.83 100.00 1.02e-54 . . . . 17586 1 16 no GB ABK67403 . "xyppx repeat family protein [Mycobacterium avium 104]" . . . . . 92.00 545 97.83 100.00 1.16e-54 . . . . 17586 1 17 no GB ABQ71740 . "hypothetical protein MRA_0022 [Mycobacterium tuberculosis H37Ra]" . . . . . 100.00 527 99.00 100.00 8.37e-61 . . . . 17586 1 18 no GB ABR04363 . "conserved hypothetical protein TB39.8 [Mycobacterium tuberculosis F11]" . . . . . 100.00 527 99.00 100.00 8.37e-61 . . . . 17586 1 19 no REF NP_214534 . "FHA domain-containing protein FhaA [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 527 99.00 100.00 8.37e-61 . . . . 17586 1 20 no REF NP_853690 . "hypothetical protein Mb0020c [Mycobacterium bovis AF2122/97]" . . . . . 100.00 521 99.00 100.00 8.76e-61 . . . . 17586 1 21 no REF WP_003400376 . "MULTISPECIES: hypothetical protein [Mycobacterium tuberculosis complex]" . . . . . 100.00 521 99.00 100.00 6.80e-61 . . . . 17586 1 22 no REF WP_003872107 . "hypothetical protein [Mycobacterium avium]" . . . . . 92.00 511 97.83 100.00 1.04e-54 . . . . 17586 1 23 no REF WP_003876793 . "hypothetical protein [Mycobacterium avium]" . . . . . 92.00 544 97.83 100.00 1.02e-54 . . . . 17586 1 24 no SP P71590 . "RecName: Full=FHA domain-containing protein FhaA" . . . . . 100.00 527 99.00 100.00 8.37e-61 . . . . 17586 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 . 17586 1 2 . HIS . 17586 1 3 . GLY . 17586 1 4 . SER . 17586 1 5 . ALA . 17586 1 6 . GLY . 17586 1 7 . THR . 17586 1 8 . SER . 17586 1 9 . VAL . 17586 1 10 . THR . 17586 1 11 . LEU . 17586 1 12 . GLN . 17586 1 13 . LEU . 17586 1 14 . ASP . 17586 1 15 . ASP . 17586 1 16 . GLY . 17586 1 17 . SER . 17586 1 18 . GLY . 17586 1 19 . ARG . 17586 1 20 . THR . 17586 1 21 . TYR . 17586 1 22 . GLN . 17586 1 23 . LEU . 17586 1 24 . ARG . 17586 1 25 . GLU . 17586 1 26 . GLY . 17586 1 27 . SER . 17586 1 28 . ASN . 17586 1 29 . ILE . 17586 1 30 . ILE . 17586 1 31 . GLY . 17586 1 32 . ARG . 17586 1 33 . GLY . 17586 1 34 . GLN . 17586 1 35 . ASP . 17586 1 36 . ALA . 17586 1 37 . GLN . 17586 1 38 . PHE . 17586 1 39 . ARG . 17586 1 40 . LEU . 17586 1 41 . PRO . 17586 1 42 . ASP . 17586 1 43 . THR . 17586 1 44 . GLY . 17586 1 45 . VAL . 17586 1 46 . SER . 17586 1 47 . ARG . 17586 1 48 . ARG . 17586 1 49 . HIS . 17586 1 50 . LEU . 17586 1 51 . GLU . 17586 1 52 . ILE . 17586 1 53 . ARG . 17586 1 54 . TRP . 17586 1 55 . ASP . 17586 1 56 . GLY . 17586 1 57 . GLN . 17586 1 58 . VAL . 17586 1 59 . ALA . 17586 1 60 . LEU . 17586 1 61 . LEU . 17586 1 62 . ALA . 17586 1 63 . ASP . 17586 1 64 . LEU . 17586 1 65 . ASN . 17586 1 66 . SER . 17586 1 67 . THR . 17586 1 68 . ASN . 17586 1 69 . GLY . 17586 1 70 . THR . 17586 1 71 . THR . 17586 1 72 . VAL . 17586 1 73 . ASN . 17586 1 74 . ASN . 17586 1 75 . ALA . 17586 1 76 . PRO . 17586 1 77 . VAL . 17586 1 78 . GLN . 17586 1 79 . GLU . 17586 1 80 . TRP . 17586 1 81 . GLN . 17586 1 82 . LEU . 17586 1 83 . ALA . 17586 1 84 . ASP . 17586 1 85 . GLY . 17586 1 86 . ASP . 17586 1 87 . VAL . 17586 1 88 . ILE . 17586 1 89 . ARG . 17586 1 90 . LEU . 17586 1 91 . GLY . 17586 1 92 . HIS . 17586 1 93 . SER . 17586 1 94 . GLU . 17586 1 95 . ILE . 17586 1 96 . ILE . 17586 1 97 . VAL . 17586 1 98 . ARG . 17586 1 99 . MET . 17586 1 100 . HIS . 17586 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 17586 1 . HIS 2 2 17586 1 . GLY 3 3 17586 1 . SER 4 4 17586 1 . ALA 5 5 17586 1 . GLY 6 6 17586 1 . THR 7 7 17586 1 . SER 8 8 17586 1 . VAL 9 9 17586 1 . THR 10 10 17586 1 . LEU 11 11 17586 1 . GLN 12 12 17586 1 . LEU 13 13 17586 1 . ASP 14 14 17586 1 . ASP 15 15 17586 1 . GLY 16 16 17586 1 . SER 17 17 17586 1 . GLY 18 18 17586 1 . ARG 19 19 17586 1 . THR 20 20 17586 1 . TYR 21 21 17586 1 . GLN 22 22 17586 1 . LEU 23 23 17586 1 . ARG 24 24 17586 1 . GLU 25 25 17586 1 . GLY 26 26 17586 1 . SER 27 27 17586 1 . ASN 28 28 17586 1 . ILE 29 29 17586 1 . ILE 30 30 17586 1 . GLY 31 31 17586 1 . ARG 32 32 17586 1 . GLY 33 33 17586 1 . GLN 34 34 17586 1 . ASP 35 35 17586 1 . ALA 36 36 17586 1 . GLN 37 37 17586 1 . PHE 38 38 17586 1 . ARG 39 39 17586 1 . LEU 40 40 17586 1 . PRO 41 41 17586 1 . ASP 42 42 17586 1 . THR 43 43 17586 1 . GLY 44 44 17586 1 . VAL 45 45 17586 1 . SER 46 46 17586 1 . ARG 47 47 17586 1 . ARG 48 48 17586 1 . HIS 49 49 17586 1 . LEU 50 50 17586 1 . GLU 51 51 17586 1 . ILE 52 52 17586 1 . ARG 53 53 17586 1 . TRP 54 54 17586 1 . ASP 55 55 17586 1 . GLY 56 56 17586 1 . GLN 57 57 17586 1 . VAL 58 58 17586 1 . ALA 59 59 17586 1 . LEU 60 60 17586 1 . LEU 61 61 17586 1 . ALA 62 62 17586 1 . ASP 63 63 17586 1 . LEU 64 64 17586 1 . ASN 65 65 17586 1 . SER 66 66 17586 1 . THR 67 67 17586 1 . ASN 68 68 17586 1 . GLY 69 69 17586 1 . THR 70 70 17586 1 . THR 71 71 17586 1 . VAL 72 72 17586 1 . ASN 73 73 17586 1 . ASN 74 74 17586 1 . ALA 75 75 17586 1 . PRO 76 76 17586 1 . VAL 77 77 17586 1 . GLN 78 78 17586 1 . GLU 79 79 17586 1 . TRP 80 80 17586 1 . GLN 81 81 17586 1 . LEU 82 82 17586 1 . ALA 83 83 17586 1 . ASP 84 84 17586 1 . GLY 85 85 17586 1 . ASP 86 86 17586 1 . VAL 87 87 17586 1 . ILE 88 88 17586 1 . ARG 89 89 17586 1 . LEU 90 90 17586 1 . GLY 91 91 17586 1 . HIS 92 92 17586 1 . SER 93 93 17586 1 . GLU 94 94 17586 1 . ILE 95 95 17586 1 . ILE 96 96 17586 1 . VAL 97 97 17586 1 . ARG 98 98 17586 1 . MET 99 99 17586 1 . HIS 100 100 17586 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 17586 _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 $entity . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37rv . . . . . . . . . . . . . . . rv0020c . . . . 17586 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 17586 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b-tev . . . . . . 17586 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 17586 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details Rv0020c_FHA _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Rv0020c_FHA [U-15N] . . 1 $entity . . 0.5 . . mM 0.01 . . . 17586 1 stop_ save_ save_13C-15N _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N _Sample.Entry_ID 17586 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details Rv0020c_FHA _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Rv0020c_FHA '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM 0.01 . . . 17586 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 17586 _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' 100 1 mM 17586 1 pH 6.8 0.1 pH 17586 1 pressure 1 . atm 17586 1 temperature 293 0.1 K 17586 1 stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 17586 _Software.ID 1 _Software.Name GIFA _Software.Version 4.44 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Delsuc . . 17586 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17586 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17586 _Software.ID 2 _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' . . 17586 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17586 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17586 _Software.ID 3 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17586 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17586 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17586 _Software.ID 4 _Software.Name TALOS+ _Software.Version 1.2009.0721.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17586 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'angle prediction' 17586 4 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 17586 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17586 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17586 _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 Bruker Avance . 700 . . . 17586 1 2 spectrometer_2 Bruker Avance . 500 . . . 17586 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 17586 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17586 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17586 1 3 '3D HNCA' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17586 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17586 1 5 '3D HNCACB' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17586 1 6 '3D HNCO' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17586 1 7 '3D HCACO' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17586 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 17586 _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 . . . . . . . . . 17586 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17586 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17586 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 17586 _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 1 '3D 1H-15N NOESY' . . . 17586 1 3 '3D HNCA' . . . 17586 1 6 '3D HNCO' . . . 17586 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 HA2 H 1 3.876 0.000 . 2 . . . A 1 GLY HA2 . 17586 1 2 . 1 1 1 1 GLY HA3 H 1 3.839 0.000 . 2 . . . A 1 GLY HA3 . 17586 1 3 . 1 1 1 1 GLY H H 1 8.162 0.000 . 1 . . . A 1 GLY H1 . 17586 1 4 . 1 1 1 1 GLY C C 13 174.050 0.000 . 1 . . . A 1 GLY C . 17586 1 5 . 1 1 1 1 GLY CA C 13 45.300 0.000 . 1 . . . A 1 GLY CA . 17586 1 6 . 1 1 1 1 GLY N N 15 108.520 0.000 . 1 . . . A 1 GLY N . 17586 1 7 . 1 1 2 2 HIS H H 1 8.138 0.000 . 1 . . . A 2 HIS H . 17586 1 8 . 1 1 2 2 HIS HA H 1 4.497 0.000 . 1 . . . A 2 HIS HA . 17586 1 9 . 1 1 2 2 HIS HB2 H 1 2.892 0.000 . 2 . . . A 2 HIS HB2 . 17586 1 10 . 1 1 2 2 HIS HB3 H 1 3.044 0.000 . 2 . . . A 2 HIS HB3 . 17586 1 11 . 1 1 2 2 HIS HD2 H 1 7.070 0.000 . 1 . . . A 2 HIS HD2 . 17586 1 12 . 1 1 2 2 HIS HE1 H 1 7.751 0.000 . 1 . . . A 2 HIS HE1 . 17586 1 13 . 1 1 2 2 HIS C C 13 176.630 0.000 . 1 . . . A 2 HIS C . 17586 1 14 . 1 1 2 2 HIS CA C 13 58.400 0.000 . 1 . . . A 2 HIS CA . 17586 1 15 . 1 1 2 2 HIS CB C 13 38.920 0.000 . 1 . . . A 2 HIS CB . 17586 1 16 . 1 1 2 2 HIS N N 15 120.360 0.000 . 1 . . . A 2 HIS N . 17586 1 17 . 1 1 3 3 GLY H H 1 8.381 0.000 . 1 . . . A 3 GLY H . 17586 1 18 . 1 1 3 3 GLY HA2 H 1 3.842 0.000 . 2 . . . A 3 GLY HA2 . 17586 1 19 . 1 1 3 3 GLY HA3 H 1 3.929 0.000 . 2 . . . A 3 GLY HA3 . 17586 1 20 . 1 1 3 3 GLY C C 13 174.190 0.000 . 1 . . . A 3 GLY C . 17586 1 21 . 1 1 3 3 GLY CA C 13 45.430 0.000 . 1 . . . A 3 GLY CA . 17586 1 22 . 1 1 3 3 GLY N N 15 111.160 0.000 . 1 . . . A 3 GLY N . 17586 1 23 . 1 1 4 4 SER H H 1 8.162 0.000 . 1 . . . A 4 SER H . 17586 1 24 . 1 1 4 4 SER HA H 1 4.429 0.000 . 1 . . . A 4 SER HA . 17586 1 25 . 1 1 4 4 SER HB2 H 1 3.839 0.000 . 2 . . . A 4 SER HB2 . 17586 1 26 . 1 1 4 4 SER HB3 H 1 3.871 0.000 . 2 . . . A 4 SER HB3 . 17586 1 27 . 1 1 4 4 SER C C 13 174.350 0.000 . 1 . . . A 4 SER C . 17586 1 28 . 1 1 4 4 SER CA C 13 58.470 0.000 . 1 . . . A 4 SER CA . 17586 1 29 . 1 1 4 4 SER CB C 13 64.350 0.000 . 1 . . . A 4 SER CB . 17586 1 30 . 1 1 4 4 SER N N 15 115.850 0.000 . 1 . . . A 4 SER N . 17586 1 31 . 1 1 5 5 ALA H H 1 8.420 0.000 . 1 . . . A 5 ALA H . 17586 1 32 . 1 1 5 5 ALA HA H 1 4.395 0.000 . 1 . . . A 5 ALA HA . 17586 1 33 . 1 1 5 5 ALA HB1 H 1 1.412 0.000 . . . . . A 5 ALA HB1 . 17586 1 34 . 1 1 5 5 ALA HB2 H 1 1.412 0.000 . . . . . A 5 ALA HB2 . 17586 1 35 . 1 1 5 5 ALA HB3 H 1 1.412 0.000 . . . . . A 5 ALA HB3 . 17586 1 36 . 1 1 5 5 ALA C C 13 178.020 0.000 . 1 . . . A 5 ALA C . 17586 1 37 . 1 1 5 5 ALA CA C 13 52.770 0.000 . 1 . . . A 5 ALA CA . 17586 1 38 . 1 1 5 5 ALA CB C 13 19.700 0.000 . 1 . . . A 5 ALA CB . 17586 1 39 . 1 1 5 5 ALA N N 15 125.930 0.000 . 1 . . . A 5 ALA N . 17586 1 40 . 1 1 6 6 GLY H H 1 8.326 0.000 . 1 . . . A 6 GLY H . 17586 1 41 . 1 1 6 6 GLY HA2 H 1 4.004 0.000 . 2 . . . A 6 GLY HA2 . 17586 1 42 . 1 1 6 6 GLY HA3 H 1 4.032 0.000 . 2 . . . A 6 GLY HA3 . 17586 1 43 . 1 1 6 6 GLY C C 13 173.970 0.000 . 1 . . . A 6 GLY C . 17586 1 44 . 1 1 6 6 GLY CA C 13 45.330 0.000 . 1 . . . A 6 GLY CA . 17586 1 45 . 1 1 6 6 GLY N N 15 108.290 0.000 . 1 . . . A 6 GLY N . 17586 1 46 . 1 1 7 7 THR H H 1 8.334 0.000 . 1 . . . A 7 THR H . 17586 1 47 . 1 1 7 7 THR HA H 1 4.597 0.000 . 1 . . . A 7 THR HA . 17586 1 48 . 1 1 7 7 THR HB H 1 4.242 0.000 . 1 . . . A 7 THR HB . 17586 1 49 . 1 1 7 7 THR HG21 H 1 1.287 0.000 . . . . . A 7 THR HG21 . 17586 1 50 . 1 1 7 7 THR HG22 H 1 1.287 0.000 . . . . . A 7 THR HG22 . 17586 1 51 . 1 1 7 7 THR HG23 H 1 1.287 0.000 . . . . . A 7 THR HG23 . 17586 1 52 . 1 1 7 7 THR C C 13 174.030 0.000 . 1 . . . A 7 THR C . 17586 1 53 . 1 1 7 7 THR CA C 13 62.590 0.000 . 1 . . . A 7 THR CA . 17586 1 54 . 1 1 7 7 THR CB C 13 70.960 0.000 . 1 . . . A 7 THR CB . 17586 1 55 . 1 1 7 7 THR N N 15 116.430 0.000 . 1 . . . A 7 THR N . 17586 1 56 . 1 1 8 8 SER H H 1 8.694 0.000 . 1 . . . A 8 SER H . 17586 1 57 . 1 1 8 8 SER HA H 1 4.562 0.000 . 1 . . . A 8 SER HA . 17586 1 58 . 1 1 8 8 SER HB2 H 1 3.327 0.000 . 2 . . . A 8 SER HB2 . 17586 1 59 . 1 1 8 8 SER HB3 H 1 3.554 0.000 . 2 . . . A 8 SER HB3 . 17586 1 60 . 1 1 8 8 SER C C 13 172.130 0.000 . 1 . . . A 8 SER C . 17586 1 61 . 1 1 8 8 SER CA C 13 57.500 0.000 . 1 . . . A 8 SER CA . 17586 1 62 . 1 1 8 8 SER CB C 13 65.640 0.000 . 1 . . . A 8 SER CB . 17586 1 63 . 1 1 8 8 SER N N 15 119.480 0.000 . 1 . . . A 8 SER N . 17586 1 64 . 1 1 9 9 VAL H H 1 8.185 0.000 . 1 . . . A 9 VAL H . 17586 1 65 . 1 1 9 9 VAL HA H 1 4.508 0.000 . 1 . . . A 9 VAL HA . 17586 1 66 . 1 1 9 9 VAL HB H 1 0.848 0.000 . 1 . . . A 9 VAL HB . 17586 1 67 . 1 1 9 9 VAL HG11 H 1 0.401 0.000 . . . . . A 9 VAL HG11 . 17586 1 68 . 1 1 9 9 VAL HG12 H 1 0.401 0.000 . . . . . A 9 VAL HG12 . 17586 1 69 . 1 1 9 9 VAL HG13 H 1 0.401 0.000 . . . . . A 9 VAL HG13 . 17586 1 70 . 1 1 9 9 VAL HG21 H 1 -0.140 0.000 . . . . . A 9 VAL HG21 . 17586 1 71 . 1 1 9 9 VAL HG22 H 1 -0.140 0.000 . . . . . A 9 VAL HG22 . 17586 1 72 . 1 1 9 9 VAL HG23 H 1 -0.140 0.000 . . . . . A 9 VAL HG23 . 17586 1 73 . 1 1 9 9 VAL C C 13 174.630 0.000 . 1 . . . A 9 VAL C . 17586 1 74 . 1 1 9 9 VAL CA C 13 61.190 0.000 . 1 . . . A 9 VAL CA . 17586 1 75 . 1 1 9 9 VAL CB C 13 33.740 0.000 . 1 . . . A 9 VAL CB . 17586 1 76 . 1 1 9 9 VAL N N 15 122.410 0.000 . 1 . . . A 9 VAL N . 17586 1 77 . 1 1 10 10 THR H H 1 9.139 0.000 . 1 . . . A 10 THR H . 17586 1 78 . 1 1 10 10 THR HA H 1 4.703 0.000 . 1 . . . A 10 THR HA . 17586 1 79 . 1 1 10 10 THR HB H 1 3.813 0.000 . 1 . . . A 10 THR HB . 17586 1 80 . 1 1 10 10 THR HG21 H 1 0.968 0.000 . . . . . A 10 THR HG21 . 17586 1 81 . 1 1 10 10 THR HG22 H 1 0.968 0.000 . . . . . A 10 THR HG22 . 17586 1 82 . 1 1 10 10 THR HG23 H 1 0.968 0.000 . . . . . A 10 THR HG23 . 17586 1 83 . 1 1 10 10 THR C C 13 172.630 0.000 . 1 . . . A 10 THR C . 17586 1 84 . 1 1 10 10 THR CA C 13 61.590 0.000 . 1 . . . A 10 THR CA . 17586 1 85 . 1 1 10 10 THR CB C 13 71.230 0.000 . 1 . . . A 10 THR CB . 17586 1 86 . 1 1 10 10 THR N N 15 122.470 0.000 . 1 . . . A 10 THR N . 17586 1 87 . 1 1 11 11 LEU H H 1 9.351 0.000 . 1 . . . A 11 LEU H . 17586 1 88 . 1 1 11 11 LEU HA H 1 4.781 0.000 . 1 . . . A 11 LEU HA . 17586 1 89 . 1 1 11 11 LEU HB2 H 1 1.649 0.000 . 2 . . . A 11 LEU HB2 . 17586 1 90 . 1 1 11 11 LEU HB3 H 1 1.798 0.000 . 2 . . . A 11 LEU HB3 . 17586 1 91 . 1 1 11 11 LEU HG H 1 1.280 0.000 . 1 . . . A 11 LEU HG . 17586 1 92 . 1 1 11 11 LEU HD11 H 1 0.770 0.000 . . . . . A 11 LEU HD11 . 17586 1 93 . 1 1 11 11 LEU HD12 H 1 0.770 0.000 . . . . . A 11 LEU HD12 . 17586 1 94 . 1 1 11 11 LEU HD13 H 1 0.770 0.000 . . . . . A 11 LEU HD13 . 17586 1 95 . 1 1 11 11 LEU HD21 H 1 0.656 0.000 . . . . . A 11 LEU HD21 . 17586 1 96 . 1 1 11 11 LEU HD22 H 1 0.656 0.000 . . . . . A 11 LEU HD22 . 17586 1 97 . 1 1 11 11 LEU HD23 H 1 0.656 0.000 . . . . . A 11 LEU HD23 . 17586 1 98 . 1 1 11 11 LEU C C 13 175.260 0.000 . 1 . . . A 11 LEU C . 17586 1 99 . 1 1 11 11 LEU CA C 13 52.970 0.000 . 1 . . . A 11 LEU CA . 17586 1 100 . 1 1 11 11 LEU CB C 13 41.990 0.000 . 1 . . . A 11 LEU CB . 17586 1 101 . 1 1 11 11 LEU N N 15 124.580 0.000 . 1 . . . A 11 LEU N . 17586 1 102 . 1 1 12 12 GLN H H 1 9.218 0.000 . 1 . . . A 12 GLN H . 17586 1 103 . 1 1 12 12 GLN HA H 1 4.817 0.000 . 1 . . . A 12 GLN HA . 17586 1 104 . 1 1 12 12 GLN HB2 H 1 1.980 0.000 . 2 . . . A 12 GLN HB2 . 17586 1 105 . 1 1 12 12 GLN HB3 H 1 2.064 0.000 . 2 . . . A 12 GLN HB3 . 17586 1 106 . 1 1 12 12 GLN HG2 H 1 2.132 0.000 . 2 . . . A 12 GLN HG2 . 17586 1 107 . 1 1 12 12 GLN HG3 H 1 2.185 0.000 . 2 . . . A 12 GLN HG3 . 17586 1 108 . 1 1 12 12 GLN HE21 H 1 6.808 0.000 . 2 . . . A 12 GLN HE21 . 17586 1 109 . 1 1 12 12 GLN HE22 H 1 7.322 0.000 . 2 . . . A 12 GLN HE22 . 17586 1 110 . 1 1 12 12 GLN C C 13 175.080 0.000 . 1 . . . A 12 GLN C . 17586 1 111 . 1 1 12 12 GLN CA C 13 54.350 0.000 . 1 . . . A 12 GLN CA . 17586 1 112 . 1 1 12 12 GLN CB C 13 30.740 0.000 . 1 . . . A 12 GLN CB . 17586 1 113 . 1 1 12 12 GLN N N 15 123.170 0.000 . 1 . . . A 12 GLN N . 17586 1 114 . 1 1 12 12 GLN NE2 N 15 111.160 0.000 . 1 . . . A 12 GLN NE2 . 17586 1 115 . 1 1 13 13 LEU H H 1 8.302 0.000 . 1 . . . A 13 LEU H . 17586 1 116 . 1 1 13 13 LEU HA H 1 4.630 0.000 . 1 . . . A 13 LEU HA . 17586 1 117 . 1 1 13 13 LEU HB2 H 1 1.603 0.000 . 2 . . . A 13 LEU HB2 . 17586 1 118 . 1 1 13 13 LEU HB3 H 1 2.125 0.000 . 2 . . . A 13 LEU HB3 . 17586 1 119 . 1 1 13 13 LEU HG H 1 1.390 0.000 . 1 . . . A 13 LEU HG . 17586 1 120 . 1 1 13 13 LEU HD11 H 1 0.840 0.000 . . . . . A 13 LEU HD11 . 17586 1 121 . 1 1 13 13 LEU HD12 H 1 0.840 0.000 . . . . . A 13 LEU HD12 . 17586 1 122 . 1 1 13 13 LEU HD13 H 1 0.840 0.000 . . . . . A 13 LEU HD13 . 17586 1 123 . 1 1 13 13 LEU HD21 H 1 0.727 0.000 . . . . . A 13 LEU HD21 . 17586 1 124 . 1 1 13 13 LEU HD22 H 1 0.727 0.000 . . . . . A 13 LEU HD22 . 17586 1 125 . 1 1 13 13 LEU HD23 H 1 0.727 0.000 . . . . . A 13 LEU HD23 . 17586 1 126 . 1 1 13 13 LEU C C 13 176.360 0.000 . 1 . . . A 13 LEU C . 17586 1 127 . 1 1 13 13 LEU CA C 13 55.590 0.000 . 1 . . . A 13 LEU CA . 17586 1 128 . 1 1 13 13 LEU CB C 13 43.630 0.000 . 1 . . . A 13 LEU CB . 17586 1 129 . 1 1 13 13 LEU N N 15 127.920 0.000 . 1 . . . A 13 LEU N . 17586 1 130 . 1 1 14 14 ASP H H 1 9.249 0.000 . 1 . . . A 14 ASP H . 17586 1 131 . 1 1 14 14 ASP HA H 1 5.196 0.000 . 1 . . . A 14 ASP HA . 17586 1 132 . 1 1 14 14 ASP HB2 H 1 2.216 0.000 . 2 . . . A 14 ASP HB2 . 17586 1 133 . 1 1 14 14 ASP HB3 H 1 2.857 0.000 . 2 . . . A 14 ASP HB3 . 17586 1 134 . 1 1 14 14 ASP C C 13 175.440 0.000 . 1 . . . A 14 ASP C . 17586 1 135 . 1 1 14 14 ASP CA C 13 53.710 0.000 . 1 . . . A 14 ASP CA . 17586 1 136 . 1 1 14 14 ASP CB C 13 40.980 0.000 . 1 . . . A 14 ASP CB . 17586 1 137 . 1 1 14 14 ASP N N 15 130.730 0.000 . 1 . . . A 14 ASP N . 17586 1 138 . 1 1 15 15 ASP H H 1 8.060 0.000 . 1 . . . A 15 ASP H . 17586 1 139 . 1 1 15 15 ASP HA H 1 4.808 0.000 . 1 . . . A 15 ASP HA . 17586 1 140 . 1 1 15 15 ASP HB2 H 1 2.550 0.000 . 2 . . . A 15 ASP HB2 . 17586 1 141 . 1 1 15 15 ASP HB3 H 1 3.126 0.000 . 2 . . . A 15 ASP HB3 . 17586 1 142 . 1 1 15 15 ASP C C 13 177.410 0.000 . 1 . . . A 15 ASP C . 17586 1 143 . 1 1 15 15 ASP CA C 13 53.170 0.000 . 1 . . . A 15 ASP CA . 17586 1 144 . 1 1 15 15 ASP CB C 13 42.060 0.000 . 1 . . . A 15 ASP CB . 17586 1 145 . 1 1 15 15 ASP N N 15 119.540 0.000 . 1 . . . A 15 ASP N . 17586 1 146 . 1 1 16 16 GLY H H 1 8.772 0.000 . 1 . . . A 16 GLY H . 17586 1 147 . 1 1 16 16 GLY HA2 H 1 3.717 0.000 . 2 . . . A 16 GLY HA2 . 17586 1 148 . 1 1 16 16 GLY HA3 H 1 4.393 0.000 . 2 . . . A 16 GLY HA3 . 17586 1 149 . 1 1 16 16 GLY C C 13 175.280 0.000 . 1 . . . A 16 GLY C . 17586 1 150 . 1 1 16 16 GLY CA C 13 45.360 0.000 . 1 . . . A 16 GLY CA . 17586 1 151 . 1 1 16 16 GLY N N 15 110.630 0.000 . 1 . . . A 16 GLY N . 17586 1 152 . 1 1 17 17 SER H H 1 8.623 0.000 . 1 . . . A 17 SER H . 17586 1 153 . 1 1 17 17 SER HA H 1 4.268 0.000 . 1 . . . A 17 SER HA . 17586 1 154 . 1 1 17 17 SER HB2 H 1 3.943 0.000 . 2 . . . A 17 SER HB2 . 17586 1 155 . 1 1 17 17 SER HB3 H 1 4.015 0.000 . 2 . . . A 17 SER HB3 . 17586 1 156 . 1 1 17 17 SER C C 13 176.990 0.000 . 1 . . . A 17 SER C . 17586 1 157 . 1 1 17 17 SER CA C 13 60.650 0.000 . 1 . . . A 17 SER CA . 17586 1 158 . 1 1 17 17 SER CB C 13 64.690 0.000 . 1 . . . A 17 SER CB . 17586 1 159 . 1 1 17 17 SER N N 15 117.250 0.000 . 1 . . . A 17 SER N . 17586 1 160 . 1 1 18 18 GLY H H 1 9.233 0.000 . 1 . . . A 18 GLY H . 17586 1 161 . 1 1 18 18 GLY HA2 H 1 3.859 0.000 . 2 . . . A 18 GLY HA2 . 17586 1 162 . 1 1 18 18 GLY HA3 H 1 4.143 0.000 . 2 . . . A 18 GLY HA3 . 17586 1 163 . 1 1 18 18 GLY C C 13 174.650 0.000 . 1 . . . A 18 GLY C . 17586 1 164 . 1 1 18 18 GLY CA C 13 46.070 0.000 . 1 . . . A 18 GLY CA . 17586 1 165 . 1 1 18 18 GLY N N 15 113.090 0.000 . 1 . . . A 18 GLY N . 17586 1 166 . 1 1 19 19 ARG H H 1 8.068 0.000 . 1 . . . A 19 ARG H . 17586 1 167 . 1 1 19 19 ARG HA H 1 4.347 0.000 . 1 . . . A 19 ARG HA . 17586 1 168 . 1 1 19 19 ARG HB2 H 1 2.072 0.000 . 2 . . . A 19 ARG HB2 . 17586 1 169 . 1 1 19 19 ARG HB3 H 1 1.902 0.000 . 2 . . . A 19 ARG HB3 . 17586 1 170 . 1 1 19 19 ARG HG2 H 1 1.776 0.000 . 2 . . . A 19 ARG HG2 . 17586 1 171 . 1 1 19 19 ARG HG3 H 1 1.820 0.000 . 2 . . . A 19 ARG HG3 . 17586 1 172 . 1 1 19 19 ARG HD2 H 1 3.365 0.000 . 2 . . . A 19 ARG HD2 . 17586 1 173 . 1 1 19 19 ARG HD3 H 1 3.405 0.000 . 2 . . . A 19 ARG HD3 . 17586 1 174 . 1 1 19 19 ARG C C 13 176.340 0.000 . 1 . . . A 19 ARG C . 17586 1 175 . 1 1 19 19 ARG CA C 13 58.600 0.000 . 1 . . . A 19 ARG CA . 17586 1 176 . 1 1 19 19 ARG CB C 13 32.170 0.000 . 1 . . . A 19 ARG CB . 17586 1 177 . 1 1 19 19 ARG N N 15 120.770 0.000 . 1 . . . A 19 ARG N . 17586 1 178 . 1 1 20 20 THR H H 1 8.302 0.000 . 1 . . . A 20 THR H . 17586 1 179 . 1 1 20 20 THR HA H 1 5.403 0.000 . 1 . . . A 20 THR HA . 17586 1 180 . 1 1 20 20 THR HB H 1 3.927 0.000 . 1 . . . A 20 THR HB . 17586 1 181 . 1 1 20 20 THR HG21 H 1 1.137 0.000 . . . . . A 20 THR HG21 . 17586 1 182 . 1 1 20 20 THR HG22 H 1 1.137 0.000 . . . . . A 20 THR HG22 . 17586 1 183 . 1 1 20 20 THR HG23 H 1 1.137 0.000 . . . . . A 20 THR HG23 . 17586 1 184 . 1 1 20 20 THR C C 13 173.320 0.000 . 1 . . . A 20 THR C . 17586 1 185 . 1 1 20 20 THR CA C 13 59.510 0.000 . 1 . . . A 20 THR CA . 17586 1 186 . 1 1 20 20 THR CB C 13 73.760 0.000 . 1 . . . A 20 THR CB . 17586 1 187 . 1 1 20 20 THR N N 15 113.270 0.000 . 1 . . . A 20 THR N . 17586 1 188 . 1 1 21 21 TYR H H 1 8.459 0.000 . 1 . . . A 21 TYR H . 17586 1 189 . 1 1 21 21 TYR HA H 1 4.342 0.000 . 1 . . . A 21 TYR HA . 17586 1 190 . 1 1 21 21 TYR HB2 H 1 1.412 0.000 . 2 . . . A 21 TYR HB2 . 17586 1 191 . 1 1 21 21 TYR HB3 H 1 1.671 0.000 . 2 . . . A 21 TYR HB3 . 17586 1 192 . 1 1 21 21 TYR HD1 H 1 6.685 0.000 . 3 . . . A 21 TYR HD1 . 17586 1 193 . 1 1 21 21 TYR HD2 H 1 6.685 0.000 . 3 . . . A 21 TYR HD2 . 17586 1 194 . 1 1 21 21 TYR HE1 H 1 6.630 0.000 . 3 . . . A 21 TYR HE1 . 17586 1 195 . 1 1 21 21 TYR HE2 H 1 6.630 0.000 . 3 . . . A 21 TYR HE2 . 17586 1 196 . 1 1 21 21 TYR C C 13 172.910 0.000 . 1 . . . A 21 TYR C . 17586 1 197 . 1 1 21 21 TYR CA C 13 57.430 0.000 . 1 . . . A 21 TYR CA . 17586 1 198 . 1 1 21 21 TYR CB C 13 41.100 0.000 . 1 . . . A 21 TYR CB . 17586 1 199 . 1 1 21 21 TYR N N 15 121.300 0.000 . 1 . . . A 21 TYR N . 17586 1 200 . 1 1 22 22 GLN H H 1 7.849 0.000 . 1 . . . A 22 GLN H . 17586 1 201 . 1 1 22 22 GLN HA H 1 4.682 0.000 . 1 . . . A 22 GLN HA . 17586 1 202 . 1 1 22 22 GLN HB2 H 1 1.603 0.000 . 2 . . . A 22 GLN HB2 . 17586 1 203 . 1 1 22 22 GLN HB3 H 1 1.640 0.000 . 2 . . . A 22 GLN HB3 . 17586 1 204 . 1 1 22 22 GLN HG2 H 1 2.095 0.000 . 2 . . . A 22 GLN HG2 . 17586 1 205 . 1 1 22 22 GLN HG3 H 1 2.129 0.000 . 2 . . . A 22 GLN HG3 . 17586 1 206 . 1 1 22 22 GLN HE21 H 1 6.779 0.000 . 2 . . . A 22 GLN HE21 . 17586 1 207 . 1 1 22 22 GLN HE22 H 1 7.316 0.000 . 2 . . . A 22 GLN HE22 . 17586 1 208 . 1 1 22 22 GLN C C 13 174.480 0.000 . 1 . . . A 22 GLN C . 17586 1 209 . 1 1 22 22 GLN CA C 13 53.980 0.000 . 1 . . . A 22 GLN CA . 17586 1 210 . 1 1 22 22 GLN CB C 13 29.790 0.000 . 1 . . . A 22 GLN CB . 17586 1 211 . 1 1 22 22 GLN N N 15 129.500 0.000 . 1 . . . A 22 GLN N . 17586 1 212 . 1 1 22 22 GLN NE2 N 15 111.800 0.000 . 1 . . . A 22 GLN NE2 . 17586 1 213 . 1 1 23 23 LEU H H 1 7.856 0.000 . 1 . . . A 23 LEU H . 17586 1 214 . 1 1 23 23 LEU HA H 1 3.696 0.000 . 1 . . . A 23 LEU HA . 17586 1 215 . 1 1 23 23 LEU HB2 H 1 0.892 0.000 . 2 . . . A 23 LEU HB2 . 17586 1 216 . 1 1 23 23 LEU HB3 H 1 0.976 0.000 . 2 . . . A 23 LEU HB3 . 17586 1 217 . 1 1 23 23 LEU HG H 1 1.280 0.000 . 1 . . . A 23 LEU HG . 17586 1 218 . 1 1 23 23 LEU HD11 H 1 0.713 0.000 . . . . . A 23 LEU HD11 . 17586 1 219 . 1 1 23 23 LEU HD12 H 1 0.713 0.000 . . . . . A 23 LEU HD12 . 17586 1 220 . 1 1 23 23 LEU HD13 H 1 0.713 0.000 . . . . . A 23 LEU HD13 . 17586 1 221 . 1 1 23 23 LEU HD21 H 1 0.410 0.000 . . . . . A 23 LEU HD21 . 17586 1 222 . 1 1 23 23 LEU HD22 H 1 0.410 0.000 . . . . . A 23 LEU HD22 . 17586 1 223 . 1 1 23 23 LEU HD23 H 1 0.410 0.000 . . . . . A 23 LEU HD23 . 17586 1 224 . 1 1 23 23 LEU C C 13 177.330 0.000 . 1 . . . A 23 LEU C . 17586 1 225 . 1 1 23 23 LEU CA C 13 56.260 0.000 . 1 . . . A 23 LEU CA . 17586 1 226 . 1 1 23 23 LEU CB C 13 40.900 0.000 . 1 . . . A 23 LEU CB . 17586 1 227 . 1 1 23 23 LEU N N 15 120.010 0.000 . 1 . . . A 23 LEU N . 17586 1 228 . 1 1 24 24 ARG H H 1 8.662 0.000 . 1 . . . A 24 ARG H . 17586 1 229 . 1 1 24 24 ARG HA H 1 4.675 0.000 . 1 . . . A 24 ARG HA . 17586 1 230 . 1 1 24 24 ARG HB2 H 1 1.889 0.000 . 2 . . . A 24 ARG HB2 . 17586 1 231 . 1 1 24 24 ARG HB3 H 1 1.957 0.000 . 2 . . . A 24 ARG HB3 . 17586 1 232 . 1 1 24 24 ARG HG2 H 1 1.674 0.000 . 2 . . . A 24 ARG HG2 . 17586 1 233 . 1 1 24 24 ARG HG3 H 1 1.745 0.000 . 2 . . . A 24 ARG HG3 . 17586 1 234 . 1 1 24 24 ARG HD2 H 1 3.222 0.000 . 2 . . . A 24 ARG HD2 . 17586 1 235 . 1 1 24 24 ARG HD3 H 1 3.250 0.000 . 2 . . . A 24 ARG HD3 . 17586 1 236 . 1 1 24 24 ARG C C 13 176.590 0.000 . 1 . . . A 24 ARG C . 17586 1 237 . 1 1 24 24 ARG CA C 13 53.910 0.000 . 1 . . . A 24 ARG CA . 17586 1 238 . 1 1 24 24 ARG CB C 13 32.170 0.000 . 1 . . . A 24 ARG CB . 17586 1 239 . 1 1 24 24 ARG N N 15 121.880 0.000 . 1 . . . A 24 ARG N . 17586 1 240 . 1 1 25 25 GLU H H 1 8.944 0.000 . 1 . . . A 25 GLU H . 17586 1 241 . 1 1 25 25 GLU HA H 1 4.281 0.000 . 1 . . . A 25 GLU HA . 17586 1 242 . 1 1 25 25 GLU HB2 H 1 1.924 0.000 . 2 . . . A 25 GLU HB2 . 17586 1 243 . 1 1 25 25 GLU HB3 H 1 1.981 0.000 . 2 . . . A 25 GLU HB3 . 17586 1 244 . 1 1 25 25 GLU HG2 H 1 2.222 0.000 . 2 . . . A 25 GLU HG2 . 17586 1 245 . 1 1 25 25 GLU HG3 H 1 2.256 0.000 . 2 . . . A 25 GLU HG3 . 17586 1 246 . 1 1 25 25 GLU C C 13 177.230 0.000 . 1 . . . A 25 GLU C . 17586 1 247 . 1 1 25 25 GLU CA C 13 58.670 0.000 . 1 . . . A 25 GLU CA . 17586 1 248 . 1 1 25 25 GLU CB C 13 29.580 0.000 . 1 . . . A 25 GLU CB . 17586 1 249 . 1 1 25 25 GLU N N 15 121.940 0.000 . 1 . . . A 25 GLU N . 17586 1 250 . 1 1 26 26 GLY H H 1 9.405 0.000 . 1 . . . A 26 GLY H . 17586 1 251 . 1 1 26 26 GLY HA2 H 1 3.707 0.000 . 2 . . . A 26 GLY HA2 . 17586 1 252 . 1 1 26 26 GLY HA3 H 1 4.474 0.000 . 2 . . . A 26 GLY HA3 . 17586 1 253 . 1 1 26 26 GLY C C 13 173.510 0.000 . 1 . . . A 26 GLY C . 17586 1 254 . 1 1 26 26 GLY CA C 13 44.260 0.000 . 1 . . . A 26 GLY CA . 17586 1 255 . 1 1 26 26 GLY N N 15 114.030 0.000 . 1 . . . A 26 GLY N . 17586 1 256 . 1 1 27 27 SER H H 1 8.670 0.000 . 1 . . . A 27 SER H . 17586 1 257 . 1 1 27 27 SER HA H 1 4.312 0.000 . 1 . . . A 27 SER HA . 17586 1 258 . 1 1 27 27 SER HB2 H 1 3.703 0.000 . 2 . . . A 27 SER HB2 . 17586 1 259 . 1 1 27 27 SER HB3 H 1 3.854 0.000 . 2 . . . A 27 SER HB3 . 17586 1 260 . 1 1 27 27 SER C C 13 174.940 0.000 . 1 . . . A 27 SER C . 17586 1 261 . 1 1 27 27 SER CA C 13 59.880 0.000 . 1 . . . A 27 SER CA . 17586 1 262 . 1 1 27 27 SER CB C 13 63.530 0.000 . 1 . . . A 27 SER CB . 17586 1 263 . 1 1 27 27 SER N N 15 117.020 0.000 . 1 . . . A 27 SER N . 17586 1 264 . 1 1 28 28 ASN H H 1 8.029 0.000 . 1 . . . A 28 ASN H . 17586 1 265 . 1 1 28 28 ASN HA H 1 5.124 0.000 . 1 . . . A 28 ASN HA . 17586 1 266 . 1 1 28 28 ASN HB2 H 1 2.154 0.000 . 2 . . . A 28 ASN HB2 . 17586 1 267 . 1 1 28 28 ASN HB3 H 1 3.552 0.000 . 2 . . . A 28 ASN HB3 . 17586 1 268 . 1 1 28 28 ASN HD21 H 1 7.645 0.000 . 2 . . . A 28 ASN HD21 . 17586 1 269 . 1 1 28 28 ASN HD22 H 1 8.876 0.000 . 2 . . . A 28 ASN HD22 . 17586 1 270 . 1 1 28 28 ASN C C 13 172.870 0.000 . 1 . . . A 28 ASN C . 17586 1 271 . 1 1 28 28 ASN CA C 13 52.840 0.000 . 1 . . . A 28 ASN CA . 17586 1 272 . 1 1 28 28 ASN CB C 13 41.720 0.000 . 1 . . . A 28 ASN CB . 17586 1 273 . 1 1 28 28 ASN N N 15 124.290 0.000 . 1 . . . A 28 ASN N . 17586 1 274 . 1 1 28 28 ASN ND2 N 15 118.000 0.000 . 1 . . . A 28 ASN ND2 . 17586 1 275 . 1 1 29 29 ILE H H 1 9.742 0.000 . 1 . . . A 29 ILE H . 17586 1 276 . 1 1 29 29 ILE HA H 1 5.003 0.000 . 1 . . . A 29 ILE HA . 17586 1 277 . 1 1 29 29 ILE HB H 1 2.207 0.000 . 1 . . . A 29 ILE HB . 17586 1 278 . 1 1 29 29 ILE HG12 H 1 1.580 0.000 . 2 . . . A 29 ILE HG12 . 17586 1 279 . 1 1 29 29 ILE HG13 H 1 1.531 0.000 . 2 . . . A 29 ILE HG13 . 17586 1 280 . 1 1 29 29 ILE HG21 H 1 0.779 0.000 . . . . . A 29 ILE HG21 . 17586 1 281 . 1 1 29 29 ILE HG22 H 1 0.779 0.000 . . . . . A 29 ILE HG22 . 17586 1 282 . 1 1 29 29 ILE HG23 H 1 0.779 0.000 . . . . . A 29 ILE HG23 . 17586 1 283 . 1 1 29 29 ILE HD11 H 1 0.741 0.000 . . . . . A 29 ILE HD11 . 17586 1 284 . 1 1 29 29 ILE HD12 H 1 0.741 0.000 . . . . . A 29 ILE HD12 . 17586 1 285 . 1 1 29 29 ILE HD13 H 1 0.741 0.000 . . . . . A 29 ILE HD13 . 17586 1 286 . 1 1 29 29 ILE C C 13 175.650 0.000 . 1 . . . A 29 ILE C . 17586 1 287 . 1 1 29 29 ILE CA C 13 59.310 0.000 . 1 . . . A 29 ILE CA . 17586 1 288 . 1 1 29 29 ILE CB C 13 37.490 0.000 . 1 . . . A 29 ILE CB . 17586 1 289 . 1 1 29 29 ILE N N 15 125.750 0.000 . 1 . . . A 29 ILE N . 17586 1 290 . 1 1 30 30 ILE H H 1 9.053 0.000 . 1 . . . A 30 ILE H . 17586 1 291 . 1 1 30 30 ILE HA H 1 5.018 0.000 . 1 . . . A 30 ILE HA . 17586 1 292 . 1 1 30 30 ILE HB H 1 1.780 0.000 . 1 . . . A 30 ILE HB . 17586 1 293 . 1 1 30 30 ILE HG12 H 1 1.282 0.000 . 2 . . . A 30 ILE HG12 . 17586 1 294 . 1 1 30 30 ILE HG13 H 1 1.535 0.000 . 2 . . . A 30 ILE HG13 . 17586 1 295 . 1 1 30 30 ILE HG21 H 1 0.772 0.000 . . . . . A 30 ILE HG21 . 17586 1 296 . 1 1 30 30 ILE HG22 H 1 0.772 0.000 . . . . . A 30 ILE HG22 . 17586 1 297 . 1 1 30 30 ILE HG23 H 1 0.772 0.000 . . . . . A 30 ILE HG23 . 17586 1 298 . 1 1 30 30 ILE HD11 H 1 0.723 0.000 . . . . . A 30 ILE HD11 . 17586 1 299 . 1 1 30 30 ILE HD12 H 1 0.723 0.000 . . . . . A 30 ILE HD12 . 17586 1 300 . 1 1 30 30 ILE HD13 H 1 0.723 0.000 . . . . . A 30 ILE HD13 . 17586 1 301 . 1 1 30 30 ILE C C 13 175.810 0.000 . 1 . . . A 30 ILE C . 17586 1 302 . 1 1 30 30 ILE CA C 13 59.170 0.000 . 1 . . . A 30 ILE CA . 17586 1 303 . 1 1 30 30 ILE CB C 13 39.260 0.000 . 1 . . . A 30 ILE CB . 17586 1 304 . 1 1 30 30 ILE N N 15 129.090 0.000 . 1 . . . A 30 ILE N . 17586 1 305 . 1 1 31 31 GLY H H 1 7.966 0.000 . 1 . . . A 31 GLY H . 17586 1 306 . 1 1 31 31 GLY HA2 H 1 4.026 0.000 . 2 . . . A 31 GLY HA2 . 17586 1 307 . 1 1 31 31 GLY HA3 H 1 4.320 0.000 . 2 . . . A 31 GLY HA3 . 17586 1 308 . 1 1 31 31 GLY C C 13 170.600 0.000 . 1 . . . A 31 GLY C . 17586 1 309 . 1 1 31 31 GLY CA C 13 46.000 0.000 . 1 . . . A 31 GLY CA . 17586 1 310 . 1 1 31 31 GLY N N 15 112.860 0.000 . 1 . . . A 31 GLY N . 17586 1 311 . 1 1 32 32 ARG H H 1 8.514 0.000 . 1 . . . A 32 ARG H . 17586 1 312 . 1 1 32 32 ARG HA H 1 5.098 0.000 . 1 . . . A 32 ARG HA . 17586 1 313 . 1 1 32 32 ARG HB2 H 1 1.549 0.000 . 2 . . . A 32 ARG HB2 . 17586 1 314 . 1 1 32 32 ARG HB3 H 1 1.789 0.000 . 2 . . . A 32 ARG HB3 . 17586 1 315 . 1 1 32 32 ARG HG2 H 1 1.396 0.000 . 2 . . . A 32 ARG HG2 . 17586 1 316 . 1 1 32 32 ARG HG3 H 1 1.483 0.000 . 2 . . . A 32 ARG HG3 . 17586 1 317 . 1 1 32 32 ARG HD2 H 1 3.122 0.000 . 2 . . . A 32 ARG HD2 . 17586 1 318 . 1 1 32 32 ARG HD3 H 1 3.446 0.000 . 2 . . . A 32 ARG HD3 . 17586 1 319 . 1 1 32 32 ARG C C 13 177.850 0.000 . 1 . . . A 32 ARG C . 17586 1 320 . 1 1 32 32 ARG CA C 13 55.860 0.000 . 1 . . . A 32 ARG CA . 17586 1 321 . 1 1 32 32 ARG CB C 13 32.310 0.000 . 1 . . . A 32 ARG CB . 17586 1 322 . 1 1 32 32 ARG N N 15 120.770 0.000 . 1 . . . A 32 ARG N . 17586 1 323 . 1 1 33 33 GLY H H 1 9.038 0.000 . 1 . . . A 33 GLY H . 17586 1 324 . 1 1 33 33 GLY HA2 H 1 3.876 0.000 . 2 . . . A 33 GLY HA2 . 17586 1 325 . 1 1 33 33 GLY HA3 H 1 4.191 0.000 . 2 . . . A 33 GLY HA3 . 17586 1 326 . 1 1 33 33 GLY C C 13 173.900 0.000 . 1 . . . A 33 GLY C . 17586 1 327 . 1 1 33 33 GLY CA C 13 44.790 0.000 . 1 . . . A 33 GLY CA . 17586 1 328 . 1 1 33 33 GLY N N 15 110.630 0.000 . 1 . . . A 33 GLY N . 17586 1 329 . 1 1 34 34 GLN H H 1 8.584 0.000 . 1 . . . A 34 GLN H . 17586 1 330 . 1 1 34 34 GLN HA H 1 4.804 0.000 . 1 . . . A 34 GLN HA . 17586 1 331 . 1 1 34 34 GLN HB2 H 1 2.072 0.000 . 2 . . . A 34 GLN HB2 . 17586 1 332 . 1 1 34 34 GLN HB3 H 1 2.103 0.000 . 2 . . . A 34 GLN HB3 . 17586 1 333 . 1 1 34 34 GLN HG2 H 1 2.412 0.000 . 2 . . . A 34 GLN HG2 . 17586 1 334 . 1 1 34 34 GLN HG3 H 1 2.437 0.000 . 2 . . . A 34 GLN HG3 . 17586 1 335 . 1 1 34 34 GLN HE21 H 1 6.689 0.000 . 2 . . . A 34 GLN HE21 . 17586 1 336 . 1 1 34 34 GLN HE22 H 1 7.367 0.000 . 2 . . . A 34 GLN HE22 . 17586 1 337 . 1 1 34 34 GLN C C 13 176.150 0.000 . 1 . . . A 34 GLN C . 17586 1 338 . 1 1 34 34 GLN CA C 13 58.240 0.000 . 1 . . . A 34 GLN CA . 17586 1 339 . 1 1 34 34 GLN CB C 13 28.970 0.000 . 1 . . . A 34 GLN CB . 17586 1 340 . 1 1 34 34 GLN N N 15 117.840 0.000 . 1 . . . A 34 GLN N . 17586 1 341 . 1 1 34 34 GLN NE2 N 15 111.980 0.000 . 1 . . . A 34 GLN NE2 . 17586 1 342 . 1 1 35 35 ASP H H 1 8.576 0.000 . 1 . . . A 35 ASP H . 17586 1 343 . 1 1 35 35 ASP HA H 1 4.536 0.000 . 1 . . . A 35 ASP HA . 17586 1 344 . 1 1 35 35 ASP HB2 H 1 2.637 0.000 . 2 . . . A 35 ASP HB2 . 17586 1 345 . 1 1 35 35 ASP HB3 H 1 2.658 0.000 . 2 . . . A 35 ASP HB3 . 17586 1 346 . 1 1 35 35 ASP C C 13 175.660 0.000 . 1 . . . A 35 ASP C . 17586 1 347 . 1 1 35 35 ASP CA C 13 53.510 0.000 . 1 . . . A 35 ASP CA . 17586 1 348 . 1 1 35 35 ASP CB C 13 40.290 0.000 . 1 . . . A 35 ASP CB . 17586 1 349 . 1 1 35 35 ASP N N 15 115.380 0.000 . 1 . . . A 35 ASP N . 17586 1 350 . 1 1 36 36 ALA H H 1 7.238 0.000 . 1 . . . A 36 ALA H . 17586 1 351 . 1 1 36 36 ALA HA H 1 3.837 0.000 . 1 . . . A 36 ALA HA . 17586 1 352 . 1 1 36 36 ALA HB1 H 1 1.127 0.000 . . . . . A 36 ALA HB1 . 17586 1 353 . 1 1 36 36 ALA HB2 H 1 1.127 0.000 . . . . . A 36 ALA HB2 . 17586 1 354 . 1 1 36 36 ALA HB3 H 1 1.127 0.000 . . . . . A 36 ALA HB3 . 17586 1 355 . 1 1 36 36 ALA C C 13 177.270 0.000 . 1 . . . A 36 ALA C . 17586 1 356 . 1 1 36 36 ALA CA C 13 52.540 0.000 . 1 . . . A 36 ALA CA . 17586 1 357 . 1 1 36 36 ALA CB C 13 18.880 0.000 . 1 . . . A 36 ALA CB . 17586 1 358 . 1 1 36 36 ALA N N 15 122.350 0.000 . 1 . . . A 36 ALA N . 17586 1 359 . 1 1 37 37 GLN H H 1 8.115 0.000 . 1 . . . A 37 GLN H . 17586 1 360 . 1 1 37 37 GLN HA H 1 4.206 0.000 . 1 . . . A 37 GLN HA . 17586 1 361 . 1 1 37 37 GLN HB2 H 1 2.072 0.000 . 2 . . . A 37 GLN HB2 . 17586 1 362 . 1 1 37 37 GLN HB3 H 1 2.339 0.000 . 2 . . . A 37 GLN HB3 . 17586 1 363 . 1 1 37 37 GLN HG2 H 1 2.549 0.000 . 2 . . . A 37 GLN HG2 . 17586 1 364 . 1 1 37 37 GLN HG3 H 1 2.679 0.000 . 2 . . . A 37 GLN HG3 . 17586 1 365 . 1 1 37 37 GLN HE21 H 1 6.789 0.000 . 2 . . . A 37 GLN HE21 . 17586 1 366 . 1 1 37 37 GLN HE22 H 1 7.865 0.000 . 2 . . . A 37 GLN HE22 . 17586 1 367 . 1 1 37 37 GLN C C 13 175.980 0.000 . 1 . . . A 37 GLN C . 17586 1 368 . 1 1 37 37 GLN CA C 13 59.810 0.000 . 1 . . . A 37 GLN CA . 17586 1 369 . 1 1 37 37 GLN CB C 13 29.650 0.000 . 1 . . . A 37 GLN CB . 17586 1 370 . 1 1 37 37 GLN N N 15 121.940 0.000 . 1 . . . A 37 GLN N . 17586 1 371 . 1 1 37 37 GLN NE2 N 15 114.790 0.000 . 1 . . . A 37 GLN NE2 . 17586 1 372 . 1 1 38 38 PHE H H 1 7.278 0.000 . 1 . . . A 38 PHE H . 17586 1 373 . 1 1 38 38 PHE HA H 1 4.840 0.000 . 1 . . . A 38 PHE HA . 17586 1 374 . 1 1 38 38 PHE HB2 H 1 2.672 0.000 . 2 . . . A 38 PHE HB2 . 17586 1 375 . 1 1 38 38 PHE HB3 H 1 1.434 0.000 . 2 . . . A 38 PHE HB3 . 17586 1 376 . 1 1 38 38 PHE HD1 H 1 6.976 0.000 . 3 . . . A 38 PHE HD1 . 17586 1 377 . 1 1 38 38 PHE HD2 H 1 6.976 0.000 . 3 . . . A 38 PHE HD2 . 17586 1 378 . 1 1 38 38 PHE HE1 H 1 6.832 0.000 . 3 . . . A 38 PHE HE1 . 17586 1 379 . 1 1 38 38 PHE HE2 H 1 6.832 0.000 . 3 . . . A 38 PHE HE2 . 17586 1 380 . 1 1 38 38 PHE C C 13 172.370 0.000 . 1 . . . A 38 PHE C . 17586 1 381 . 1 1 38 38 PHE CA C 13 53.740 0.000 . 1 . . . A 38 PHE CA . 17586 1 382 . 1 1 38 38 PHE CB C 13 38.580 0.000 . 1 . . . A 38 PHE CB . 17586 1 383 . 1 1 38 38 PHE N N 15 118.250 0.000 . 1 . . . A 38 PHE N . 17586 1 384 . 1 1 39 39 ARG H H 1 8.654 0.000 . 1 . . . A 39 ARG H . 17586 1 385 . 1 1 39 39 ARG HA H 1 4.986 0.000 . 1 . . . A 39 ARG HA . 17586 1 386 . 1 1 39 39 ARG HB2 H 1 1.500 0.000 . 2 . . . A 39 ARG HB2 . 17586 1 387 . 1 1 39 39 ARG HB3 H 1 1.680 0.000 . 2 . . . A 39 ARG HB3 . 17586 1 388 . 1 1 39 39 ARG HG2 H 1 1.230 0.000 . 2 . . . A 39 ARG HG2 . 17586 1 389 . 1 1 39 39 ARG HG3 H 1 1.230 0.000 . 2 . . . A 39 ARG HG3 . 17586 1 390 . 1 1 39 39 ARG HD2 H 1 3.025 0.000 . 2 . . . A 39 ARG HD2 . 17586 1 391 . 1 1 39 39 ARG HD3 H 1 3.025 0.000 . 2 . . . A 39 ARG HD3 . 17586 1 392 . 1 1 39 39 ARG C C 13 175.900 0.000 . 1 . . . A 39 ARG C . 17586 1 393 . 1 1 39 39 ARG CA C 13 54.750 0.000 . 1 . . . A 39 ARG CA . 17586 1 394 . 1 1 39 39 ARG CB C 13 31.770 0.000 . 1 . . . A 39 ARG CB . 17586 1 395 . 1 1 39 39 ARG N N 15 126.630 0.000 . 1 . . . A 39 ARG N . 17586 1 396 . 1 1 40 40 LEU H H 1 8.201 0.000 . 1 . . . A 40 LEU H . 17586 1 397 . 1 1 40 40 LEU HA H 1 4.525 0.000 . 1 . . . A 40 LEU HA . 17586 1 398 . 1 1 40 40 LEU HB2 H 1 1.178 0.000 . 2 . . . A 40 LEU HB2 . 17586 1 399 . 1 1 40 40 LEU HB3 H 1 1.434 0.000 . 2 . . . A 40 LEU HB3 . 17586 1 400 . 1 1 40 40 LEU HG H 1 1.302 0.000 . 1 . . . A 40 LEU HG . 17586 1 401 . 1 1 40 40 LEU HD11 H 1 0.442 0.000 . . . . . A 40 LEU HD11 . 17586 1 402 . 1 1 40 40 LEU HD12 H 1 0.442 0.000 . . . . . A 40 LEU HD12 . 17586 1 403 . 1 1 40 40 LEU HD13 H 1 0.442 0.000 . . . . . A 40 LEU HD13 . 17586 1 404 . 1 1 40 40 LEU HD21 H 1 0.310 0.000 . . . . . A 40 LEU HD21 . 17586 1 405 . 1 1 40 40 LEU HD22 H 1 0.310 0.000 . . . . . A 40 LEU HD22 . 17586 1 406 . 1 1 40 40 LEU HD23 H 1 0.310 0.000 . . . . . A 40 LEU HD23 . 17586 1 407 . 1 1 40 40 LEU C C 13 175.380 0.000 . 1 . . . A 40 LEU C . 17586 1 408 . 1 1 40 40 LEU CA C 13 51.330 0.000 . 1 . . . A 40 LEU CA . 17586 1 409 . 1 1 40 40 LEU CB C 13 43.560 0.000 . 1 . . . A 40 LEU CB . 17586 1 410 . 1 1 40 40 LEU N N 15 127.680 0.000 . 1 . . . A 40 LEU N . 17586 1 411 . 1 1 41 41 PRO HA H 1 4.538 0.000 . 1 . . . A 41 PRO HA . 17586 1 412 . 1 1 41 41 PRO HB2 H 1 2.135 0.000 . 2 . . . A 41 PRO HB2 . 17586 1 413 . 1 1 41 41 PRO HB3 H 1 1.949 0.000 . 2 . . . A 41 PRO HB3 . 17586 1 414 . 1 1 41 41 PRO HG2 H 1 2.013 0.000 . 2 . . . A 41 PRO HG2 . 17586 1 415 . 1 1 41 41 PRO HG3 H 1 2.033 0.000 . 2 . . . A 41 PRO HG3 . 17586 1 416 . 1 1 41 41 PRO HD2 H 1 3.418 0.000 . 2 . . . A 41 PRO HD2 . 17586 1 417 . 1 1 41 41 PRO HD3 H 1 3.731 0.000 . 2 . . . A 41 PRO HD3 . 17586 1 418 . 1 1 41 41 PRO C C 13 175.450 0.000 . 1 . . . A 41 PRO C . 17586 1 419 . 1 1 41 41 PRO CA C 13 62.260 0.000 . 1 . . . A 41 PRO CA . 17586 1 420 . 1 1 41 41 PRO CB C 13 30.200 0.000 . 1 . . . A 41 PRO CB . 17586 1 421 . 1 1 42 42 ASP H H 1 6.855 0.000 . 1 . . . A 42 ASP H . 17586 1 422 . 1 1 42 42 ASP HA H 1 4.531 0.000 . 1 . . . A 42 ASP HA . 17586 1 423 . 1 1 42 42 ASP HB2 H 1 2.411 0.000 . 2 . . . A 42 ASP HB2 . 17586 1 424 . 1 1 42 42 ASP HB3 H 1 2.473 0.000 . 2 . . . A 42 ASP HB3 . 17586 1 425 . 1 1 42 42 ASP C C 13 176.910 0.000 . 1 . . . A 42 ASP C . 17586 1 426 . 1 1 42 42 ASP CA C 13 53.340 0.000 . 1 . . . A 42 ASP CA . 17586 1 427 . 1 1 42 42 ASP CB C 13 42.940 0.000 . 1 . . . A 42 ASP CB . 17586 1 428 . 1 1 42 42 ASP N N 15 122.060 0.000 . 1 . . . A 42 ASP N . 17586 1 429 . 1 1 43 43 THR H H 1 8.521 0.000 . 1 . . . A 43 THR H . 17586 1 430 . 1 1 43 43 THR HA H 1 3.912 0.000 . 1 . . . A 43 THR HA . 17586 1 431 . 1 1 43 43 THR HB H 1 4.414 0.000 . 1 . . . A 43 THR HB . 17586 1 432 . 1 1 43 43 THR HG21 H 1 1.334 0.000 . . . . . A 43 THR HG21 . 17586 1 433 . 1 1 43 43 THR HG22 H 1 1.334 0.000 . . . . . A 43 THR HG22 . 17586 1 434 . 1 1 43 43 THR HG23 H 1 1.334 0.000 . . . . . A 43 THR HG23 . 17586 1 435 . 1 1 43 43 THR C C 13 175.930 0.000 . 1 . . . A 43 THR C . 17586 1 436 . 1 1 43 43 THR CA C 13 64.400 0.000 . 1 . . . A 43 THR CA . 17586 1 437 . 1 1 43 43 THR CB C 13 69.050 0.000 . 1 . . . A 43 THR CB . 17586 1 438 . 1 1 43 43 THR N N 15 117.080 0.000 . 1 . . . A 43 THR N . 17586 1 439 . 1 1 44 44 GLY H H 1 9.304 0.000 . 1 . . . A 44 GLY H . 17586 1 440 . 1 1 44 44 GLY HA2 H 1 3.544 0.000 . 2 . . . A 44 GLY HA2 . 17586 1 441 . 1 1 44 44 GLY HA3 H 1 4.192 0.000 . 2 . . . A 44 GLY HA3 . 17586 1 442 . 1 1 44 44 GLY C C 13 173.710 0.000 . 1 . . . A 44 GLY C . 17586 1 443 . 1 1 44 44 GLY CA C 13 45.300 0.000 . 1 . . . A 44 GLY CA . 17586 1 444 . 1 1 44 44 GLY N N 15 109.870 0.000 . 1 . . . A 44 GLY N . 17586 1 445 . 1 1 45 45 VAL H H 1 7.544 0.000 . 1 . . . A 45 VAL H . 17586 1 446 . 1 1 45 45 VAL HA H 1 4.327 0.000 . 1 . . . A 45 VAL HA . 17586 1 447 . 1 1 45 45 VAL HB H 1 2.284 0.000 . 1 . . . A 45 VAL HB . 17586 1 448 . 1 1 45 45 VAL HG11 H 1 0.956 0.000 . . . . . A 45 VAL HG11 . 17586 1 449 . 1 1 45 45 VAL HG12 H 1 0.956 0.000 . . . . . A 45 VAL HG12 . 17586 1 450 . 1 1 45 45 VAL HG13 H 1 0.956 0.000 . . . . . A 45 VAL HG13 . 17586 1 451 . 1 1 45 45 VAL HG21 H 1 0.625 0.000 . . . . . A 45 VAL HG21 . 17586 1 452 . 1 1 45 45 VAL HG22 H 1 0.625 0.000 . . . . . A 45 VAL HG22 . 17586 1 453 . 1 1 45 45 VAL HG23 H 1 0.625 0.000 . . . . . A 45 VAL HG23 . 17586 1 454 . 1 1 45 45 VAL C C 13 176.390 0.000 . 1 . . . A 45 VAL C . 17586 1 455 . 1 1 45 45 VAL CA C 13 60.820 0.000 . 1 . . . A 45 VAL CA . 17586 1 456 . 1 1 45 45 VAL CB C 13 32.650 0.000 . 1 . . . A 45 VAL CB . 17586 1 457 . 1 1 45 45 VAL N N 15 122.530 0.000 . 1 . . . A 45 VAL N . 17586 1 458 . 1 1 46 46 SER H H 1 11.924 0.000 . 1 . . . A 46 SER H . 17586 1 459 . 1 1 46 46 SER HA H 1 4.642 0.000 . 1 . . . A 46 SER HA . 17586 1 460 . 1 1 46 46 SER HB2 H 1 3.498 0.000 . 2 . . . A 46 SER HB2 . 17586 1 461 . 1 1 46 46 SER HB3 H 1 4.176 0.000 . 2 . . . A 46 SER HB3 . 17586 1 462 . 1 1 46 46 SER C C 13 175.060 0.000 . 1 . . . A 46 SER C . 17586 1 463 . 1 1 46 46 SER CA C 13 61.690 0.000 . 1 . . . A 46 SER CA . 17586 1 464 . 1 1 46 46 SER CB C 13 64.620 0.000 . 1 . . . A 46 SER CB . 17586 1 465 . 1 1 46 46 SER N N 15 127.390 0.000 . 1 . . . A 46 SER N . 17586 1 466 . 1 1 47 47 ARG H H 1 9.770 0.000 . 1 . . . A 47 ARG H . 17586 1 467 . 1 1 47 47 ARG HA H 1 4.802 0.000 . 1 . . . A 47 ARG HA . 17586 1 468 . 1 1 47 47 ARG HB2 H 1 1.919 0.000 . 2 . . . A 47 ARG HB2 . 17586 1 469 . 1 1 47 47 ARG HB3 H 1 1.946 0.000 . 2 . . . A 47 ARG HB3 . 17586 1 470 . 1 1 47 47 ARG C C 13 178.040 0.000 . 1 . . . A 47 ARG C . 17586 1 471 . 1 1 47 47 ARG CA C 13 61.120 0.000 . 1 . . . A 47 ARG CA . 17586 1 472 . 1 1 47 47 ARG CB C 13 29.650 0.000 . 1 . . . A 47 ARG CB . 17586 1 473 . 1 1 47 47 ARG N N 15 125.860 0.000 . 1 . . . A 47 ARG N . 17586 1 474 . 1 1 48 48 ARG H H 1 8.334 0.000 . 1 . . . A 48 ARG H . 17586 1 475 . 1 1 48 48 ARG HA H 1 4.007 0.000 . 1 . . . A 48 ARG HA . 17586 1 476 . 1 1 48 48 ARG HB2 H 1 1.727 0.000 . 2 . . . A 48 ARG HB2 . 17586 1 477 . 1 1 48 48 ARG HB3 H 1 1.769 0.000 . 2 . . . A 48 ARG HB3 . 17586 1 478 . 1 1 48 48 ARG HG2 H 1 1.375 0.000 . 2 . . . A 48 ARG HG2 . 17586 1 479 . 1 1 48 48 ARG HG3 H 1 1.514 0.000 . 2 . . . A 48 ARG HG3 . 17586 1 480 . 1 1 48 48 ARG HD2 H 1 3.133 0.000 . 2 . . . A 48 ARG HD2 . 17586 1 481 . 1 1 48 48 ARG HD3 H 1 3.344 0.000 . 2 . . . A 48 ARG HD3 . 17586 1 482 . 1 1 48 48 ARG C C 13 172.380 0.000 . 1 . . . A 48 ARG C . 17586 1 483 . 1 1 48 48 ARG CA C 13 55.960 0.000 . 1 . . . A 48 ARG CA . 17586 1 484 . 1 1 48 48 ARG CB C 13 31.360 0.000 . 1 . . . A 48 ARG CB . 17586 1 485 . 1 1 48 48 ARG N N 15 117.660 0.000 . 1 . . . A 48 ARG N . 17586 1 486 . 1 1 49 49 HIS H H 1 8.130 0.000 . 1 . . . A 49 HIS H . 17586 1 487 . 1 1 49 49 HIS HA H 1 4.188 0.000 . 1 . . . A 49 HIS HA . 17586 1 488 . 1 1 49 49 HIS HB2 H 1 3.114 0.000 . 2 . . . A 49 HIS HB2 . 17586 1 489 . 1 1 49 49 HIS HB3 H 1 3.176 0.000 . 2 . . . A 49 HIS HB3 . 17586 1 490 . 1 1 49 49 HIS HD2 H 1 6.702 0.000 . 1 . . . A 49 HIS HD2 . 17586 1 491 . 1 1 49 49 HIS HE1 H 1 7.886 0.000 . 1 . . . A 49 HIS HE1 . 17586 1 492 . 1 1 49 49 HIS HE2 H 1 10.580 0.000 . 1 . . . A 49 HIS HE2 . 17586 1 493 . 1 1 49 49 HIS C C 13 174.470 0.000 . 1 . . . A 49 HIS C . 17586 1 494 . 1 1 49 49 HIS CA C 13 59.610 0.000 . 1 . . . A 49 HIS CA . 17586 1 495 . 1 1 49 49 HIS CB C 13 35.170 0.000 . 1 . . . A 49 HIS CB . 17586 1 496 . 1 1 49 49 HIS N N 15 124.520 0.000 . 1 . . . A 49 HIS N . 17586 1 497 . 1 1 49 49 HIS NE2 N 15 170.160 0.000 . 1 . . . A 49 HIS NE2 . 17586 1 498 . 1 1 50 50 LEU H H 1 8.381 0.000 . 1 . . . A 50 LEU H . 17586 1 499 . 1 1 50 50 LEU HA H 1 5.328 0.000 . 1 . . . A 50 LEU HA . 17586 1 500 . 1 1 50 50 LEU HB2 H 1 1.704 0.000 . 2 . . . A 50 LEU HB2 . 17586 1 501 . 1 1 50 50 LEU HB3 H 1 1.801 0.000 . 2 . . . A 50 LEU HB3 . 17586 1 502 . 1 1 50 50 LEU HG H 1 1.673 0.000 . 1 . . . A 50 LEU HG . 17586 1 503 . 1 1 50 50 LEU HD11 H 1 1.060 0.000 . . . . . A 50 LEU HD11 . 17586 1 504 . 1 1 50 50 LEU HD12 H 1 1.060 0.000 . . . . . A 50 LEU HD12 . 17586 1 505 . 1 1 50 50 LEU HD13 H 1 1.060 0.000 . . . . . A 50 LEU HD13 . 17586 1 506 . 1 1 50 50 LEU HD21 H 1 0.869 0.000 . . . . . A 50 LEU HD21 . 17586 1 507 . 1 1 50 50 LEU HD22 H 1 0.869 0.000 . . . . . A 50 LEU HD22 . 17586 1 508 . 1 1 50 50 LEU HD23 H 1 0.869 0.000 . . . . . A 50 LEU HD23 . 17586 1 509 . 1 1 50 50 LEU C C 13 174.320 0.000 . 1 . . . A 50 LEU C . 17586 1 510 . 1 1 50 50 LEU CA C 13 53.380 0.000 . 1 . . . A 50 LEU CA . 17586 1 511 . 1 1 50 50 LEU CB C 13 46.690 0.000 . 1 . . . A 50 LEU CB . 17586 1 512 . 1 1 50 50 LEU N N 15 111.630 0.000 . 1 . . . A 50 LEU N . 17586 1 513 . 1 1 51 51 GLU H H 1 9.155 0.000 . 1 . . . A 51 GLU H . 17586 1 514 . 1 1 51 51 GLU HA H 1 5.290 0.000 . 1 . . . A 51 GLU HA . 17586 1 515 . 1 1 51 51 GLU HB2 H 1 1.934 0.000 . 2 . . . A 51 GLU HB2 . 17586 1 516 . 1 1 51 51 GLU HB3 H 1 2.067 0.000 . 2 . . . A 51 GLU HB3 . 17586 1 517 . 1 1 51 51 GLU HG2 H 1 2.180 0.000 . 2 . . . A 51 GLU HG2 . 17586 1 518 . 1 1 51 51 GLU HG3 H 1 2.230 0.000 . 2 . . . A 51 GLU HG3 . 17586 1 519 . 1 1 51 51 GLU C C 13 175.810 0.000 . 1 . . . A 51 GLU C . 17586 1 520 . 1 1 51 51 GLU CA C 13 54.280 0.000 . 1 . . . A 51 GLU CA . 17586 1 521 . 1 1 51 51 GLU CB C 13 34.630 0.000 . 1 . . . A 51 GLU CB . 17586 1 522 . 1 1 51 51 GLU N N 15 121.710 0.000 . 1 . . . A 51 GLU N . 17586 1 523 . 1 1 52 52 ILE H H 1 9.499 0.000 . 1 . . . A 52 ILE H . 17586 1 524 . 1 1 52 52 ILE HA H 1 5.305 0.000 . 1 . . . A 52 ILE HA . 17586 1 525 . 1 1 52 52 ILE HB H 1 1.665 0.000 . 1 . . . A 52 ILE HB . 17586 1 526 . 1 1 52 52 ILE HG12 H 1 1.491 0.000 . 2 . . . A 52 ILE HG12 . 17586 1 527 . 1 1 52 52 ILE HG13 H 1 1.805 0.000 . 2 . . . A 52 ILE HG13 . 17586 1 528 . 1 1 52 52 ILE HG21 H 1 0.780 0.000 . . . . . A 52 ILE HG21 . 17586 1 529 . 1 1 52 52 ILE HG22 H 1 0.780 0.000 . . . . . A 52 ILE HG22 . 17586 1 530 . 1 1 52 52 ILE HG23 H 1 0.780 0.000 . . . . . A 52 ILE HG23 . 17586 1 531 . 1 1 52 52 ILE HD11 H 1 0.865 0.000 . . . . . A 52 ILE HD11 . 17586 1 532 . 1 1 52 52 ILE HD12 H 1 0.865 0.000 . . . . . A 52 ILE HD12 . 17586 1 533 . 1 1 52 52 ILE HD13 H 1 0.865 0.000 . . . . . A 52 ILE HD13 . 17586 1 534 . 1 1 52 52 ILE C C 13 176.700 0.000 . 1 . . . A 52 ILE C . 17586 1 535 . 1 1 52 52 ILE CA C 13 60.180 0.000 . 1 . . . A 52 ILE CA . 17586 1 536 . 1 1 52 52 ILE CB C 13 40.700 0.000 . 1 . . . A 52 ILE CB . 17586 1 537 . 1 1 52 52 ILE N N 15 125.110 0.000 . 1 . . . A 52 ILE N . 17586 1 538 . 1 1 53 53 ARG H H 1 9.585 0.000 . 1 . . . A 53 ARG H . 17586 1 539 . 1 1 53 53 ARG HA H 1 5.255 0.000 . 1 . . . A 53 ARG HA . 17586 1 540 . 1 1 53 53 ARG HB2 H 1 1.840 0.000 . 2 . . . A 53 ARG HB2 . 17586 1 541 . 1 1 53 53 ARG HB3 H 1 1.907 0.000 . 2 . . . A 53 ARG HB3 . 17586 1 542 . 1 1 53 53 ARG HG2 H 1 1.492 0.000 . 2 . . . A 53 ARG HG2 . 17586 1 543 . 1 1 53 53 ARG HG3 H 1 1.671 0.000 . 2 . . . A 53 ARG HG3 . 17586 1 544 . 1 1 53 53 ARG HD2 H 1 3.165 0.000 . 2 . . . A 53 ARG HD2 . 17586 1 545 . 1 1 53 53 ARG HD3 H 1 3.225 0.000 . 2 . . . A 53 ARG HD3 . 17586 1 546 . 1 1 53 53 ARG HE H 1 7.260 0.000 . 1 . . . A 53 ARG HE . 17586 1 547 . 1 1 53 53 ARG C C 13 175.370 0.000 . 1 . . . A 53 ARG C . 17586 1 548 . 1 1 53 53 ARG CA C 13 55.350 0.000 . 1 . . . A 53 ARG CA . 17586 1 549 . 1 1 53 53 ARG CB C 13 31.830 0.000 . 1 . . . A 53 ARG CB . 17586 1 550 . 1 1 53 53 ARG N N 15 131.670 0.000 . 1 . . . A 53 ARG N . 17586 1 551 . 1 1 53 53 ARG NE N 15 84.030 0.000 . 1 . . . A 53 ARG NE . 17586 1 552 . 1 1 54 54 TRP H H 1 8.819 0.000 . 1 . . . A 54 TRP H . 17586 1 553 . 1 1 54 54 TRP HA H 1 5.916 0.000 . 1 . . . A 54 TRP HA . 17586 1 554 . 1 1 54 54 TRP HB2 H 1 3.597 0.000 . 2 . . . A 54 TRP HB2 . 17586 1 555 . 1 1 54 54 TRP HB3 H 1 2.882 0.000 . 2 . . . A 54 TRP HB3 . 17586 1 556 . 1 1 54 54 TRP HD1 H 1 6.628 0.000 . 1 . . . A 54 TRP HD1 . 17586 1 557 . 1 1 54 54 TRP HE1 H 1 10.510 0.000 . 1 . . . A 54 TRP HE1 . 17586 1 558 . 1 1 54 54 TRP HE3 H 1 7.424 0.000 . 1 . . . A 54 TRP HE3 . 17586 1 559 . 1 1 54 54 TRP HZ2 H 1 7.345 0.000 . 1 . . . A 54 TRP HZ2 . 17586 1 560 . 1 1 54 54 TRP HZ3 H 1 6.660 0.000 . 1 . . . A 54 TRP HZ3 . 17586 1 561 . 1 1 54 54 TRP HH2 H 1 6.834 0.000 . 1 . . . A 54 TRP HH2 . 17586 1 562 . 1 1 54 54 TRP C C 13 175.120 0.000 . 1 . . . A 54 TRP C . 17586 1 563 . 1 1 54 54 TRP CA C 13 55.120 0.000 . 1 . . . A 54 TRP CA . 17586 1 564 . 1 1 54 54 TRP CB C 13 33.880 0.000 . 1 . . . A 54 TRP CB . 17586 1 565 . 1 1 54 54 TRP N N 15 125.870 0.000 . 1 . . . A 54 TRP N . 17586 1 566 . 1 1 54 54 TRP NE1 N 15 130.140 0.000 . 1 . . . A 54 TRP NE1 . 17586 1 567 . 1 1 55 55 ASP H H 1 7.497 0.000 . 1 . . . A 55 ASP H . 17586 1 568 . 1 1 55 55 ASP HA H 1 4.752 0.000 . 1 . . . A 55 ASP HA . 17586 1 569 . 1 1 55 55 ASP HB2 H 1 2.453 0.000 . 2 . . . A 55 ASP HB2 . 17586 1 570 . 1 1 55 55 ASP HB3 H 1 2.994 0.000 . 2 . . . A 55 ASP HB3 . 17586 1 571 . 1 1 55 55 ASP C C 13 176.430 0.000 . 1 . . . A 55 ASP C . 17586 1 572 . 1 1 55 55 ASP CA C 13 52.070 0.000 . 1 . . . A 55 ASP CA . 17586 1 573 . 1 1 55 55 ASP CB C 13 41.580 0.000 . 1 . . . A 55 ASP CB . 17586 1 574 . 1 1 55 55 ASP N N 15 126.100 0.000 . 1 . . . A 55 ASP N . 17586 1 575 . 1 1 56 56 GLY HA2 H 1 3.962 0.000 . 2 . . . A 56 GLY HA2 . 17586 1 576 . 1 1 56 56 GLY HA3 H 1 2.581 0.000 . 2 . . . A 56 GLY HA3 . 17586 1 577 . 1 1 56 56 GLY C C 13 172.460 0.000 . 1 . . . A 56 GLY C . 17586 1 578 . 1 1 56 56 GLY CA C 13 45.230 0.000 . 1 . . . A 56 GLY CA . 17586 1 579 . 1 1 57 57 GLN H H 1 7.880 0.000 . 1 . . . A 57 GLN H . 17586 1 580 . 1 1 57 57 GLN HA H 1 4.256 0.000 . 1 . . . A 57 GLN HA . 17586 1 581 . 1 1 57 57 GLN HB2 H 1 1.847 0.000 . 2 . . . A 57 GLN HB2 . 17586 1 582 . 1 1 57 57 GLN HB3 H 1 1.952 0.000 . 2 . . . A 57 GLN HB3 . 17586 1 583 . 1 1 57 57 GLN HG2 H 1 2.059 0.000 . 2 . . . A 57 GLN HG2 . 17586 1 584 . 1 1 57 57 GLN HG3 H 1 2.102 0.000 . 2 . . . A 57 GLN HG3 . 17586 1 585 . 1 1 57 57 GLN C C 13 174.850 0.000 . 1 . . . A 57 GLN C . 17586 1 586 . 1 1 57 57 GLN CA C 13 57.470 0.000 . 1 . . . A 57 GLN CA . 17586 1 587 . 1 1 57 57 GLN CB C 13 32.310 0.000 . 1 . . . A 57 GLN CB . 17586 1 588 . 1 1 57 57 GLN N N 15 118.310 0.000 . 1 . . . A 57 GLN N . 17586 1 589 . 1 1 58 58 VAL H H 1 9.562 0.000 . 1 . . . A 58 VAL H . 17586 1 590 . 1 1 58 58 VAL HA H 1 4.322 0.000 . 1 . . . A 58 VAL HA . 17586 1 591 . 1 1 58 58 VAL HB H 1 1.928 0.000 . 1 . . . A 58 VAL HB . 17586 1 592 . 1 1 58 58 VAL HG11 H 1 0.849 0.000 . . . . . A 58 VAL HG11 . 17586 1 593 . 1 1 58 58 VAL HG12 H 1 0.849 0.000 . . . . . A 58 VAL HG12 . 17586 1 594 . 1 1 58 58 VAL HG13 H 1 0.849 0.000 . . . . . A 58 VAL HG13 . 17586 1 595 . 1 1 58 58 VAL HG21 H 1 0.830 0.000 . . . . . A 58 VAL HG21 . 17586 1 596 . 1 1 58 58 VAL HG22 H 1 0.830 0.000 . . . . . A 58 VAL HG22 . 17586 1 597 . 1 1 58 58 VAL HG23 H 1 0.830 0.000 . . . . . A 58 VAL HG23 . 17586 1 598 . 1 1 58 58 VAL C C 13 173.880 0.000 . 1 . . . A 58 VAL C . 17586 1 599 . 1 1 58 58 VAL CA C 13 61.420 0.000 . 1 . . . A 58 VAL CA . 17586 1 600 . 1 1 58 58 VAL CB C 13 35.580 0.000 . 1 . . . A 58 VAL CB . 17586 1 601 . 1 1 58 58 VAL N N 15 122.290 0.000 . 1 . . . A 58 VAL N . 17586 1 602 . 1 1 59 59 ALA H H 1 9.773 0.000 . 1 . . . A 59 ALA H . 17586 1 603 . 1 1 59 59 ALA HA H 1 5.632 0.000 . 1 . . . A 59 ALA HA . 17586 1 604 . 1 1 59 59 ALA HB1 H 1 1.263 0.000 . . . . . A 59 ALA HB1 . 17586 1 605 . 1 1 59 59 ALA HB2 H 1 1.263 0.000 . . . . . A 59 ALA HB2 . 17586 1 606 . 1 1 59 59 ALA HB3 H 1 1.263 0.000 . . . . . A 59 ALA HB3 . 17586 1 607 . 1 1 59 59 ALA C C 13 174.410 0.000 . 1 . . . A 59 ALA C . 17586 1 608 . 1 1 59 59 ALA CA C 13 49.960 0.000 . 1 . . . A 59 ALA CA . 17586 1 609 . 1 1 59 59 ALA CB C 13 20.310 0.000 . 1 . . . A 59 ALA CB . 17586 1 610 . 1 1 59 59 ALA N N 15 131.380 0.000 . 1 . . . A 59 ALA N . 17586 1 611 . 1 1 60 60 LEU H H 1 8.780 0.000 . 1 . . . A 60 LEU H . 17586 1 612 . 1 1 60 60 LEU HA H 1 4.895 0.000 . 1 . . . A 60 LEU HA . 17586 1 613 . 1 1 60 60 LEU HB2 H 1 1.552 0.000 . 2 . . . A 60 LEU HB2 . 17586 1 614 . 1 1 60 60 LEU HB3 H 1 1.822 0.000 . 2 . . . A 60 LEU HB3 . 17586 1 615 . 1 1 60 60 LEU HG H 1 1.525 0.000 . 1 . . . A 60 LEU HG . 17586 1 616 . 1 1 60 60 LEU HD11 H 1 0.874 0.000 . . . . . A 60 LEU HD11 . 17586 1 617 . 1 1 60 60 LEU HD12 H 1 0.874 0.000 . . . . . A 60 LEU HD12 . 17586 1 618 . 1 1 60 60 LEU HD13 H 1 0.874 0.000 . . . . . A 60 LEU HD13 . 17586 1 619 . 1 1 60 60 LEU HD21 H 1 0.851 0.000 . . . . . A 60 LEU HD21 . 17586 1 620 . 1 1 60 60 LEU HD22 H 1 0.851 0.000 . . . . . A 60 LEU HD22 . 17586 1 621 . 1 1 60 60 LEU HD23 H 1 0.851 0.000 . . . . . A 60 LEU HD23 . 17586 1 622 . 1 1 60 60 LEU C C 13 175.100 0.000 . 1 . . . A 60 LEU C . 17586 1 623 . 1 1 60 60 LEU CA C 13 53.710 0.000 . 1 . . . A 60 LEU CA . 17586 1 624 . 1 1 60 60 LEU CB C 13 44.440 0.000 . 1 . . . A 60 LEU CB . 17586 1 625 . 1 1 60 60 LEU N N 15 125.220 0.000 . 1 . . . A 60 LEU N . 17586 1 626 . 1 1 61 61 LEU H H 1 9.570 0.000 . 1 . . . A 61 LEU H . 17586 1 627 . 1 1 61 61 LEU HA H 1 5.165 0.000 . 1 . . . A 61 LEU HA . 17586 1 628 . 1 1 61 61 LEU HB2 H 1 1.662 0.000 . 2 . . . A 61 LEU HB2 . 17586 1 629 . 1 1 61 61 LEU HB3 H 1 2.139 0.000 . 2 . . . A 61 LEU HB3 . 17586 1 630 . 1 1 61 61 LEU HG H 1 1.402 0.000 . 1 . . . A 61 LEU HG . 17586 1 631 . 1 1 61 61 LEU HD11 H 1 0.866 0.000 . . . . . A 61 LEU HD11 . 17586 1 632 . 1 1 61 61 LEU HD12 H 1 0.866 0.000 . . . . . A 61 LEU HD12 . 17586 1 633 . 1 1 61 61 LEU HD13 H 1 0.866 0.000 . . . . . A 61 LEU HD13 . 17586 1 634 . 1 1 61 61 LEU HD21 H 1 0.738 0.000 . . . . . A 61 LEU HD21 . 17586 1 635 . 1 1 61 61 LEU HD22 H 1 0.738 0.000 . . . . . A 61 LEU HD22 . 17586 1 636 . 1 1 61 61 LEU HD23 H 1 0.738 0.000 . . . . . A 61 LEU HD23 . 17586 1 637 . 1 1 61 61 LEU C C 13 174.970 0.000 . 1 . . . A 61 LEU C . 17586 1 638 . 1 1 61 61 LEU CA C 13 54.950 0.000 . 1 . . . A 61 LEU CA . 17586 1 639 . 1 1 61 61 LEU CB C 13 44.920 0.000 . 1 . . . A 61 LEU CB . 17586 1 640 . 1 1 61 61 LEU N N 15 129.970 0.000 . 1 . . . A 61 LEU N . 17586 1 641 . 1 1 62 62 ALA H H 1 9.491 0.000 . 1 . . . A 62 ALA H . 17586 1 642 . 1 1 62 62 ALA HA H 1 5.389 0.000 . 1 . . . A 62 ALA HA . 17586 1 643 . 1 1 62 62 ALA HB1 H 1 1.480 0.000 . . . . . A 62 ALA HB1 . 17586 1 644 . 1 1 62 62 ALA HB2 H 1 1.480 0.000 . . . . . A 62 ALA HB2 . 17586 1 645 . 1 1 62 62 ALA HB3 H 1 1.480 0.000 . . . . . A 62 ALA HB3 . 17586 1 646 . 1 1 62 62 ALA C C 13 176.470 0.000 . 1 . . . A 62 ALA C . 17586 1 647 . 1 1 62 62 ALA CA C 13 51.770 0.000 . 1 . . . A 62 ALA CA . 17586 1 648 . 1 1 62 62 ALA CB C 13 22.020 0.000 . 1 . . . A 62 ALA CB . 17586 1 649 . 1 1 62 62 ALA N N 15 128.270 0.000 . 1 . . . A 62 ALA N . 17586 1 650 . 1 1 63 63 ASP H H 1 8.553 0.000 . 1 . . . A 63 ASP H . 17586 1 651 . 1 1 63 63 ASP HA H 1 4.740 0.000 . 1 . . . A 63 ASP HA . 17586 1 652 . 1 1 63 63 ASP HB2 H 1 2.433 0.000 . 2 . . . A 63 ASP HB2 . 17586 1 653 . 1 1 63 63 ASP HB3 H 1 2.908 0.000 . 2 . . . A 63 ASP HB3 . 17586 1 654 . 1 1 63 63 ASP C C 13 176.900 0.000 . 1 . . . A 63 ASP C . 17586 1 655 . 1 1 63 63 ASP CA C 13 55.290 0.000 . 1 . . . A 63 ASP CA . 17586 1 656 . 1 1 63 63 ASP CB C 13 44.310 0.000 . 1 . . . A 63 ASP CB . 17586 1 657 . 1 1 63 63 ASP N N 15 123.700 0.000 . 1 . . . A 63 ASP N . 17586 1 658 . 1 1 64 64 LEU H H 1 8.490 0.000 . 1 . . . A 64 LEU H . 17586 1 659 . 1 1 64 64 LEU HA H 1 4.601 0.000 . 1 . . . A 64 LEU HA . 17586 1 660 . 1 1 64 64 LEU HB2 H 1 1.355 0.000 . 2 . . . A 64 LEU HB2 . 17586 1 661 . 1 1 64 64 LEU HB3 H 1 1.505 0.000 . 2 . . . A 64 LEU HB3 . 17586 1 662 . 1 1 64 64 LEU HG H 1 1.081 0.000 . 1 . . . A 64 LEU HG . 17586 1 663 . 1 1 64 64 LEU HD11 H 1 0.750 0.000 . . . . . A 64 LEU HD11 . 17586 1 664 . 1 1 64 64 LEU HD12 H 1 0.750 0.000 . . . . . A 64 LEU HD12 . 17586 1 665 . 1 1 64 64 LEU HD13 H 1 0.750 0.000 . . . . . A 64 LEU HD13 . 17586 1 666 . 1 1 64 64 LEU HD21 H 1 0.633 0.000 . . . . . A 64 LEU HD21 . 17586 1 667 . 1 1 64 64 LEU HD22 H 1 0.633 0.000 . . . . . A 64 LEU HD22 . 17586 1 668 . 1 1 64 64 LEU HD23 H 1 0.633 0.000 . . . . . A 64 LEU HD23 . 17586 1 669 . 1 1 64 64 LEU C C 13 176.070 0.000 . 1 . . . A 64 LEU C . 17586 1 670 . 1 1 64 64 LEU CA C 13 53.210 0.000 . 1 . . . A 64 LEU CA . 17586 1 671 . 1 1 64 64 LEU CB C 13 38.580 0.000 . 1 . . . A 64 LEU CB . 17586 1 672 . 1 1 64 64 LEU N N 15 130.090 0.000 . 1 . . . A 64 LEU N . 17586 1 673 . 1 1 65 65 ASN H H 1 7.958 0.000 . 1 . . . A 65 ASN H . 17586 1 674 . 1 1 65 65 ASN HA H 1 4.327 0.000 . 1 . . . A 65 ASN HA . 17586 1 675 . 1 1 65 65 ASN HB2 H 1 2.761 0.000 . 2 . . . A 65 ASN HB2 . 17586 1 676 . 1 1 65 65 ASN HB3 H 1 2.980 0.000 . 2 . . . A 65 ASN HB3 . 17586 1 677 . 1 1 65 65 ASN HD21 H 1 6.837 0.000 . 2 . . . A 65 ASN HD21 . 17586 1 678 . 1 1 65 65 ASN HD22 H 1 7.568 0.000 . 2 . . . A 65 ASN HD22 . 17586 1 679 . 1 1 65 65 ASN C C 13 175.630 0.000 . 1 . . . A 65 ASN C . 17586 1 680 . 1 1 65 65 ASN CA C 13 54.080 0.000 . 1 . . . A 65 ASN CA . 17586 1 681 . 1 1 65 65 ASN CB C 13 37.420 0.000 . 1 . . . A 65 ASN CB . 17586 1 682 . 1 1 65 65 ASN N N 15 119.190 0.000 . 1 . . . A 65 ASN N . 17586 1 683 . 1 1 65 65 ASN ND2 N 15 112.550 0.000 . 1 . . . A 65 ASN ND2 . 17586 1 684 . 1 1 66 66 SER H H 1 8.772 0.000 . 1 . . . A 66 SER H . 17586 1 685 . 1 1 66 66 SER HA H 1 3.942 0.000 . 1 . . . A 66 SER HA . 17586 1 686 . 1 1 66 66 SER HB2 H 1 3.072 0.000 . 2 . . . A 66 SER HB2 . 17586 1 687 . 1 1 66 66 SER HB3 H 1 3.280 0.000 . 2 . . . A 66 SER HB3 . 17586 1 688 . 1 1 66 66 SER C C 13 176.090 0.000 . 1 . . . A 66 SER C . 17586 1 689 . 1 1 66 66 SER CA C 13 59.110 0.000 . 1 . . . A 66 SER CA . 17586 1 690 . 1 1 66 66 SER CB C 13 61.760 0.000 . 1 . . . A 66 SER CB . 17586 1 691 . 1 1 66 66 SER N N 15 116.840 0.000 . 1 . . . A 66 SER N . 17586 1 692 . 1 1 67 67 THR H H 1 7.567 0.000 . 1 . . . A 67 THR H . 17586 1 693 . 1 1 67 67 THR HA H 1 4.068 0.000 . 1 . . . A 67 THR HA . 17586 1 694 . 1 1 67 67 THR HB H 1 3.868 0.000 . 1 . . . A 67 THR HB . 17586 1 695 . 1 1 67 67 THR HG21 H 1 1.180 0.000 . . . . . A 67 THR HG21 . 17586 1 696 . 1 1 67 67 THR HG22 H 1 1.180 0.000 . . . . . A 67 THR HG22 . 17586 1 697 . 1 1 67 67 THR HG23 H 1 1.180 0.000 . . . . . A 67 THR HG23 . 17586 1 698 . 1 1 67 67 THR C C 13 176.440 0.000 . 1 . . . A 67 THR C . 17586 1 699 . 1 1 67 67 THR CA C 13 67.120 0.000 . 1 . . . A 67 THR CA . 17586 1 700 . 1 1 67 67 THR CB C 13 68.510 0.000 . 1 . . . A 67 THR CB . 17586 1 701 . 1 1 67 67 THR N N 15 117.200 0.000 . 1 . . . A 67 THR N . 17586 1 702 . 1 1 68 68 ASN H H 1 8.873 0.000 . 1 . . . A 68 ASN H . 17586 1 703 . 1 1 68 68 ASN HA H 1 4.975 0.000 . 1 . . . A 68 ASN HA . 17586 1 704 . 1 1 68 68 ASN HB2 H 1 2.887 0.000 . 2 . . . A 68 ASN HB2 . 17586 1 705 . 1 1 68 68 ASN HB3 H 1 3.094 0.000 . 2 . . . A 68 ASN HB3 . 17586 1 706 . 1 1 68 68 ASN HD21 H 1 7.122 0.000 . 2 . . . A 68 ASN HD21 . 17586 1 707 . 1 1 68 68 ASN HD22 H 1 8.069 0.000 . 2 . . . A 68 ASN HD22 . 17586 1 708 . 1 1 68 68 ASN C C 13 176.300 0.000 . 1 . . . A 68 ASN C . 17586 1 709 . 1 1 68 68 ASN CA C 13 53.610 0.000 . 1 . . . A 68 ASN CA . 17586 1 710 . 1 1 68 68 ASN CB C 13 40.700 0.000 . 1 . . . A 68 ASN CB . 17586 1 711 . 1 1 68 68 ASN N N 15 114.500 0.000 . 1 . . . A 68 ASN N . 17586 1 712 . 1 1 68 68 ASN ND2 N 15 115.140 0.000 . 1 . . . A 68 ASN ND2 . 17586 1 713 . 1 1 69 69 GLY H H 1 7.731 0.000 . 1 . . . A 69 GLY H . 17586 1 714 . 1 1 69 69 GLY HA2 H 1 3.857 0.000 . 2 . . . A 69 GLY HA2 . 17586 1 715 . 1 1 69 69 GLY HA3 H 1 4.242 0.000 . 2 . . . A 69 GLY HA3 . 17586 1 716 . 1 1 69 69 GLY C C 13 173.660 0.000 . 1 . . . A 69 GLY C . 17586 1 717 . 1 1 69 69 GLY CA C 13 45.060 0.000 . 1 . . . A 69 GLY CA . 17586 1 718 . 1 1 69 69 GLY N N 15 111.100 0.000 . 1 . . . A 69 GLY N . 17586 1 719 . 1 1 70 70 THR H H 1 8.881 0.000 . 1 . . . A 70 THR H . 17586 1 720 . 1 1 70 70 THR HA H 1 4.790 0.000 . 1 . . . A 70 THR HA . 17586 1 721 . 1 1 70 70 THR HB H 1 3.705 0.000 . 1 . . . A 70 THR HB . 17586 1 722 . 1 1 70 70 THR HG1 H 1 7.103 0.000 . 1 . . . A 70 THR HG1 . 17586 1 723 . 1 1 70 70 THR HG21 H 1 1.032 0.000 . . . . . A 70 THR HG21 . 17586 1 724 . 1 1 70 70 THR HG22 H 1 1.032 0.000 . . . . . A 70 THR HG22 . 17586 1 725 . 1 1 70 70 THR HG23 H 1 1.032 0.000 . . . . . A 70 THR HG23 . 17586 1 726 . 1 1 70 70 THR C C 13 174.010 0.000 . 1 . . . A 70 THR C . 17586 1 727 . 1 1 70 70 THR CA C 13 63.900 0.000 . 1 . . . A 70 THR CA . 17586 1 728 . 1 1 70 70 THR CB C 13 71.850 0.000 . 1 . . . A 70 THR CB . 17586 1 729 . 1 1 70 70 THR N N 15 118.480 0.000 . 1 . . . A 70 THR N . 17586 1 730 . 1 1 71 71 THR H H 1 8.373 0.000 . 1 . . . A 71 THR H . 17586 1 731 . 1 1 71 71 THR HA H 1 5.181 0.000 . 1 . . . A 71 THR HA . 17586 1 732 . 1 1 71 71 THR HB H 1 3.568 0.000 . 1 . . . A 71 THR HB . 17586 1 733 . 1 1 71 71 THR HG21 H 1 0.888 0.000 . . . . . A 71 THR HG21 . 17586 1 734 . 1 1 71 71 THR HG22 H 1 0.888 0.000 . . . . . A 71 THR HG22 . 17586 1 735 . 1 1 71 71 THR HG23 H 1 0.888 0.000 . . . . . A 71 THR HG23 . 17586 1 736 . 1 1 71 71 THR C C 13 174.120 0.000 . 1 . . . A 71 THR C . 17586 1 737 . 1 1 71 71 THR CA C 13 58.740 0.000 . 1 . . . A 71 THR CA . 17586 1 738 . 1 1 71 71 THR CB C 13 72.730 0.000 . 1 . . . A 71 THR CB . 17586 1 739 . 1 1 71 71 THR N N 15 114.730 0.000 . 1 . . . A 71 THR N . 17586 1 740 . 1 1 72 72 VAL H H 1 8.490 0.000 . 1 . . . A 72 VAL H . 17586 1 741 . 1 1 72 72 VAL HA H 1 4.567 0.000 . 1 . . . A 72 VAL HA . 17586 1 742 . 1 1 72 72 VAL HB H 1 0.231 0.000 . 1 . . . A 72 VAL HB . 17586 1 743 . 1 1 72 72 VAL HG11 H 1 0.578 0.000 . . . . . A 72 VAL HG11 . 17586 1 744 . 1 1 72 72 VAL HG12 H 1 0.578 0.000 . . . . . A 72 VAL HG12 . 17586 1 745 . 1 1 72 72 VAL HG13 H 1 0.578 0.000 . . . . . A 72 VAL HG13 . 17586 1 746 . 1 1 72 72 VAL HG21 H 1 0.483 0.000 . . . . . A 72 VAL HG21 . 17586 1 747 . 1 1 72 72 VAL HG22 H 1 0.483 0.000 . . . . . A 72 VAL HG22 . 17586 1 748 . 1 1 72 72 VAL HG23 H 1 0.483 0.000 . . . . . A 72 VAL HG23 . 17586 1 749 . 1 1 72 72 VAL C C 13 176.350 0.000 . 1 . . . A 72 VAL C . 17586 1 750 . 1 1 72 72 VAL CA C 13 61.380 0.000 . 1 . . . A 72 VAL CA . 17586 1 751 . 1 1 72 72 VAL CB C 13 33.130 0.000 . 1 . . . A 72 VAL CB . 17586 1 752 . 1 1 72 72 VAL N N 15 119.830 0.000 . 1 . . . A 72 VAL N . 17586 1 753 . 1 1 73 73 ASN H H 1 9.648 0.000 . 1 . . . A 73 ASN H . 17586 1 754 . 1 1 73 73 ASN HA H 1 4.360 0.000 . 1 . . . A 73 ASN HA . 17586 1 755 . 1 1 73 73 ASN HB2 H 1 2.871 0.000 . 2 . . . A 73 ASN HB2 . 17586 1 756 . 1 1 73 73 ASN HB3 H 1 2.963 0.000 . 2 . . . A 73 ASN HB3 . 17586 1 757 . 1 1 73 73 ASN HD21 H 1 7.648 0.000 . 2 . . . A 73 ASN HD21 . 17586 1 758 . 1 1 73 73 ASN HD22 H 1 7.758 0.000 . 2 . . . A 73 ASN HD22 . 17586 1 759 . 1 1 73 73 ASN C C 13 175.040 0.000 . 1 . . . A 73 ASN C . 17586 1 760 . 1 1 73 73 ASN CA C 13 54.750 0.000 . 1 . . . A 73 ASN CA . 17586 1 761 . 1 1 73 73 ASN CB C 13 36.540 0.000 . 1 . . . A 73 ASN CB . 17586 1 762 . 1 1 73 73 ASN N N 15 128.740 0.000 . 1 . . . A 73 ASN N . 17586 1 763 . 1 1 73 73 ASN ND2 N 15 116.900 0.000 . 1 . . . A 73 ASN ND2 . 17586 1 764 . 1 1 74 74 ASN H H 1 8.967 0.000 . 1 . . . A 74 ASN H . 17586 1 765 . 1 1 74 74 ASN HA H 1 4.007 0.000 . 1 . . . A 74 ASN HA . 17586 1 766 . 1 1 74 74 ASN HB2 H 1 3.005 0.000 . 2 . . . A 74 ASN HB2 . 17586 1 767 . 1 1 74 74 ASN HB3 H 1 3.056 0.000 . 2 . . . A 74 ASN HB3 . 17586 1 768 . 1 1 74 74 ASN HD21 H 1 6.873 0.000 . 2 . . . A 74 ASN HD21 . 17586 1 769 . 1 1 74 74 ASN HD22 H 1 7.539 0.000 . 2 . . . A 74 ASN HD22 . 17586 1 770 . 1 1 74 74 ASN C C 13 173.220 0.000 . 1 . . . A 74 ASN C . 17586 1 771 . 1 1 74 74 ASN CA C 13 55.050 0.000 . 1 . . . A 74 ASN CA . 17586 1 772 . 1 1 74 74 ASN CB C 13 38.040 0.000 . 1 . . . A 74 ASN CB . 17586 1 773 . 1 1 74 74 ASN N N 15 107.120 0.000 . 1 . . . A 74 ASN N . 17586 1 774 . 1 1 74 74 ASN ND2 N 15 113.590 0.000 . 1 . . . A 74 ASN ND2 . 17586 1 775 . 1 1 75 75 ALA H H 1 7.786 0.000 . 1 . . . A 75 ALA H . 17586 1 776 . 1 1 75 75 ALA HA H 1 4.992 0.000 . 1 . . . A 75 ALA HA . 17586 1 777 . 1 1 75 75 ALA HB1 H 1 1.276 0.000 . . . . . A 75 ALA HB1 . 17586 1 778 . 1 1 75 75 ALA HB2 H 1 1.276 0.000 . . . . . A 75 ALA HB2 . 17586 1 779 . 1 1 75 75 ALA HB3 H 1 1.276 0.000 . . . . . A 75 ALA HB3 . 17586 1 780 . 1 1 75 75 ALA C C 13 174.160 0.000 . 1 . . . A 75 ALA C . 17586 1 781 . 1 1 75 75 ALA CA C 13 49.320 0.000 . 1 . . . A 75 ALA CA . 17586 1 782 . 1 1 75 75 ALA CB C 13 19.900 0.000 . 1 . . . A 75 ALA CB . 17586 1 783 . 1 1 75 75 ALA N N 15 124.870 0.000 . 1 . . . A 75 ALA N . 17586 1 784 . 1 1 76 76 PRO HA H 1 4.617 0.000 . 1 . . . A 76 PRO HA . 17586 1 785 . 1 1 76 76 PRO HB2 H 1 1.920 0.000 . 2 . . . A 76 PRO HB2 . 17586 1 786 . 1 1 76 76 PRO HB3 H 1 2.327 0.000 . 2 . . . A 76 PRO HB3 . 17586 1 787 . 1 1 76 76 PRO HG2 H 1 1.989 0.000 . 2 . . . A 76 PRO HG2 . 17586 1 788 . 1 1 76 76 PRO HG3 H 1 2.181 0.000 . 2 . . . A 76 PRO HG3 . 17586 1 789 . 1 1 76 76 PRO HD2 H 1 3.742 0.000 . 2 . . . A 76 PRO HD2 . 17586 1 790 . 1 1 76 76 PRO HD3 H 1 3.852 0.000 . 2 . . . A 76 PRO HD3 . 17586 1 791 . 1 1 76 76 PRO C C 13 177.350 0.000 . 1 . . . A 76 PRO C . 17586 1 792 . 1 1 76 76 PRO CA C 13 63.330 0.000 . 1 . . . A 76 PRO CA . 17586 1 793 . 1 1 76 76 PRO CB C 13 32.240 0.000 . 1 . . . A 76 PRO CB . 17586 1 794 . 1 1 77 77 VAL H H 1 8.013 0.000 . 1 . . . A 77 VAL H . 17586 1 795 . 1 1 77 77 VAL HA H 1 4.832 0.000 . 1 . . . A 77 VAL HA . 17586 1 796 . 1 1 77 77 VAL HB H 1 2.100 0.000 . 1 . . . A 77 VAL HB . 17586 1 797 . 1 1 77 77 VAL HG11 H 1 0.731 0.000 . . . . . A 77 VAL HG11 . 17586 1 798 . 1 1 77 77 VAL HG12 H 1 0.731 0.000 . . . . . A 77 VAL HG12 . 17586 1 799 . 1 1 77 77 VAL HG13 H 1 0.731 0.000 . . . . . A 77 VAL HG13 . 17586 1 800 . 1 1 77 77 VAL HG21 H 1 0.504 0.000 . . . . . A 77 VAL HG21 . 17586 1 801 . 1 1 77 77 VAL HG22 H 1 0.504 0.000 . . . . . A 77 VAL HG22 . 17586 1 802 . 1 1 77 77 VAL HG23 H 1 0.504 0.000 . . . . . A 77 VAL HG23 . 17586 1 803 . 1 1 77 77 VAL C C 13 174.370 0.000 . 1 . . . A 77 VAL C . 17586 1 804 . 1 1 77 77 VAL CA C 13 59.580 0.000 . 1 . . . A 77 VAL CA . 17586 1 805 . 1 1 77 77 VAL CB C 13 36.400 0.000 . 1 . . . A 77 VAL CB . 17586 1 806 . 1 1 77 77 VAL N N 15 114.850 0.000 . 1 . . . A 77 VAL N . 17586 1 807 . 1 1 78 78 GLN H H 1 8.756 0.000 . 1 . . . A 78 GLN H . 17586 1 808 . 1 1 78 78 GLN HA H 1 4.617 0.000 . 1 . . . A 78 GLN HA . 17586 1 809 . 1 1 78 78 GLN HB2 H 1 2.117 0.000 . 2 . . . A 78 GLN HB2 . 17586 1 810 . 1 1 78 78 GLN HB3 H 1 2.174 0.000 . 2 . . . A 78 GLN HB3 . 17586 1 811 . 1 1 78 78 GLN HG2 H 1 2.337 0.000 . 2 . . . A 78 GLN HG2 . 17586 1 812 . 1 1 78 78 GLN HG3 H 1 2.513 0.000 . 2 . . . A 78 GLN HG3 . 17586 1 813 . 1 1 78 78 GLN HE21 H 1 6.980 0.000 . 2 . . . A 78 GLN HE21 . 17586 1 814 . 1 1 78 78 GLN HE22 H 1 7.674 0.000 . 2 . . . A 78 GLN HE22 . 17586 1 815 . 1 1 78 78 GLN C C 13 175.540 0.000 . 1 . . . A 78 GLN C . 17586 1 816 . 1 1 78 78 GLN CA C 13 57.630 0.000 . 1 . . . A 78 GLN CA . 17586 1 817 . 1 1 78 78 GLN CB C 13 30.200 0.000 . 1 . . . A 78 GLN CB . 17586 1 818 . 1 1 78 78 GLN N N 15 119.360 0.000 . 1 . . . A 78 GLN N . 17586 1 819 . 1 1 78 78 GLN NE2 N 15 112.920 0.000 . 1 . . . A 78 GLN NE2 . 17586 1 820 . 1 1 79 79 GLU H H 1 7.794 0.000 . 1 . . . A 79 GLU H . 17586 1 821 . 1 1 79 79 GLU HA H 1 5.648 0.000 . 1 . . . A 79 GLU HA . 17586 1 822 . 1 1 79 79 GLU HB2 H 1 2.093 0.000 . 2 . . . A 79 GLU HB2 . 17586 1 823 . 1 1 79 79 GLU HB3 H 1 2.142 0.000 . 2 . . . A 79 GLU HB3 . 17586 1 824 . 1 1 79 79 GLU HG2 H 1 2.320 0.000 . 2 . . . A 79 GLU HG2 . 17586 1 825 . 1 1 79 79 GLU HG3 H 1 2.343 0.000 . 2 . . . A 79 GLU HG3 . 17586 1 826 . 1 1 79 79 GLU C C 13 175.950 0.000 . 1 . . . A 79 GLU C . 17586 1 827 . 1 1 79 79 GLU CA C 13 55.120 0.000 . 1 . . . A 79 GLU CA . 17586 1 828 . 1 1 79 79 GLU CB C 13 33.880 0.000 . 1 . . . A 79 GLU CB . 17586 1 829 . 1 1 79 79 GLU N N 15 116.840 0.000 . 1 . . . A 79 GLU N . 17586 1 830 . 1 1 80 80 TRP H H 1 9.194 0.000 . 1 . . . A 80 TRP H . 17586 1 831 . 1 1 80 80 TRP HA H 1 4.778 0.000 . 1 . . . A 80 TRP HA . 17586 1 832 . 1 1 80 80 TRP HB2 H 1 2.836 0.000 . 2 . . . A 80 TRP HB2 . 17586 1 833 . 1 1 80 80 TRP HB3 H 1 3.298 0.000 . 2 . . . A 80 TRP HB3 . 17586 1 834 . 1 1 80 80 TRP HD1 H 1 6.731 0.000 . 1 . . . A 80 TRP HD1 . 17586 1 835 . 1 1 80 80 TRP HE1 H 1 10.590 0.000 . 1 . . . A 80 TRP HE1 . 17586 1 836 . 1 1 80 80 TRP HE3 H 1 7.908 0.000 . 1 . . . A 80 TRP HE3 . 17586 1 837 . 1 1 80 80 TRP HZ2 H 1 7.649 0.000 . 1 . . . A 80 TRP HZ2 . 17586 1 838 . 1 1 80 80 TRP HZ3 H 1 7.213 0.000 . 1 . . . A 80 TRP HZ3 . 17586 1 839 . 1 1 80 80 TRP HH2 H 1 7.276 0.000 . 1 . . . A 80 TRP HH2 . 17586 1 840 . 1 1 80 80 TRP C C 13 173.420 0.000 . 1 . . . A 80 TRP C . 17586 1 841 . 1 1 80 80 TRP CA C 13 57.570 0.000 . 1 . . . A 80 TRP CA . 17586 1 842 . 1 1 80 80 TRP CB C 13 34.900 0.000 . 1 . . . A 80 TRP CB . 17586 1 843 . 1 1 80 80 TRP N N 15 123.520 0.000 . 1 . . . A 80 TRP N . 17586 1 844 . 1 1 80 80 TRP NE1 N 15 133.070 0.000 . 1 . . . A 80 TRP NE1 . 17586 1 845 . 1 1 81 81 GLN H H 1 7.794 0.000 . 1 . . . A 81 GLN H . 17586 1 846 . 1 1 81 81 GLN HA H 1 4.712 0.000 . 1 . . . A 81 GLN HA . 17586 1 847 . 1 1 81 81 GLN HB2 H 1 1.653 0.000 . 2 . . . A 81 GLN HB2 . 17586 1 848 . 1 1 81 81 GLN HB3 H 1 1.689 0.000 . 2 . . . A 81 GLN HB3 . 17586 1 849 . 1 1 81 81 GLN HG2 H 1 2.123 0.000 . 2 . . . A 81 GLN HG2 . 17586 1 850 . 1 1 81 81 GLN HG3 H 1 2.168 0.000 . 2 . . . A 81 GLN HG3 . 17586 1 851 . 1 1 81 81 GLN HE21 H 1 6.814 0.000 . 2 . . . A 81 GLN HE21 . 17586 1 852 . 1 1 81 81 GLN HE22 H 1 7.477 0.000 . 2 . . . A 81 GLN HE22 . 17586 1 853 . 1 1 81 81 GLN C C 13 173.800 0.000 . 1 . . . A 81 GLN C . 17586 1 854 . 1 1 81 81 GLN CA C 13 55.450 0.000 . 1 . . . A 81 GLN CA . 17586 1 855 . 1 1 81 81 GLN CB C 13 28.150 0.000 . 1 . . . A 81 GLN CB . 17586 1 856 . 1 1 81 81 GLN N N 15 129.910 0.000 . 1 . . . A 81 GLN N . 17586 1 857 . 1 1 81 81 GLN NE2 N 15 111.930 0.000 . 1 . . . A 81 GLN NE2 . 17586 1 858 . 1 1 82 82 LEU H H 1 8.388 0.000 . 1 . . . A 82 LEU H . 17586 1 859 . 1 1 82 82 LEU HA H 1 4.634 0.000 . 1 . . . A 82 LEU HA . 17586 1 860 . 1 1 82 82 LEU HB2 H 1 1.452 0.000 . 2 . . . A 82 LEU HB2 . 17586 1 861 . 1 1 82 82 LEU HB3 H 1 1.936 0.000 . 2 . . . A 82 LEU HB3 . 17586 1 862 . 1 1 82 82 LEU HG H 1 1.993 0.000 . 1 . . . A 82 LEU HG . 17586 1 863 . 1 1 82 82 LEU HD11 H 1 1.245 0.000 . . . . . A 82 LEU HD11 . 17586 1 864 . 1 1 82 82 LEU HD12 H 1 1.245 0.000 . . . . . A 82 LEU HD12 . 17586 1 865 . 1 1 82 82 LEU HD13 H 1 1.245 0.000 . . . . . A 82 LEU HD13 . 17586 1 866 . 1 1 82 82 LEU HD21 H 1 0.935 0.000 . . . . . A 82 LEU HD21 . 17586 1 867 . 1 1 82 82 LEU HD22 H 1 0.935 0.000 . . . . . A 82 LEU HD22 . 17586 1 868 . 1 1 82 82 LEU HD23 H 1 0.935 0.000 . . . . . A 82 LEU HD23 . 17586 1 869 . 1 1 82 82 LEU C C 13 175.530 0.000 . 1 . . . A 82 LEU C . 17586 1 870 . 1 1 82 82 LEU CA C 13 55.820 0.000 . 1 . . . A 82 LEU CA . 17586 1 871 . 1 1 82 82 LEU CB C 13 44.170 0.000 . 1 . . . A 82 LEU CB . 17586 1 872 . 1 1 82 82 LEU N N 15 125.050 0.000 . 1 . . . A 82 LEU N . 17586 1 873 . 1 1 83 83 ALA H H 1 9.139 0.000 . 1 . . . A 83 ALA H . 17586 1 874 . 1 1 83 83 ALA HA H 1 4.696 0.000 . 1 . . . A 83 ALA HA . 17586 1 875 . 1 1 83 83 ALA HB1 H 1 1.484 0.000 . . . . . A 83 ALA HB1 . 17586 1 876 . 1 1 83 83 ALA HB2 H 1 1.484 0.000 . . . . . A 83 ALA HB2 . 17586 1 877 . 1 1 83 83 ALA HB3 H 1 1.484 0.000 . . . . . A 83 ALA HB3 . 17586 1 878 . 1 1 83 83 ALA C C 13 176.180 0.000 . 1 . . . A 83 ALA C . 17586 1 879 . 1 1 83 83 ALA CA C 13 50.220 0.000 . 1 . . . A 83 ALA CA . 17586 1 880 . 1 1 83 83 ALA CB C 13 23.180 0.000 . 1 . . . A 83 ALA CB . 17586 1 881 . 1 1 83 83 ALA N N 15 125.110 0.000 . 1 . . . A 83 ALA N . 17586 1 882 . 1 1 84 84 ASP H H 1 8.506 0.000 . 1 . . . A 84 ASP H . 17586 1 883 . 1 1 84 84 ASP HA H 1 4.185 0.000 . 1 . . . A 84 ASP HA . 17586 1 884 . 1 1 84 84 ASP HB2 H 1 2.817 0.000 . 2 . . . A 84 ASP HB2 . 17586 1 885 . 1 1 84 84 ASP HB3 H 1 2.594 0.000 . 2 . . . A 84 ASP HB3 . 17586 1 886 . 1 1 84 84 ASP C C 13 177.630 0.000 . 1 . . . A 84 ASP C . 17586 1 887 . 1 1 84 84 ASP CA C 13 57.300 0.000 . 1 . . . A 84 ASP CA . 17586 1 888 . 1 1 84 84 ASP CB C 13 42.940 0.000 . 1 . . . A 84 ASP CB . 17586 1 889 . 1 1 84 84 ASP N N 15 118.190 0.000 . 1 . . . A 84 ASP N . 17586 1 890 . 1 1 85 85 GLY H H 1 9.319 0.000 . 1 . . . A 85 GLY H . 17586 1 891 . 1 1 85 85 GLY HA2 H 1 3.521 0.000 . 2 . . . A 85 GLY HA2 . 17586 1 892 . 1 1 85 85 GLY HA3 H 1 4.362 0.000 . 2 . . . A 85 GLY HA3 . 17586 1 893 . 1 1 85 85 GLY C C 13 174.400 0.000 . 1 . . . A 85 GLY C . 17586 1 894 . 1 1 85 85 GLY CA C 13 45.230 0.000 . 1 . . . A 85 GLY CA . 17586 1 895 . 1 1 85 85 GLY N N 15 116.260 0.000 . 1 . . . A 85 GLY N . 17586 1 896 . 1 1 86 86 ASP H H 1 8.099 0.000 . 1 . . . A 86 ASP H . 17586 1 897 . 1 1 86 86 ASP HA H 1 4.886 0.000 . 1 . . . A 86 ASP HA . 17586 1 898 . 1 1 86 86 ASP HB2 H 1 2.305 0.000 . 2 . . . A 86 ASP HB2 . 17586 1 899 . 1 1 86 86 ASP HB3 H 1 2.830 0.000 . 2 . . . A 86 ASP HB3 . 17586 1 900 . 1 1 86 86 ASP C C 13 175.040 0.000 . 1 . . . A 86 ASP C . 17586 1 901 . 1 1 86 86 ASP CA C 13 56.090 0.000 . 1 . . . A 86 ASP CA . 17586 1 902 . 1 1 86 86 ASP CB C 13 42.400 0.000 . 1 . . . A 86 ASP CB . 17586 1 903 . 1 1 86 86 ASP N N 15 122.410 0.000 . 1 . . . A 86 ASP N . 17586 1 904 . 1 1 87 87 VAL H H 1 8.076 0.000 . 1 . . . A 87 VAL H . 17586 1 905 . 1 1 87 87 VAL HA H 1 4.844 0.000 . 1 . . . A 87 VAL HA . 17586 1 906 . 1 1 87 87 VAL HB H 1 1.936 0.000 . 1 . . . A 87 VAL HB . 17586 1 907 . 1 1 87 87 VAL HG11 H 1 1.019 0.000 . . . . . A 87 VAL HG11 . 17586 1 908 . 1 1 87 87 VAL HG12 H 1 1.019 0.000 . . . . . A 87 VAL HG12 . 17586 1 909 . 1 1 87 87 VAL HG13 H 1 1.019 0.000 . . . . . A 87 VAL HG13 . 17586 1 910 . 1 1 87 87 VAL HG21 H 1 0.711 0.000 . . . . . A 87 VAL HG21 . 17586 1 911 . 1 1 87 87 VAL HG22 H 1 0.711 0.000 . . . . . A 87 VAL HG22 . 17586 1 912 . 1 1 87 87 VAL HG23 H 1 0.711 0.000 . . . . . A 87 VAL HG23 . 17586 1 913 . 1 1 87 87 VAL C C 13 176.840 0.000 . 1 . . . A 87 VAL C . 17586 1 914 . 1 1 87 87 VAL CA C 13 61.220 0.000 . 1 . . . A 87 VAL CA . 17586 1 915 . 1 1 87 87 VAL CB C 13 33.950 0.000 . 1 . . . A 87 VAL CB . 17586 1 916 . 1 1 87 87 VAL N N 15 117.660 0.000 . 1 . . . A 87 VAL N . 17586 1 917 . 1 1 88 88 ILE H H 1 9.859 0.000 . 1 . . . A 88 ILE H . 17586 1 918 . 1 1 88 88 ILE HA H 1 4.628 0.000 . 1 . . . A 88 ILE HA . 17586 1 919 . 1 1 88 88 ILE HB H 1 1.641 0.000 . 1 . . . A 88 ILE HB . 17586 1 920 . 1 1 88 88 ILE HG12 H 1 1.480 0.000 . 2 . . . A 88 ILE HG12 . 17586 1 921 . 1 1 88 88 ILE HG13 H 1 1.545 0.000 . 2 . . . A 88 ILE HG13 . 17586 1 922 . 1 1 88 88 ILE HG21 H 1 0.727 0.000 . . . . . A 88 ILE HG21 . 17586 1 923 . 1 1 88 88 ILE HG22 H 1 0.727 0.000 . . . . . A 88 ILE HG22 . 17586 1 924 . 1 1 88 88 ILE HG23 H 1 0.727 0.000 . . . . . A 88 ILE HG23 . 17586 1 925 . 1 1 88 88 ILE HD11 H 1 0.631 0.000 . . . . . A 88 ILE HD11 . 17586 1 926 . 1 1 88 88 ILE HD12 H 1 0.631 0.000 . . . . . A 88 ILE HD12 . 17586 1 927 . 1 1 88 88 ILE HD13 H 1 0.631 0.000 . . . . . A 88 ILE HD13 . 17586 1 928 . 1 1 88 88 ILE C C 13 175.000 0.000 . 1 . . . A 88 ILE C . 17586 1 929 . 1 1 88 88 ILE CA C 13 59.950 0.000 . 1 . . . A 88 ILE CA . 17586 1 930 . 1 1 88 88 ILE CB C 13 40.760 0.000 . 1 . . . A 88 ILE CB . 17586 1 931 . 1 1 88 88 ILE N N 15 132.430 0.000 . 1 . . . A 88 ILE N . 17586 1 932 . 1 1 89 89 ARG H H 1 8.967 0.000 . 1 . . . A 89 ARG H . 17586 1 933 . 1 1 89 89 ARG HA H 1 5.267 0.000 . 1 . . . A 89 ARG HA . 17586 1 934 . 1 1 89 89 ARG HB2 H 1 1.418 0.000 . 2 . . . A 89 ARG HB2 . 17586 1 935 . 1 1 89 89 ARG HB3 H 1 1.765 0.000 . 2 . . . A 89 ARG HB3 . 17586 1 936 . 1 1 89 89 ARG HG2 H 1 1.263 0.000 . 2 . . . A 89 ARG HG2 . 17586 1 937 . 1 1 89 89 ARG HG3 H 1 1.375 0.000 . 2 . . . A 89 ARG HG3 . 17586 1 938 . 1 1 89 89 ARG HD2 H 1 3.054 0.000 . 2 . . . A 89 ARG HD2 . 17586 1 939 . 1 1 89 89 ARG HD3 H 1 3.022 0.000 . 2 . . . A 89 ARG HD3 . 17586 1 940 . 1 1 89 89 ARG HE H 1 7.314 0.000 . 1 . . . A 89 ARG HE . 17586 1 941 . 1 1 89 89 ARG C C 13 174.440 0.000 . 1 . . . A 89 ARG C . 17586 1 942 . 1 1 89 89 ARG CA C 13 55.520 0.000 . 1 . . . A 89 ARG CA . 17586 1 943 . 1 1 89 89 ARG CB C 13 31.770 0.000 . 1 . . . A 89 ARG CB . 17586 1 944 . 1 1 89 89 ARG N N 15 126.510 0.000 . 1 . . . A 89 ARG N . 17586 1 945 . 1 1 89 89 ARG NE N 15 86.200 0.000 . 1 . . . A 89 ARG NE . 17586 1 946 . 1 1 90 90 LEU H H 1 8.076 0.000 . 1 . . . A 90 LEU H . 17586 1 947 . 1 1 90 90 LEU HA H 1 4.650 0.000 . 1 . . . A 90 LEU HA . 17586 1 948 . 1 1 90 90 LEU HB2 H 1 0.708 0.000 . 2 . . . A 90 LEU HB2 . 17586 1 949 . 1 1 90 90 LEU HB3 H 1 1.148 0.000 . 2 . . . A 90 LEU HB3 . 17586 1 950 . 1 1 90 90 LEU HG H 1 1.432 0.000 . 1 . . . A 90 LEU HG . 17586 1 951 . 1 1 90 90 LEU HD11 H 1 0.571 0.000 . . . . . A 90 LEU HD11 . 17586 1 952 . 1 1 90 90 LEU HD12 H 1 0.571 0.000 . . . . . A 90 LEU HD12 . 17586 1 953 . 1 1 90 90 LEU HD13 H 1 0.571 0.000 . . . . . A 90 LEU HD13 . 17586 1 954 . 1 1 90 90 LEU HD21 H 1 0.169 0.000 . . . . . A 90 LEU HD21 . 17586 1 955 . 1 1 90 90 LEU HD22 H 1 0.169 0.000 . . . . . A 90 LEU HD22 . 17586 1 956 . 1 1 90 90 LEU HD23 H 1 0.169 0.000 . . . . . A 90 LEU HD23 . 17586 1 957 . 1 1 90 90 LEU C C 13 175.020 0.000 . 1 . . . A 90 LEU C . 17586 1 958 . 1 1 90 90 LEU CA C 13 54.380 0.000 . 1 . . . A 90 LEU CA . 17586 1 959 . 1 1 90 90 LEU CB C 13 42.330 0.000 . 1 . . . A 90 LEU CB . 17586 1 960 . 1 1 90 90 LEU N N 15 125.630 0.000 . 1 . . . A 90 LEU N . 17586 1 961 . 1 1 91 91 GLY H H 1 9.883 0.000 . 1 . . . A 91 GLY H . 17586 1 962 . 1 1 91 91 GLY HA2 H 1 3.345 0.000 . 2 . . . A 91 GLY HA2 . 17586 1 963 . 1 1 91 91 GLY HA3 H 1 3.584 0.000 . 2 . . . A 91 GLY HA3 . 17586 1 964 . 1 1 91 91 GLY C C 13 175.080 0.000 . 1 . . . A 91 GLY C . 17586 1 965 . 1 1 91 91 GLY CA C 13 47.270 0.000 . 1 . . . A 91 GLY CA . 17586 1 966 . 1 1 91 91 GLY N N 15 114.380 0.000 . 1 . . . A 91 GLY N . 17586 1 967 . 1 1 92 92 HIS H H 1 10.774 0.000 . 1 . . . A 92 HIS H . 17586 1 968 . 1 1 92 92 HIS HA H 1 4.799 0.000 . 1 . . . A 92 HIS HA . 17586 1 969 . 1 1 92 92 HIS HB2 H 1 3.067 0.000 . 2 . . . A 92 HIS HB2 . 17586 1 970 . 1 1 92 92 HIS HB3 H 1 3.390 0.000 . 2 . . . A 92 HIS HB3 . 17586 1 971 . 1 1 92 92 HIS HD2 H 1 7.143 0.000 . 1 . . . A 92 HIS HD2 . 17586 1 972 . 1 1 92 92 HIS HE1 H 1 8.209 0.000 . 1 . . . A 92 HIS HE1 . 17586 1 973 . 1 1 92 92 HIS C C 13 175.080 0.000 . 1 . . . A 92 HIS C . 17586 1 974 . 1 1 92 92 HIS CA C 13 55.690 0.000 . 1 . . . A 92 HIS CA . 17586 1 975 . 1 1 92 92 HIS CB C 13 29.450 0.000 . 1 . . . A 92 HIS CB . 17586 1 976 . 1 1 92 92 HIS N N 15 130.440 0.000 . 1 . . . A 92 HIS N . 17586 1 977 . 1 1 93 93 SER H H 1 8.819 0.000 . 1 . . . A 93 SER H . 17586 1 978 . 1 1 93 93 SER HA H 1 4.722 0.000 . 1 . . . A 93 SER HA . 17586 1 979 . 1 1 93 93 SER HB2 H 1 3.387 0.000 . 2 . . . A 93 SER HB2 . 17586 1 980 . 1 1 93 93 SER HB3 H 1 3.842 0.000 . 2 . . . A 93 SER HB3 . 17586 1 981 . 1 1 93 93 SER C C 13 172.090 0.000 . 1 . . . A 93 SER C . 17586 1 982 . 1 1 93 93 SER CA C 13 59.740 0.000 . 1 . . . A 93 SER CA . 17586 1 983 . 1 1 93 93 SER CB C 13 65.710 0.000 . 1 . . . A 93 SER CB . 17586 1 984 . 1 1 93 93 SER N N 15 119.300 0.000 . 1 . . . A 93 SER N . 17586 1 985 . 1 1 94 94 GLU H H 1 8.584 0.000 . 1 . . . A 94 GLU H . 17586 1 986 . 1 1 94 94 GLU HA H 1 5.172 0.000 . 1 . . . A 94 GLU HA . 17586 1 987 . 1 1 94 94 GLU HB2 H 1 1.757 0.000 . 2 . . . A 94 GLU HB2 . 17586 1 988 . 1 1 94 94 GLU HB3 H 1 1.907 0.000 . 2 . . . A 94 GLU HB3 . 17586 1 989 . 1 1 94 94 GLU HG2 H 1 2.180 0.000 . 2 . . . A 94 GLU HG2 . 17586 1 990 . 1 1 94 94 GLU HG3 H 1 2.221 0.000 . 2 . . . A 94 GLU HG3 . 17586 1 991 . 1 1 94 94 GLU C C 13 174.550 0.000 . 1 . . . A 94 GLU C . 17586 1 992 . 1 1 94 94 GLU CA C 13 55.020 0.000 . 1 . . . A 94 GLU CA . 17586 1 993 . 1 1 94 94 GLU CB C 13 32.720 0.000 . 1 . . . A 94 GLU CB . 17586 1 994 . 1 1 94 94 GLU N N 15 123.000 0.000 . 1 . . . A 94 GLU N . 17586 1 995 . 1 1 95 95 ILE H H 1 9.366 0.000 . 1 . . . A 95 ILE H . 17586 1 996 . 1 1 95 95 ILE HA H 1 4.810 0.000 . 1 . . . A 95 ILE HA . 17586 1 997 . 1 1 95 95 ILE HB H 1 1.545 0.000 . 1 . . . A 95 ILE HB . 17586 1 998 . 1 1 95 95 ILE HG12 H 1 1.430 0.000 . 2 . . . A 95 ILE HG12 . 17586 1 999 . 1 1 95 95 ILE HG13 H 1 1.657 0.000 . 2 . . . A 95 ILE HG13 . 17586 1 1000 . 1 1 95 95 ILE HG21 H 1 0.705 0.000 . . . . . A 95 ILE HG21 . 17586 1 1001 . 1 1 95 95 ILE HG22 H 1 0.705 0.000 . . . . . A 95 ILE HG22 . 17586 1 1002 . 1 1 95 95 ILE HG23 H 1 0.705 0.000 . . . . . A 95 ILE HG23 . 17586 1 1003 . 1 1 95 95 ILE HD11 H 1 0.780 0.000 . . . . . A 95 ILE HD11 . 17586 1 1004 . 1 1 95 95 ILE HD12 H 1 0.780 0.000 . . . . . A 95 ILE HD12 . 17586 1 1005 . 1 1 95 95 ILE HD13 H 1 0.780 0.000 . . . . . A 95 ILE HD13 . 17586 1 1006 . 1 1 95 95 ILE C C 13 174.050 0.000 . 1 . . . A 95 ILE C . 17586 1 1007 . 1 1 95 95 ILE CA C 13 59.380 0.000 . 1 . . . A 95 ILE CA . 17586 1 1008 . 1 1 95 95 ILE CB C 13 42.400 0.000 . 1 . . . A 95 ILE CB . 17586 1 1009 . 1 1 95 95 ILE N N 15 122.760 0.000 . 1 . . . A 95 ILE N . 17586 1 1010 . 1 1 96 96 ILE H H 1 9.179 0.000 . 1 . . . A 96 ILE H . 17586 1 1011 . 1 1 96 96 ILE HA H 1 4.695 0.000 . 1 . . . A 96 ILE HA . 17586 1 1012 . 1 1 96 96 ILE HB H 1 1.697 0.000 . 1 . . . A 96 ILE HB . 17586 1 1013 . 1 1 96 96 ILE HG12 H 1 1.562 0.000 . 2 . . . A 96 ILE HG12 . 17586 1 1014 . 1 1 96 96 ILE HG13 H 1 1.668 0.000 . 2 . . . A 96 ILE HG13 . 17586 1 1015 . 1 1 96 96 ILE HG21 H 1 0.797 0.000 . . . . . A 96 ILE HG21 . 17586 1 1016 . 1 1 96 96 ILE HG22 H 1 0.797 0.000 . . . . . A 96 ILE HG22 . 17586 1 1017 . 1 1 96 96 ILE HG23 H 1 0.797 0.000 . . . . . A 96 ILE HG23 . 17586 1 1018 . 1 1 96 96 ILE HD11 H 1 1.111 0.000 . . . . . A 96 ILE HD11 . 17586 1 1019 . 1 1 96 96 ILE HD12 H 1 1.111 0.000 . . . . . A 96 ILE HD12 . 17586 1 1020 . 1 1 96 96 ILE HD13 H 1 1.111 0.000 . . . . . A 96 ILE HD13 . 17586 1 1021 . 1 1 96 96 ILE C C 13 175.770 0.000 . 1 . . . A 96 ILE C . 17586 1 1022 . 1 1 96 96 ILE CA C 13 60.820 0.000 . 1 . . . A 96 ILE CA . 17586 1 1023 . 1 1 96 96 ILE CB C 13 40.700 0.000 . 1 . . . A 96 ILE CB . 17586 1 1024 . 1 1 96 96 ILE N N 15 127.980 0.000 . 1 . . . A 96 ILE N . 17586 1 1025 . 1 1 97 97 VAL H H 1 8.780 0.000 . 1 . . . A 97 VAL H . 17586 1 1026 . 1 1 97 97 VAL HA H 1 4.183 0.000 . 1 . . . A 97 VAL HA . 17586 1 1027 . 1 1 97 97 VAL HB H 1 2.343 0.000 . 1 . . . A 97 VAL HB . 17586 1 1028 . 1 1 97 97 VAL HG11 H 1 0.941 0.000 . . . . . A 97 VAL HG11 . 17586 1 1029 . 1 1 97 97 VAL HG12 H 1 0.941 0.000 . . . . . A 97 VAL HG12 . 17586 1 1030 . 1 1 97 97 VAL HG13 H 1 0.941 0.000 . . . . . A 97 VAL HG13 . 17586 1 1031 . 1 1 97 97 VAL HG21 H 1 0.679 0.000 . . . . . A 97 VAL HG21 . 17586 1 1032 . 1 1 97 97 VAL HG22 H 1 0.679 0.000 . . . . . A 97 VAL HG22 . 17586 1 1033 . 1 1 97 97 VAL HG23 H 1 0.679 0.000 . . . . . A 97 VAL HG23 . 17586 1 1034 . 1 1 97 97 VAL C C 13 175.060 0.000 . 1 . . . A 97 VAL C . 17586 1 1035 . 1 1 97 97 VAL CA C 13 62.800 0.000 . 1 . . . A 97 VAL CA . 17586 1 1036 . 1 1 97 97 VAL CB C 13 32.520 0.000 . 1 . . . A 97 VAL CB . 17586 1 1037 . 1 1 97 97 VAL N N 15 128.620 0.000 . 1 . . . A 97 VAL N . 17586 1 1038 . 1 1 98 98 ARG H H 1 8.991 0.000 . 1 . . . A 98 ARG H . 17586 1 1039 . 1 1 98 98 ARG HA H 1 5.128 0.000 . 1 . . . A 98 ARG HA . 17586 1 1040 . 1 1 98 98 ARG HB2 H 1 1.633 0.000 . 2 . . . A 98 ARG HB2 . 17586 1 1041 . 1 1 98 98 ARG HB3 H 1 1.748 0.000 . 2 . . . A 98 ARG HB3 . 17586 1 1042 . 1 1 98 98 ARG HG2 H 1 1.425 0.000 . 2 . . . A 98 ARG HG2 . 17586 1 1043 . 1 1 98 98 ARG HG3 H 1 1.550 0.000 . 2 . . . A 98 ARG HG3 . 17586 1 1044 . 1 1 98 98 ARG HD2 H 1 3.125 0.000 . 2 . . . A 98 ARG HD2 . 17586 1 1045 . 1 1 98 98 ARG HD3 H 1 3.185 0.000 . 2 . . . A 98 ARG HD3 . 17586 1 1046 . 1 1 98 98 ARG HE H 1 7.370 0.000 . 1 . . . A 98 ARG HE . 17586 1 1047 . 1 1 98 98 ARG C C 13 175.140 0.000 . 1 . . . A 98 ARG C . 17586 1 1048 . 1 1 98 98 ARG CA C 13 53.410 0.000 . 1 . . . A 98 ARG CA . 17586 1 1049 . 1 1 98 98 ARG CB C 13 32.110 0.000 . 1 . . . A 98 ARG CB . 17586 1 1050 . 1 1 98 98 ARG N N 15 127.390 0.000 . 1 . . . A 98 ARG N . 17586 1 1051 . 1 1 98 98 ARG NE N 15 84.380 0.000 . 1 . . . A 98 ARG NE . 17586 1 1052 . 1 1 99 99 MET H H 1 9.241 0.000 . 1 . . . A 99 MET H . 17586 1 1053 . 1 1 99 99 MET HA H 1 5.049 0.000 . 1 . . . A 99 MET HA . 17586 1 1054 . 1 1 99 99 MET HB2 H 1 2.075 0.000 . 2 . . . A 99 MET HB2 . 17586 1 1055 . 1 1 99 99 MET HB3 H 1 1.748 0.000 . 2 . . . A 99 MET HB3 . 17586 1 1056 . 1 1 99 99 MET HG2 H 1 2.389 0.000 . 2 . . . A 99 MET HG2 . 17586 1 1057 . 1 1 99 99 MET HG3 H 1 2.411 0.000 . 2 . . . A 99 MET HG3 . 17586 1 1058 . 1 1 99 99 MET HE1 H 1 2.243 0.000 . . . . . A 99 MET HE1 . 17586 1 1059 . 1 1 99 99 MET HE2 H 1 2.243 0.000 . . . . . A 99 MET HE2 . 17586 1 1060 . 1 1 99 99 MET HE3 H 1 2.243 0.000 . . . . . A 99 MET HE3 . 17586 1 1061 . 1 1 99 99 MET C C 13 174.840 0.000 . 1 . . . A 99 MET C . 17586 1 1062 . 1 1 99 99 MET CA C 13 55.220 0.000 . 1 . . . A 99 MET CA . 17586 1 1063 . 1 1 99 99 MET CB C 13 34.760 0.000 . 1 . . . A 99 MET CB . 17586 1 1064 . 1 1 99 99 MET N N 15 125.750 0.000 . 1 . . . A 99 MET N . 17586 1 1065 . 1 1 100 100 HIS H H 1 8.381 0.000 . 1 . . . A 100 HIS H . 17586 1 1066 . 1 1 100 100 HIS HA H 1 4.492 0.000 . 1 . . . A 100 HIS HA . 17586 1 1067 . 1 1 100 100 HIS HB2 H 1 3.043 0.000 . 2 . . . A 100 HIS HB2 . 17586 1 1068 . 1 1 100 100 HIS HB3 H 1 3.153 0.000 . 2 . . . A 100 HIS HB3 . 17586 1 1069 . 1 1 100 100 HIS HD2 H 1 6.926 0.000 . 1 . . . A 100 HIS HD2 . 17586 1 1070 . 1 1 100 100 HIS HE1 H 1 7.971 0.000 . 1 . . . A 100 HIS HE1 . 17586 1 1071 . 1 1 100 100 HIS C C 13 178.850 0.000 . 1 . . . A 100 HIS C . 17586 1 1072 . 1 1 100 100 HIS CA C 13 57.330 0.000 . 1 . . . A 100 HIS CA . 17586 1 1073 . 1 1 100 100 HIS CB C 13 31.080 0.000 . 1 . . . A 100 HIS CB . 17586 1 1074 . 1 1 100 100 HIS N N 15 125.520 0.000 . 1 . . . A 100 HIS N . 17586 1 stop_ save_