data_18602 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18602 _Entry.Title ; Solution structure of the soluble domain of MmpS4 from Mycobacterium tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-19 _Entry.Accession_date 2012-07-19 _Entry.Last_release_date 2013-03-11 _Entry.Original_release_date 2013-03-11 _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 Zhaoyong Xi . . . 18602 2 Peibei Sun . . . 18602 3 Wei Wang . . . 18602 4 Chaohua Lai . . . 18602 5 Fangming Wu . . . 18602 6 Changlin Tian . . . 18602 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' . 18602 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MmpS4 . 18602 'Mycobacterium tuberculosis' . 18602 'soluble domain' . 18602 'solution structure' . 18602 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18602 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 18602 '15N chemical shifts' 74 18602 '1H chemical shifts' 453 18602 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 . . 2013-03-11 2012-07-19 original author . 18602 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LW3 'BMRB Entry Tracking System' 18602 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18602 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23431276 _Citation.Full_citation . _Citation.Title 'Discovery of a Siderophore Export System Essential for Virulence of Mycobacterium tuberculosis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos Pathog.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _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 e1003120 _Citation.Page_last e1003120 _Citation.Year 2013 _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 Ryan Wells . M. . 18602 1 2 Christopher Jones . M. . 18602 1 3 Zhaoyong Xi . . . 18602 1 4 Alexander Speer . . . 18602 1 5 Olga Danilchanka . . . 18602 1 6 Kathryn Doornbos . S. . 18602 1 7 Peibei Sun . . . 18602 1 8 Fangming Wu . . . 18602 1 9 Changlin Tian . . . 18602 1 10 Michael Niederweis . . . 18602 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18602 _Assembly.ID 1 _Assembly.Name 'soluble domain of MmpS4' _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 'soluble domain of MmpS4' 1 $MmpS4 A . yes native no no . . . 18602 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MmpS4 _Entity.Sf_category entity _Entity.Sf_framecode MmpS4 _Entity.Entry_ID 18602 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'soluble domain of MmpS4' _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 ; MHLTYEIFGPPGTVADISYF DVNSEPQRVDGAVLPWSLHI TTNDAAVMGNIVAQGNSDSI GCRITVDGKVRAERVSNEVN AYTYCLVKSA ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9725.934 _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 BMRB 18109 . MmpS4 . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 2 no PDB 2LW3 . "Solution Structure Of The Soluble Domain Of Mmps4 From Mycobacterium Tuberculosis" . . . . . 100.00 90 100.00 100.00 3.57e-59 . . . . 18602 1 3 no DBJ BAH24756 . "putative membrane protein [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 4 no DBJ BAL64310 . "membrane protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 98.89 138 100.00 100.00 1.89e-57 . . . . 18602 1 5 no DBJ BAQ04318 . "membrane protein [Mycobacterium tuberculosis str. Kurono]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 6 no EMBL CAL70475 . "Probable conserved membrane protein mmpS4 [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 7 no EMBL CCC25525 . "putative conserved membrane protein MMPS4 [Mycobacterium africanum GM041182]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 8 no EMBL CCC42789 . "putative conserved membrane protein MMPS4 [Mycobacterium canettii CIPT 140010059]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 9 no EMBL CCC63051 . "probable conserved membrane protein mmpS4 [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 10 no EMBL CCE35989 . "mmpS4 [Mycobacterium tuberculosis UT205]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 11 no GB AAK44690 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 12 no GB ABQ72177 . "putative conserved membrane protein MmpS4 [Mycobacterium tuberculosis H37Ra]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 13 no GB ABR04800 . "membrane protein mmpS4 [Mycobacterium tuberculosis F11]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 14 no GB ACT23482 . "membrane protein mmpS4 [Mycobacterium tuberculosis KZN 1435]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 15 no GB AEB02585 . "membrane protein mmpS4 [Mycobacterium tuberculosis KZN 4207]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 16 no REF NP_214965 . "membrane protein MmpS4 [Mycobacterium tuberculosis H37Rv]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 17 no REF NP_854122 . "hypothetical protein Mb0459c [Mycobacterium bovis AF2122/97]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 18 no REF WP_003402272 . "MULTISPECIES: membrane protein [Mycobacterium tuberculosis complex]" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 19 no REF WP_015456133 . "MULTISPECIES: membrane protein [Mycobacterium]" . . . . . 98.89 138 100.00 100.00 1.89e-57 . . . . 18602 1 20 no REF WP_016719779 . "membrane protein, partial [Mycobacterium tuberculosis]" . . . . . 98.89 110 100.00 100.00 3.73e-58 . . . . 18602 1 21 no SP P0A5K3 . "RecName: Full=Probable transport accessory protein MmpS4; AltName: Full=PGB14T-X" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 22 no SP P9WJS8 . "RecName: Full=Siderophore export accessory protein MmpS4; AltName: Full=PGB14T-X" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 1 23 no SP P9WJS9 . "RecName: Full=Siderophore export accessory protein MmpS4; AltName: Full=PGB14T-X" . . . . . 98.89 140 100.00 100.00 2.01e-57 . . . . 18602 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 51 MET . 18602 1 2 52 HIS . 18602 1 3 53 LEU . 18602 1 4 54 THR . 18602 1 5 55 TYR . 18602 1 6 56 GLU . 18602 1 7 57 ILE . 18602 1 8 58 PHE . 18602 1 9 59 GLY . 18602 1 10 60 PRO . 18602 1 11 61 PRO . 18602 1 12 62 GLY . 18602 1 13 63 THR . 18602 1 14 64 VAL . 18602 1 15 65 ALA . 18602 1 16 66 ASP . 18602 1 17 67 ILE . 18602 1 18 68 SER . 18602 1 19 69 TYR . 18602 1 20 70 PHE . 18602 1 21 71 ASP . 18602 1 22 72 VAL . 18602 1 23 73 ASN . 18602 1 24 74 SER . 18602 1 25 75 GLU . 18602 1 26 76 PRO . 18602 1 27 77 GLN . 18602 1 28 78 ARG . 18602 1 29 79 VAL . 18602 1 30 80 ASP . 18602 1 31 81 GLY . 18602 1 32 82 ALA . 18602 1 33 83 VAL . 18602 1 34 84 LEU . 18602 1 35 85 PRO . 18602 1 36 86 TRP . 18602 1 37 87 SER . 18602 1 38 88 LEU . 18602 1 39 89 HIS . 18602 1 40 90 ILE . 18602 1 41 91 THR . 18602 1 42 92 THR . 18602 1 43 93 ASN . 18602 1 44 94 ASP . 18602 1 45 95 ALA . 18602 1 46 96 ALA . 18602 1 47 97 VAL . 18602 1 48 98 MET . 18602 1 49 99 GLY . 18602 1 50 100 ASN . 18602 1 51 101 ILE . 18602 1 52 102 VAL . 18602 1 53 103 ALA . 18602 1 54 104 GLN . 18602 1 55 105 GLY . 18602 1 56 106 ASN . 18602 1 57 107 SER . 18602 1 58 108 ASP . 18602 1 59 109 SER . 18602 1 60 110 ILE . 18602 1 61 111 GLY . 18602 1 62 112 CYS . 18602 1 63 113 ARG . 18602 1 64 114 ILE . 18602 1 65 115 THR . 18602 1 66 116 VAL . 18602 1 67 117 ASP . 18602 1 68 118 GLY . 18602 1 69 119 LYS . 18602 1 70 120 VAL . 18602 1 71 121 ARG . 18602 1 72 122 ALA . 18602 1 73 123 GLU . 18602 1 74 124 ARG . 18602 1 75 125 VAL . 18602 1 76 126 SER . 18602 1 77 127 ASN . 18602 1 78 128 GLU . 18602 1 79 129 VAL . 18602 1 80 130 ASN . 18602 1 81 131 ALA . 18602 1 82 132 TYR . 18602 1 83 133 THR . 18602 1 84 134 TYR . 18602 1 85 135 CYS . 18602 1 86 136 LEU . 18602 1 87 137 VAL . 18602 1 88 138 LYS . 18602 1 89 139 SER . 18602 1 90 140 ALA . 18602 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 . MET 1 1 18602 1 . HIS 2 2 18602 1 . LEU 3 3 18602 1 . THR 4 4 18602 1 . TYR 5 5 18602 1 . GLU 6 6 18602 1 . ILE 7 7 18602 1 . PHE 8 8 18602 1 . GLY 9 9 18602 1 . PRO 10 10 18602 1 . PRO 11 11 18602 1 . GLY 12 12 18602 1 . THR 13 13 18602 1 . VAL 14 14 18602 1 . ALA 15 15 18602 1 . ASP 16 16 18602 1 . ILE 17 17 18602 1 . SER 18 18 18602 1 . TYR 19 19 18602 1 . PHE 20 20 18602 1 . ASP 21 21 18602 1 . VAL 22 22 18602 1 . ASN 23 23 18602 1 . SER 24 24 18602 1 . GLU 25 25 18602 1 . PRO 26 26 18602 1 . GLN 27 27 18602 1 . ARG 28 28 18602 1 . VAL 29 29 18602 1 . ASP 30 30 18602 1 . GLY 31 31 18602 1 . ALA 32 32 18602 1 . VAL 33 33 18602 1 . LEU 34 34 18602 1 . PRO 35 35 18602 1 . TRP 36 36 18602 1 . SER 37 37 18602 1 . LEU 38 38 18602 1 . HIS 39 39 18602 1 . ILE 40 40 18602 1 . THR 41 41 18602 1 . THR 42 42 18602 1 . ASN 43 43 18602 1 . ASP 44 44 18602 1 . ALA 45 45 18602 1 . ALA 46 46 18602 1 . VAL 47 47 18602 1 . MET 48 48 18602 1 . GLY 49 49 18602 1 . ASN 50 50 18602 1 . ILE 51 51 18602 1 . VAL 52 52 18602 1 . ALA 53 53 18602 1 . GLN 54 54 18602 1 . GLY 55 55 18602 1 . ASN 56 56 18602 1 . SER 57 57 18602 1 . ASP 58 58 18602 1 . SER 59 59 18602 1 . ILE 60 60 18602 1 . GLY 61 61 18602 1 . CYS 62 62 18602 1 . ARG 63 63 18602 1 . ILE 64 64 18602 1 . THR 65 65 18602 1 . VAL 66 66 18602 1 . ASP 67 67 18602 1 . GLY 68 68 18602 1 . LYS 69 69 18602 1 . VAL 70 70 18602 1 . ARG 71 71 18602 1 . ALA 72 72 18602 1 . GLU 73 73 18602 1 . ARG 74 74 18602 1 . VAL 75 75 18602 1 . SER 76 76 18602 1 . ASN 77 77 18602 1 . GLU 78 78 18602 1 . VAL 79 79 18602 1 . ASN 80 80 18602 1 . ALA 81 81 18602 1 . TYR 82 82 18602 1 . THR 83 83 18602 1 . TYR 84 84 18602 1 . CYS 85 85 18602 1 . LEU 86 86 18602 1 . VAL 87 87 18602 1 . LYS 88 88 18602 1 . SER 89 89 18602 1 . ALA 90 90 18602 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 18602 _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 $MmpS4 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 18602 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 18602 _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 $MmpS4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-21b . . . . . . 18602 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18602 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MmpS4 '[U-100% 13C; U-100% 15N]' . . 1 $MmpS4 . . . 0.2 0.5 mM . . . . 18602 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18602 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18602 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18602 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18602 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18602 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MmpS4 '[U-100% 15N]' . . 1 $MmpS4 . . . 0.2 0.5 mM . . . . 18602 2 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18602 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18602 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18602 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18602 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18602 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MmpS4 '[U-100% 13C; U-100% 15N]' . . 1 $MmpS4 . . . 0.2 0.5 mM . . . . 18602 3 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18602 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18602 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18602 3 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 18602 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.108 . M 18602 1 pH 7.5 . pH 18602 1 pressure 1 . atm 18602 1 temperature 298 . K 18602 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18602 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.108 . M 18602 2 pH 7.5 . pH 18602 2 pressure 1 . atm 18602 2 temperature 298 . K 18602 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 18602 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.108 . M 18602 3 pH 7.5 . pH 18602 3 pressure 1 . atm 18602 3 temperature 298 . K 18602 3 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18602 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18602 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18602 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18602 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18602 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18602 2 'data analysis' 18602 2 'peak picking' 18602 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18602 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18602 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18602 3 'peak picking' 18602 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18602 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18602 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18602 4 'structure solution' 18602 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 18602 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18602 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18602 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 18602 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 18602 1 2 spectrometer_2 Varian INOVA . 700 . . . 18602 1 3 spectrometer_3 Bruker Avance . 850 . . . 18602 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 18602 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18602 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 18602 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . . . . . . . . . . . . . . . . . . . 18602 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18602 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 18602 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18602 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18602 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18602 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 18602 _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 '2D 1H-15N HSQC' . . . 18602 1 3 '3D CBCA(CO)NH' . . . 18602 1 4 '3D HNCO' . . . 18602 1 5 '3D HNCA' . . . 18602 1 6 '3D HNCACB' . . . 18602 1 7 '3D HBHA(CO)NH' . . . 18602 1 8 '3D H(CCO)NH' . . . 18602 1 9 '3D HCCH-TOCSY' . . . 18602 1 12 '3D HCCH-COSY' . . . 18602 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 MET HA H 1 4.475 . . 1 . . . A 51 MET HA . 18602 1 2 . 1 1 1 1 MET HB2 H 1 2.164 . . 2 . . . A 51 MET HB2 . 18602 1 3 . 1 1 1 1 MET HB3 H 1 2.164 . . 2 . . . A 51 MET HB3 . 18602 1 4 . 1 1 1 1 MET HG2 H 1 2.382 . . 2 . . . A 51 MET HG2 . 18602 1 5 . 1 1 1 1 MET HG3 H 1 2.527 . . 2 . . . A 51 MET HG3 . 18602 1 6 . 1 1 1 1 MET HE1 H 1 2.382 . . 1 . . . A 51 MET HE1 . 18602 1 7 . 1 1 1 1 MET HE2 H 1 2.382 . . 1 . . . A 51 MET HE2 . 18602 1 8 . 1 1 1 1 MET HE3 H 1 2.382 . . 1 . . . A 51 MET HE3 . 18602 1 9 . 1 1 1 1 MET C C 13 171.560 . . 1 . . . A 51 MET C . 18602 1 10 . 1 1 1 1 MET CA C 13 55.016 . . 1 . . . A 51 MET CA . 18602 1 11 . 1 1 1 1 MET CB C 13 33.823 . . 1 . . . A 51 MET CB . 18602 1 12 . 1 1 1 1 MET CG C 13 31.050 . . 1 . . . A 51 MET CG . 18602 1 13 . 1 1 2 2 HIS H H 1 9.405 . . 1 . . . A 52 HIS H . 18602 1 14 . 1 1 2 2 HIS HA H 1 5.258 . . 1 . . . A 52 HIS HA . 18602 1 15 . 1 1 2 2 HIS HB2 H 1 3.205 . . 2 . . . A 52 HIS HB2 . 18602 1 16 . 1 1 2 2 HIS HB3 H 1 2.964 . . 2 . . . A 52 HIS HB3 . 18602 1 17 . 1 1 2 2 HIS C C 13 173.359 . . 1 . . . A 52 HIS C . 18602 1 18 . 1 1 2 2 HIS CA C 13 55.016 . . 1 . . . A 52 HIS CA . 18602 1 19 . 1 1 2 2 HIS CB C 13 32.296 . . 1 . . . A 52 HIS CB . 18602 1 20 . 1 1 2 2 HIS N N 15 126.512 . . 1 . . . A 52 HIS N . 18602 1 21 . 1 1 3 3 LEU H H 1 9.398 . . 1 . . . A 53 LEU H . 18602 1 22 . 1 1 3 3 LEU HA H 1 5.211 . . 1 . . . A 53 LEU HA . 18602 1 23 . 1 1 3 3 LEU HB2 H 1 1.381 . . 2 . . . A 53 LEU HB2 . 18602 1 24 . 1 1 3 3 LEU HB3 H 1 1.302 . . 2 . . . A 53 LEU HB3 . 18602 1 25 . 1 1 3 3 LEU HG H 1 1.138 . . 1 . . . A 53 LEU HG . 18602 1 26 . 1 1 3 3 LEU HD11 H 1 0.051 . . 2 . . . A 53 LEU HD11 . 18602 1 27 . 1 1 3 3 LEU HD12 H 1 0.051 . . 2 . . . A 53 LEU HD12 . 18602 1 28 . 1 1 3 3 LEU HD13 H 1 0.051 . . 2 . . . A 53 LEU HD13 . 18602 1 29 . 1 1 3 3 LEU HD21 H 1 0.502 . . 2 . . . A 53 LEU HD21 . 18602 1 30 . 1 1 3 3 LEU HD22 H 1 0.502 . . 2 . . . A 53 LEU HD22 . 18602 1 31 . 1 1 3 3 LEU HD23 H 1 0.502 . . 2 . . . A 53 LEU HD23 . 18602 1 32 . 1 1 3 3 LEU C C 13 174.211 . . 1 . . . A 53 LEU C . 18602 1 33 . 1 1 3 3 LEU CA C 13 54.152 . . 1 . . . A 53 LEU CA . 18602 1 34 . 1 1 3 3 LEU CB C 13 44.860 . . 1 . . . A 53 LEU CB . 18602 1 35 . 1 1 3 3 LEU CG C 13 26.771 . . 1 . . . A 53 LEU CG . 18602 1 36 . 1 1 3 3 LEU CD1 C 13 24.343 . . 2 . . . A 53 LEU CD1 . 18602 1 37 . 1 1 3 3 LEU CD2 C 13 26.425 . . 2 . . . A 53 LEU CD2 . 18602 1 38 . 1 1 3 3 LEU N N 15 132.056 . . 1 . . . A 53 LEU N . 18602 1 39 . 1 1 4 4 THR H H 1 9.197 . . 1 . . . A 54 THR H . 18602 1 40 . 1 1 4 4 THR HA H 1 5.248 . . 1 . . . A 54 THR HA . 18602 1 41 . 1 1 4 4 THR HB H 1 3.717 . . 1 . . . A 54 THR HB . 18602 1 42 . 1 1 4 4 THR HG21 H 1 0.819 . . 1 . . . A 54 THR HG21 . 18602 1 43 . 1 1 4 4 THR HG22 H 1 0.819 . . 1 . . . A 54 THR HG22 . 18602 1 44 . 1 1 4 4 THR HG23 H 1 0.819 . . 1 . . . A 54 THR HG23 . 18602 1 45 . 1 1 4 4 THR C C 13 174.349 . . 1 . . . A 54 THR C . 18602 1 46 . 1 1 4 4 THR CA C 13 61.361 . . 1 . . . A 54 THR CA . 18602 1 47 . 1 1 4 4 THR CB C 13 71.426 . . 1 . . . A 54 THR CB . 18602 1 48 . 1 1 4 4 THR CG2 C 13 21.413 . . 1 . . . A 54 THR CG2 . 18602 1 49 . 1 1 4 4 THR N N 15 121.585 . . 1 . . . A 54 THR N . 18602 1 50 . 1 1 5 5 TYR H H 1 9.021 . . 1 . . . A 55 TYR H . 18602 1 51 . 1 1 5 5 TYR HA H 1 5.200 . . 1 . . . A 55 TYR HA . 18602 1 52 . 1 1 5 5 TYR HB2 H 1 2.847 . . 2 . . . A 55 TYR HB2 . 18602 1 53 . 1 1 5 5 TYR HB3 H 1 3.018 . . 2 . . . A 55 TYR HB3 . 18602 1 54 . 1 1 5 5 TYR C C 13 175.510 . . 1 . . . A 55 TYR C . 18602 1 55 . 1 1 5 5 TYR CA C 13 56.302 . . 1 . . . A 55 TYR CA . 18602 1 56 . 1 1 5 5 TYR CB C 13 42.749 . . 1 . . . A 55 TYR CB . 18602 1 57 . 1 1 5 5 TYR N N 15 126.047 . . 1 . . . A 55 TYR N . 18602 1 58 . 1 1 6 6 GLU H H 1 8.839 . . 1 . . . A 56 GLU H . 18602 1 59 . 1 1 6 6 GLU HA H 1 5.210 . . 1 . . . A 56 GLU HA . 18602 1 60 . 1 1 6 6 GLU HB2 H 1 2.170 . . 2 . . . A 56 GLU HB2 . 18602 1 61 . 1 1 6 6 GLU HB3 H 1 2.044 . . 2 . . . A 56 GLU HB3 . 18602 1 62 . 1 1 6 6 GLU HG3 H 1 1.345 . . 2 . . . A 56 GLU HG3 . 18602 1 63 . 1 1 6 6 GLU CA C 13 56.031 . . 1 . . . A 56 GLU CA . 18602 1 64 . 1 1 6 6 GLU CB C 13 35.791 . . 1 . . . A 56 GLU CB . 18602 1 65 . 1 1 6 6 GLU N N 15 118.604 . . 1 . . . A 56 GLU N . 18602 1 66 . 1 1 7 7 ILE H H 1 9.197 . . 1 . . . A 57 ILE H . 18602 1 67 . 1 1 7 7 ILE HA H 1 5.120 . . 1 . . . A 57 ILE HA . 18602 1 68 . 1 1 7 7 ILE HB H 1 2.060 . . 1 . . . A 57 ILE HB . 18602 1 69 . 1 1 7 7 ILE HG12 H 1 1.726 . . 2 . . . A 57 ILE HG12 . 18602 1 70 . 1 1 7 7 ILE HG13 H 1 0.941 . . 2 . . . A 57 ILE HG13 . 18602 1 71 . 1 1 7 7 ILE HG21 H 1 0.636 . . 1 . . . A 57 ILE HG21 . 18602 1 72 . 1 1 7 7 ILE HG22 H 1 0.636 . . 1 . . . A 57 ILE HG22 . 18602 1 73 . 1 1 7 7 ILE HG23 H 1 0.636 . . 1 . . . A 57 ILE HG23 . 18602 1 74 . 1 1 7 7 ILE HD11 H 1 0.679 . . 1 . . . A 57 ILE HD11 . 18602 1 75 . 1 1 7 7 ILE HD12 H 1 0.679 . . 1 . . . A 57 ILE HD12 . 18602 1 76 . 1 1 7 7 ILE HD13 H 1 0.679 . . 1 . . . A 57 ILE HD13 . 18602 1 77 . 1 1 7 7 ILE C C 13 174.177 . . 1 . . . A 57 ILE C . 18602 1 78 . 1 1 7 7 ILE CA C 13 57.569 . . 1 . . . A 57 ILE CA . 18602 1 79 . 1 1 7 7 ILE CB C 13 37.253 . . 1 . . . A 57 ILE CB . 18602 1 80 . 1 1 7 7 ILE CG1 C 13 26.348 . . 1 . . . A 57 ILE CG1 . 18602 1 81 . 1 1 7 7 ILE CG2 C 13 17.942 . . 1 . . . A 57 ILE CG2 . 18602 1 82 . 1 1 7 7 ILE CD1 C 13 9.987 . . 1 . . . A 57 ILE CD1 . 18602 1 83 . 1 1 7 7 ILE N N 15 121.585 . . 1 . . . A 57 ILE N . 18602 1 84 . 1 1 8 8 PHE H H 1 8.006 . . 1 . . . A 58 PHE H . 18602 1 85 . 1 1 8 8 PHE HA H 1 5.461 . . 1 . . . A 58 PHE HA . 18602 1 86 . 1 1 8 8 PHE HB2 H 1 3.137 . . 2 . . . A 58 PHE HB2 . 18602 1 87 . 1 1 8 8 PHE HB3 H 1 2.983 . . 2 . . . A 58 PHE HB3 . 18602 1 88 . 1 1 8 8 PHE C C 13 177.250 . . 1 . . . A 58 PHE C . 18602 1 89 . 1 1 8 8 PHE CA C 13 54.667 . . 1 . . . A 58 PHE CA . 18602 1 90 . 1 1 8 8 PHE CB C 13 41.574 . . 1 . . . A 58 PHE CB . 18602 1 91 . 1 1 8 8 PHE N N 15 123.827 . . 1 . . . A 58 PHE N . 18602 1 92 . 1 1 9 9 GLY H H 1 9.032 . . 1 . . . A 59 GLY H . 18602 1 93 . 1 1 9 9 GLY HA2 H 1 4.315 . . 2 . . . A 59 GLY HA2 . 18602 1 94 . 1 1 9 9 GLY HA3 H 1 3.847 . . 2 . . . A 59 GLY HA3 . 18602 1 95 . 1 1 9 9 GLY CA C 13 45.253 . . 1 . . . A 59 GLY CA . 18602 1 96 . 1 1 9 9 GLY N N 15 106.485 . . 1 . . . A 59 GLY N . 18602 1 97 . 1 1 11 11 PRO HA H 1 4.413 . . 1 . . . A 61 PRO HA . 18602 1 98 . 1 1 11 11 PRO HB2 H 1 2.340 . . 2 . . . A 61 PRO HB2 . 18602 1 99 . 1 1 11 11 PRO HB3 H 1 1.904 . . 2 . . . A 61 PRO HB3 . 18602 1 100 . 1 1 11 11 PRO HG2 H 1 2.178 . . 2 . . . A 61 PRO HG2 . 18602 1 101 . 1 1 11 11 PRO HG3 H 1 2.082 . . 2 . . . A 61 PRO HG3 . 18602 1 102 . 1 1 11 11 PRO HD2 H 1 3.956 . . 2 . . . A 61 PRO HD2 . 18602 1 103 . 1 1 11 11 PRO HD3 H 1 3.655 . . 2 . . . A 61 PRO HD3 . 18602 1 104 . 1 1 11 11 PRO C C 13 177.204 . . 1 . . . A 61 PRO C . 18602 1 105 . 1 1 11 11 PRO CA C 13 64.732 . . 1 . . . A 61 PRO CA . 18602 1 106 . 1 1 11 11 PRO CB C 13 31.580 . . 1 . . . A 61 PRO CB . 18602 1 107 . 1 1 11 11 PRO CG C 13 27.582 . . 1 . . . A 61 PRO CG . 18602 1 108 . 1 1 12 12 GLY H H 1 8.621 . . 1 . . . A 62 GLY H . 18602 1 109 . 1 1 12 12 GLY HA2 H 1 3.660 . . 2 . . . A 62 GLY HA2 . 18602 1 110 . 1 1 12 12 GLY HA3 H 1 4.331 . . 2 . . . A 62 GLY HA3 . 18602 1 111 . 1 1 12 12 GLY C C 13 174.675 . . 1 . . . A 62 GLY C . 18602 1 112 . 1 1 12 12 GLY CA C 13 45.083 . . 1 . . . A 62 GLY CA . 18602 1 113 . 1 1 12 12 GLY N N 15 113.354 . . 1 . . . A 62 GLY N . 18602 1 114 . 1 1 13 13 THR H H 1 7.667 . . 1 . . . A 63 THR H . 18602 1 115 . 1 1 13 13 THR HA H 1 4.294 . . 1 . . . A 63 THR HA . 18602 1 116 . 1 1 13 13 THR HB H 1 3.832 . . 1 . . . A 63 THR HB . 18602 1 117 . 1 1 13 13 THR HG21 H 1 1.278 . . 1 . . . A 63 THR HG21 . 18602 1 118 . 1 1 13 13 THR HG22 H 1 1.278 . . 1 . . . A 63 THR HG22 . 18602 1 119 . 1 1 13 13 THR HG23 H 1 1.278 . . 1 . . . A 63 THR HG23 . 18602 1 120 . 1 1 13 13 THR C C 13 173.319 . . 1 . . . A 63 THR C . 18602 1 121 . 1 1 13 13 THR CA C 13 65.261 . . 1 . . . A 63 THR CA . 18602 1 122 . 1 1 13 13 THR CB C 13 69.429 . . 1 . . . A 63 THR CB . 18602 1 123 . 1 1 13 13 THR CG2 C 13 21.868 . . 1 . . . A 63 THR CG2 . 18602 1 124 . 1 1 13 13 THR N N 15 117.221 . . 1 . . . A 63 THR N . 18602 1 125 . 1 1 14 14 VAL H H 1 8.372 . . 1 . . . A 64 VAL H . 18602 1 126 . 1 1 14 14 VAL HA H 1 4.871 . . 1 . . . A 64 VAL HA . 18602 1 127 . 1 1 14 14 VAL HB H 1 1.676 . . 1 . . . A 64 VAL HB . 18602 1 128 . 1 1 14 14 VAL HG11 H 1 0.898 . . 2 . . . A 64 VAL HG11 . 18602 1 129 . 1 1 14 14 VAL HG12 H 1 0.898 . . 2 . . . A 64 VAL HG12 . 18602 1 130 . 1 1 14 14 VAL HG13 H 1 0.898 . . 2 . . . A 64 VAL HG13 . 18602 1 131 . 1 1 14 14 VAL HG21 H 1 0.705 . . 2 . . . A 64 VAL HG21 . 18602 1 132 . 1 1 14 14 VAL HG22 H 1 0.705 . . 2 . . . A 64 VAL HG22 . 18602 1 133 . 1 1 14 14 VAL HG23 H 1 0.705 . . 2 . . . A 64 VAL HG23 . 18602 1 134 . 1 1 14 14 VAL C C 13 175.201 . . 1 . . . A 64 VAL C . 18602 1 135 . 1 1 14 14 VAL CA C 13 60.297 . . 1 . . . A 64 VAL CA . 18602 1 136 . 1 1 14 14 VAL CB C 13 34.379 . . 1 . . . A 64 VAL CB . 18602 1 137 . 1 1 14 14 VAL CG1 C 13 20.400 . . 2 . . . A 64 VAL CG1 . 18602 1 138 . 1 1 14 14 VAL CG2 C 13 20.879 . . 2 . . . A 64 VAL CG2 . 18602 1 139 . 1 1 14 14 VAL N N 15 127.791 . . 1 . . . A 64 VAL N . 18602 1 140 . 1 1 15 15 ALA H H 1 9.279 . . 1 . . . A 65 ALA H . 18602 1 141 . 1 1 15 15 ALA HA H 1 5.313 . . 1 . . . A 65 ALA HA . 18602 1 142 . 1 1 15 15 ALA HB1 H 1 0.924 . . 1 . . . A 65 ALA HB1 . 18602 1 143 . 1 1 15 15 ALA HB2 H 1 0.924 . . 1 . . . A 65 ALA HB2 . 18602 1 144 . 1 1 15 15 ALA HB3 H 1 0.924 . . 1 . . . A 65 ALA HB3 . 18602 1 145 . 1 1 15 15 ALA C C 13 174.420 . . 1 . . . A 65 ALA C . 18602 1 146 . 1 1 15 15 ALA CA C 13 49.941 . . 1 . . . A 65 ALA CA . 18602 1 147 . 1 1 15 15 ALA CB C 13 24.604 . . 1 . . . A 65 ALA CB . 18602 1 148 . 1 1 15 15 ALA N N 15 127.599 . . 1 . . . A 65 ALA N . 18602 1 149 . 1 1 16 16 ASP H H 1 8.296 . . 1 . . . A 66 ASP H . 18602 1 150 . 1 1 16 16 ASP HA H 1 5.390 . . 1 . . . A 66 ASP HA . 18602 1 151 . 1 1 16 16 ASP HB2 H 1 2.464 . . 2 . . . A 66 ASP HB2 . 18602 1 152 . 1 1 16 16 ASP HB3 H 1 2.774 . . 2 . . . A 66 ASP HB3 . 18602 1 153 . 1 1 16 16 ASP C C 13 176.214 . . 1 . . . A 66 ASP C . 18602 1 154 . 1 1 16 16 ASP CA C 13 53.257 . . 1 . . . A 66 ASP CA . 18602 1 155 . 1 1 16 16 ASP CB C 13 41.416 . . 1 . . . A 66 ASP CB . 18602 1 156 . 1 1 16 16 ASP N N 15 120.082 . . 1 . . . A 66 ASP N . 18602 1 157 . 1 1 17 17 ILE H H 1 8.908 . . 1 . . . A 67 ILE H . 18602 1 158 . 1 1 17 17 ILE HA H 1 4.581 . . 1 . . . A 67 ILE HA . 18602 1 159 . 1 1 17 17 ILE HB H 1 0.993 . . 1 . . . A 67 ILE HB . 18602 1 160 . 1 1 17 17 ILE HG12 H 1 0.308 . . 2 . . . A 67 ILE HG12 . 18602 1 161 . 1 1 17 17 ILE HG13 H 1 1.134 . . 2 . . . A 67 ILE HG13 . 18602 1 162 . 1 1 17 17 ILE HG21 H 1 0.169 . . 1 . . . A 67 ILE HG21 . 18602 1 163 . 1 1 17 17 ILE HG22 H 1 0.169 . . 1 . . . A 67 ILE HG22 . 18602 1 164 . 1 1 17 17 ILE HG23 H 1 0.169 . . 1 . . . A 67 ILE HG23 . 18602 1 165 . 1 1 17 17 ILE HD11 H 1 -0.432 . . 1 . . . A 67 ILE HD11 . 18602 1 166 . 1 1 17 17 ILE HD12 H 1 -0.432 . . 1 . . . A 67 ILE HD12 . 18602 1 167 . 1 1 17 17 ILE HD13 H 1 -0.432 . . 1 . . . A 67 ILE HD13 . 18602 1 168 . 1 1 17 17 ILE C C 13 175.217 . . 1 . . . A 67 ILE C . 18602 1 169 . 1 1 17 17 ILE CA C 13 60.154 . . 1 . . . A 67 ILE CA . 18602 1 170 . 1 1 17 17 ILE CB C 13 42.341 . . 1 . . . A 67 ILE CB . 18602 1 171 . 1 1 17 17 ILE CG1 C 13 27.501 . . 1 . . . A 67 ILE CG1 . 18602 1 172 . 1 1 17 17 ILE CG2 C 13 17.113 . . 1 . . . A 67 ILE CG2 . 18602 1 173 . 1 1 17 17 ILE N N 15 126.775 . . 1 . . . A 67 ILE N . 18602 1 174 . 1 1 18 18 SER H H 1 8.635 . . 1 . . . A 68 SER H . 18602 1 175 . 1 1 18 18 SER HA H 1 5.525 . . 1 . . . A 68 SER HA . 18602 1 176 . 1 1 18 18 SER HB2 H 1 3.524 . . 2 . . . A 68 SER HB2 . 18602 1 177 . 1 1 18 18 SER HB3 H 1 3.524 . . 2 . . . A 68 SER HB3 . 18602 1 178 . 1 1 18 18 SER C C 13 173.378 . . 1 . . . A 68 SER C . 18602 1 179 . 1 1 18 18 SER CA C 13 57.050 . . 1 . . . A 68 SER CA . 18602 1 180 . 1 1 18 18 SER CB C 13 64.108 . . 1 . . . A 68 SER CB . 18602 1 181 . 1 1 18 18 SER N N 15 121.726 . . 1 . . . A 68 SER N . 18602 1 182 . 1 1 19 19 TYR H H 1 8.766 . . 1 . . . A 69 TYR H . 18602 1 183 . 1 1 19 19 TYR HA H 1 5.649 . . 1 . . . A 69 TYR HA . 18602 1 184 . 1 1 19 19 TYR HB2 H 1 2.421 . . 2 . . . A 69 TYR HB2 . 18602 1 185 . 1 1 19 19 TYR HB3 H 1 2.199 . . 2 . . . A 69 TYR HB3 . 18602 1 186 . 1 1 19 19 TYR CA C 13 55.030 . . 1 . . . A 69 TYR CA . 18602 1 187 . 1 1 19 19 TYR CB C 13 42.056 . . 1 . . . A 69 TYR CB . 18602 1 188 . 1 1 19 19 TYR N N 15 124.426 . . 1 . . . A 69 TYR N . 18602 1 189 . 1 1 20 20 PHE H H 1 8.393 . . 1 . . . A 70 PHE H . 18602 1 190 . 1 1 20 20 PHE HA H 1 4.852 . . 1 . . . A 70 PHE HA . 18602 1 191 . 1 1 20 20 PHE HB2 H 1 3.264 . . 2 . . . A 70 PHE HB2 . 18602 1 192 . 1 1 20 20 PHE HB3 H 1 3.124 . . 2 . . . A 70 PHE HB3 . 18602 1 193 . 1 1 20 20 PHE C C 13 176.624 . . 1 . . . A 70 PHE C . 18602 1 194 . 1 1 20 20 PHE CA C 13 56.893 . . 1 . . . A 70 PHE CA . 18602 1 195 . 1 1 20 20 PHE CB C 13 39.834 . . 1 . . . A 70 PHE CB . 18602 1 196 . 1 1 20 20 PHE N N 15 120.301 . . 1 . . . A 70 PHE N . 18602 1 197 . 1 1 21 21 ASP H H 1 8.647 . . 1 . . . A 71 ASP H . 18602 1 198 . 1 1 21 21 ASP HA H 1 3.669 . . 1 . . . A 71 ASP HA . 18602 1 199 . 1 1 21 21 ASP HB2 H 1 2.782 . . 2 . . . A 71 ASP HB2 . 18602 1 200 . 1 1 21 21 ASP C C 13 177.370 . . 1 . . . A 71 ASP C . 18602 1 201 . 1 1 21 21 ASP CA C 13 52.492 . . 1 . . . A 71 ASP CA . 18602 1 202 . 1 1 21 21 ASP CB C 13 42.045 . . 1 . . . A 71 ASP CB . 18602 1 203 . 1 1 21 21 ASP N N 15 125.780 . . 1 . . . A 71 ASP N . 18602 1 204 . 1 1 22 22 VAL H H 1 8.394 . . 1 . . . A 72 VAL H . 18602 1 205 . 1 1 22 22 VAL HA H 1 4.009 . . 1 . . . A 72 VAL HA . 18602 1 206 . 1 1 22 22 VAL HB H 1 2.234 . . 1 . . . A 72 VAL HB . 18602 1 207 . 1 1 22 22 VAL HG11 H 1 0.993 . . 2 . . . A 72 VAL HG11 . 18602 1 208 . 1 1 22 22 VAL HG12 H 1 0.993 . . 2 . . . A 72 VAL HG12 . 18602 1 209 . 1 1 22 22 VAL HG13 H 1 0.993 . . 2 . . . A 72 VAL HG13 . 18602 1 210 . 1 1 22 22 VAL HG21 H 1 1.045 . . 2 . . . A 72 VAL HG21 . 18602 1 211 . 1 1 22 22 VAL HG22 H 1 1.045 . . 2 . . . A 72 VAL HG22 . 18602 1 212 . 1 1 22 22 VAL HG23 H 1 1.045 . . 2 . . . A 72 VAL HG23 . 18602 1 213 . 1 1 22 22 VAL C C 13 175.139 . . 1 . . . A 72 VAL C . 18602 1 214 . 1 1 22 22 VAL CA C 13 64.461 . . 1 . . . A 72 VAL CA . 18602 1 215 . 1 1 22 22 VAL CB C 13 31.832 . . 1 . . . A 72 VAL CB . 18602 1 216 . 1 1 22 22 VAL CG1 C 13 19.748 . . 2 . . . A 72 VAL CG1 . 18602 1 217 . 1 1 22 22 VAL CG2 C 13 21.681 . . 2 . . . A 72 VAL CG2 . 18602 1 218 . 1 1 22 22 VAL N N 15 115.966 . . 1 . . . A 72 VAL N . 18602 1 219 . 1 1 23 23 ASN H H 1 8.334 . . 1 . . . A 73 ASN H . 18602 1 220 . 1 1 23 23 ASN HA H 1 4.948 . . 1 . . . A 73 ASN HA . 18602 1 221 . 1 1 23 23 ASN HB2 H 1 2.923 . . 2 . . . A 73 ASN HB2 . 18602 1 222 . 1 1 23 23 ASN HB3 H 1 3.014 . . 2 . . . A 73 ASN HB3 . 18602 1 223 . 1 1 23 23 ASN C C 13 174.889 . . 1 . . . A 73 ASN C . 18602 1 224 . 1 1 23 23 ASN CA C 13 52.905 . . 1 . . . A 73 ASN CA . 18602 1 225 . 1 1 23 23 ASN CB C 13 38.843 . . 1 . . . A 73 ASN CB . 18602 1 226 . 1 1 23 23 ASN N N 15 119.555 . . 1 . . . A 73 ASN N . 18602 1 227 . 1 1 24 24 SER H H 1 8.611 . . 1 . . . A 74 SER H . 18602 1 228 . 1 1 24 24 SER C C 13 172.547 . . 1 . . . A 74 SER C . 18602 1 229 . 1 1 24 24 SER CA C 13 59.355 . . 1 . . . A 74 SER CA . 18602 1 230 . 1 1 24 24 SER CB C 13 61.632 . . 1 . . . A 74 SER CB . 18602 1 231 . 1 1 24 24 SER N N 15 112.417 . . 1 . . . A 74 SER N . 18602 1 232 . 1 1 25 25 GLU H H 1 8.130 . . 1 . . . A 75 GLU H . 18602 1 233 . 1 1 25 25 GLU HA H 1 4.547 . . 1 . . . A 75 GLU HA . 18602 1 234 . 1 1 25 25 GLU HB2 H 1 1.897 . . 2 . . . A 75 GLU HB2 . 18602 1 235 . 1 1 25 25 GLU HB3 H 1 1.775 . . 2 . . . A 75 GLU HB3 . 18602 1 236 . 1 1 25 25 GLU HG2 H 1 2.161 . . 2 . . . A 75 GLU HG2 . 18602 1 237 . 1 1 25 25 GLU CA C 13 52.446 . . 1 . . . A 75 GLU CA . 18602 1 238 . 1 1 25 25 GLU CB C 13 30.287 . . 1 . . . A 75 GLU CB . 18602 1 239 . 1 1 25 25 GLU N N 15 119.181 . . 1 . . . A 75 GLU N . 18602 1 240 . 1 1 26 26 PRO HA H 1 4.110 . . 1 . . . A 76 PRO HA . 18602 1 241 . 1 1 26 26 PRO HB2 H 1 1.464 . . 2 . . . A 76 PRO HB2 . 18602 1 242 . 1 1 26 26 PRO HG2 H 1 1.713 . . 2 . . . A 76 PRO HG2 . 18602 1 243 . 1 1 26 26 PRO HG3 H 1 1.893 . . 2 . . . A 76 PRO HG3 . 18602 1 244 . 1 1 26 26 PRO HD2 H 1 3.323 . . 2 . . . A 76 PRO HD2 . 18602 1 245 . 1 1 26 26 PRO HD3 H 1 3.521 . . 2 . . . A 76 PRO HD3 . 18602 1 246 . 1 1 26 26 PRO C C 13 176.501 . . 1 . . . A 76 PRO C . 18602 1 247 . 1 1 26 26 PRO CA C 13 61.721 . . 1 . . . A 76 PRO CA . 18602 1 248 . 1 1 26 26 PRO CB C 13 31.315 . . 1 . . . A 76 PRO CB . 18602 1 249 . 1 1 26 26 PRO CG C 13 26.854 . . 1 . . . A 76 PRO CG . 18602 1 250 . 1 1 26 26 PRO CD C 13 50.114 . . 1 . . . A 76 PRO CD . 18602 1 251 . 1 1 27 27 GLN H H 1 8.704 . . 1 . . . A 77 GLN H . 18602 1 252 . 1 1 27 27 GLN HA H 1 4.368 . . 1 . . . A 77 GLN HA . 18602 1 253 . 1 1 27 27 GLN HB3 H 1 1.689 . . 2 . . . A 77 GLN HB3 . 18602 1 254 . 1 1 27 27 GLN HG2 H 1 2.164 . . 2 . . . A 77 GLN HG2 . 18602 1 255 . 1 1 27 27 GLN C C 13 174.365 . . 1 . . . A 77 GLN C . 18602 1 256 . 1 1 27 27 GLN CA C 13 52.808 . . 1 . . . A 77 GLN CA . 18602 1 257 . 1 1 27 27 GLN CB C 13 29.877 . . 1 . . . A 77 GLN CB . 18602 1 258 . 1 1 27 27 GLN CG C 13 32.000 . . 1 . . . A 77 GLN CG . 18602 1 259 . 1 1 27 27 GLN N N 15 122.371 . . 1 . . . A 77 GLN N . 18602 1 260 . 1 1 28 28 ARG H H 1 8.401 . . 1 . . . A 78 ARG H . 18602 1 261 . 1 1 28 28 ARG HA H 1 5.136 . . 1 . . . A 78 ARG HA . 18602 1 262 . 1 1 28 28 ARG HB2 H 1 1.658 . . 2 . . . A 78 ARG HB2 . 18602 1 263 . 1 1 28 28 ARG HB3 H 1 1.550 . . 2 . . . A 78 ARG HB3 . 18602 1 264 . 1 1 28 28 ARG HG2 H 1 1.352 . . 2 . . . A 78 ARG HG2 . 18602 1 265 . 1 1 28 28 ARG HG3 H 1 1.414 . . 2 . . . A 78 ARG HG3 . 18602 1 266 . 1 1 28 28 ARG HD2 H 1 2.952 . . 2 . . . A 78 ARG HD2 . 18602 1 267 . 1 1 28 28 ARG HD3 H 1 3.042 . . 2 . . . A 78 ARG HD3 . 18602 1 268 . 1 1 28 28 ARG C C 13 176.384 . . 1 . . . A 78 ARG C . 18602 1 269 . 1 1 28 28 ARG CA C 13 54.608 . . 1 . . . A 78 ARG CA . 18602 1 270 . 1 1 28 28 ARG CB C 13 33.391 . . 1 . . . A 78 ARG CB . 18602 1 271 . 1 1 28 28 ARG CG C 13 27.225 . . 1 . . . A 78 ARG CG . 18602 1 272 . 1 1 28 28 ARG CD C 13 43.108 . . 1 . . . A 78 ARG CD . 18602 1 273 . 1 1 28 28 ARG N N 15 120.631 . . 1 . . . A 78 ARG N . 18602 1 274 . 1 1 29 29 VAL H H 1 9.149 . . 1 . . . A 79 VAL H . 18602 1 275 . 1 1 29 29 VAL HA H 1 4.123 . . 1 . . . A 79 VAL HA . 18602 1 276 . 1 1 29 29 VAL HB H 1 1.659 . . 1 . . . A 79 VAL HB . 18602 1 277 . 1 1 29 29 VAL HG11 H 1 1.023 . . 2 . . . A 79 VAL HG11 . 18602 1 278 . 1 1 29 29 VAL HG12 H 1 1.023 . . 2 . . . A 79 VAL HG12 . 18602 1 279 . 1 1 29 29 VAL HG13 H 1 1.023 . . 2 . . . A 79 VAL HG13 . 18602 1 280 . 1 1 29 29 VAL HG21 H 1 0.837 . . 2 . . . A 79 VAL HG21 . 18602 1 281 . 1 1 29 29 VAL HG22 H 1 0.837 . . 2 . . . A 79 VAL HG22 . 18602 1 282 . 1 1 29 29 VAL HG23 H 1 0.837 . . 2 . . . A 79 VAL HG23 . 18602 1 283 . 1 1 29 29 VAL C C 13 174.088 . . 1 . . . A 79 VAL C . 18602 1 284 . 1 1 29 29 VAL CA C 13 61.689 . . 1 . . . A 79 VAL CA . 18602 1 285 . 1 1 29 29 VAL CB C 13 33.623 . . 1 . . . A 79 VAL CB . 18602 1 286 . 1 1 29 29 VAL CG1 C 13 20.605 . . 2 . . . A 79 VAL CG1 . 18602 1 287 . 1 1 29 29 VAL CG2 C 13 21.605 . . 2 . . . A 79 VAL CG2 . 18602 1 288 . 1 1 29 29 VAL N N 15 126.083 . . 1 . . . A 79 VAL N . 18602 1 289 . 1 1 30 30 ASP H H 1 8.625 . . 1 . . . A 80 ASP H . 18602 1 290 . 1 1 30 30 ASP HA H 1 5.010 . . 1 . . . A 80 ASP HA . 18602 1 291 . 1 1 30 30 ASP HB2 H 1 2.526 . . 2 . . . A 80 ASP HB2 . 18602 1 292 . 1 1 30 30 ASP HB3 H 1 2.400 . . 2 . . . A 80 ASP HB3 . 18602 1 293 . 1 1 30 30 ASP C C 13 177.421 . . 1 . . . A 80 ASP C . 18602 1 294 . 1 1 30 30 ASP CA C 13 53.264 . . 1 . . . A 80 ASP CA . 18602 1 295 . 1 1 30 30 ASP CB C 13 41.789 . . 1 . . . A 80 ASP CB . 18602 1 296 . 1 1 30 30 ASP N N 15 127.135 . . 1 . . . A 80 ASP N . 18602 1 297 . 1 1 31 31 GLY H H 1 9.056 . . 1 . . . A 81 GLY H . 18602 1 298 . 1 1 31 31 GLY HA2 H 1 3.489 . . 2 . . . A 81 GLY HA2 . 18602 1 299 . 1 1 31 31 GLY HA3 H 1 3.559 . . 2 . . . A 81 GLY HA3 . 18602 1 300 . 1 1 31 31 GLY C C 13 175.019 . . 1 . . . A 81 GLY C . 18602 1 301 . 1 1 31 31 GLY CA C 13 47.682 . . 1 . . . A 81 GLY CA . 18602 1 302 . 1 1 31 31 GLY N N 15 113.975 . . 1 . . . A 81 GLY N . 18602 1 303 . 1 1 32 32 ALA H H 1 8.610 . . 1 . . . A 82 ALA H . 18602 1 304 . 1 1 32 32 ALA HA H 1 4.130 . . 1 . . . A 82 ALA HA . 18602 1 305 . 1 1 32 32 ALA HB1 H 1 1.030 . . 1 . . . A 82 ALA HB1 . 18602 1 306 . 1 1 32 32 ALA HB2 H 1 1.030 . . 1 . . . A 82 ALA HB2 . 18602 1 307 . 1 1 32 32 ALA HB3 H 1 1.030 . . 1 . . . A 82 ALA HB3 . 18602 1 308 . 1 1 32 32 ALA C C 13 176.632 . . 1 . . . A 82 ALA C . 18602 1 309 . 1 1 32 32 ALA CA C 13 52.067 . . 1 . . . A 82 ALA CA . 18602 1 310 . 1 1 32 32 ALA CB C 13 19.314 . . 1 . . . A 82 ALA CB . 18602 1 311 . 1 1 32 32 ALA N N 15 123.446 . . 1 . . . A 82 ALA N . 18602 1 312 . 1 1 33 33 VAL H H 1 8.447 . . 1 . . . A 83 VAL H . 18602 1 313 . 1 1 33 33 VAL HA H 1 4.073 . . 1 . . . A 83 VAL HA . 18602 1 314 . 1 1 33 33 VAL HB H 1 2.043 . . 1 . . . A 83 VAL HB . 18602 1 315 . 1 1 33 33 VAL HG21 H 1 1.014 . . 2 . . . A 83 VAL HG21 . 18602 1 316 . 1 1 33 33 VAL HG22 H 1 1.014 . . 2 . . . A 83 VAL HG22 . 18602 1 317 . 1 1 33 33 VAL HG23 H 1 1.014 . . 2 . . . A 83 VAL HG23 . 18602 1 318 . 1 1 33 33 VAL C C 13 176.379 . . 1 . . . A 83 VAL C . 18602 1 319 . 1 1 33 33 VAL CA C 13 62.613 . . 1 . . . A 83 VAL CA . 18602 1 320 . 1 1 33 33 VAL CB C 13 31.635 . . 1 . . . A 83 VAL CB . 18602 1 321 . 1 1 33 33 VAL CG2 C 13 21.376 . . 2 . . . A 83 VAL CG2 . 18602 1 322 . 1 1 33 33 VAL N N 15 124.299 . . 1 . . . A 83 VAL N . 18602 1 323 . 1 1 34 34 LEU H H 1 7.639 . . 1 . . . A 84 LEU H . 18602 1 324 . 1 1 34 34 LEU HA H 1 4.151 . . 1 . . . A 84 LEU HA . 18602 1 325 . 1 1 34 34 LEU HB2 H 1 1.533 . . 2 . . . A 84 LEU HB2 . 18602 1 326 . 1 1 34 34 LEU HB3 H 1 1.641 . . 2 . . . A 84 LEU HB3 . 18602 1 327 . 1 1 34 34 LEU HD11 H 1 0.645 . . 2 . . . A 84 LEU HD11 . 18602 1 328 . 1 1 34 34 LEU HD12 H 1 0.645 . . 2 . . . A 84 LEU HD12 . 18602 1 329 . 1 1 34 34 LEU HD13 H 1 0.645 . . 2 . . . A 84 LEU HD13 . 18602 1 330 . 1 1 34 34 LEU CA C 13 53.830 . . 1 . . . A 84 LEU CA . 18602 1 331 . 1 1 34 34 LEU CB C 13 38.322 . . 1 . . . A 84 LEU CB . 18602 1 332 . 1 1 34 34 LEU CD1 C 13 21.731 . . 2 . . . A 84 LEU CD1 . 18602 1 333 . 1 1 34 34 LEU N N 15 125.085 . . 1 . . . A 84 LEU N . 18602 1 334 . 1 1 35 35 PRO HA H 1 4.805 . . 1 . . . A 85 PRO HA . 18602 1 335 . 1 1 35 35 PRO HB2 H 1 2.665 . . 2 . . . A 85 PRO HB2 . 18602 1 336 . 1 1 35 35 PRO HB3 H 1 2.281 . . 2 . . . A 85 PRO HB3 . 18602 1 337 . 1 1 35 35 PRO HG2 H 1 2.010 . . 2 . . . A 85 PRO HG2 . 18602 1 338 . 1 1 35 35 PRO HG3 H 1 1.949 . . 2 . . . A 85 PRO HG3 . 18602 1 339 . 1 1 35 35 PRO HD2 H 1 3.781 . . 2 . . . A 85 PRO HD2 . 18602 1 340 . 1 1 35 35 PRO HD3 H 1 3.448 . . 2 . . . A 85 PRO HD3 . 18602 1 341 . 1 1 35 35 PRO C C 13 176.501 . . 1 . . . A 85 PRO C . 18602 1 342 . 1 1 35 35 PRO CA C 13 62.677 . . 1 . . . A 85 PRO CA . 18602 1 343 . 1 1 35 35 PRO CB C 13 35.117 . . 1 . . . A 85 PRO CB . 18602 1 344 . 1 1 35 35 PRO CG C 13 24.453 . . 1 . . . A 85 PRO CG . 18602 1 345 . 1 1 35 35 PRO CD C 13 51.097 . . 1 . . . A 85 PRO CD . 18602 1 346 . 1 1 36 36 TRP H H 1 8.751 . . 1 . . . A 86 TRP H . 18602 1 347 . 1 1 36 36 TRP HA H 1 4.949 . . 1 . . . A 86 TRP HA . 18602 1 348 . 1 1 36 36 TRP HB2 H 1 2.821 . . 2 . . . A 86 TRP HB2 . 18602 1 349 . 1 1 36 36 TRP HB3 H 1 2.934 . . 2 . . . A 86 TRP HB3 . 18602 1 350 . 1 1 36 36 TRP C C 13 174.477 . . 1 . . . A 86 TRP C . 18602 1 351 . 1 1 36 36 TRP CA C 13 56.861 . . 1 . . . A 86 TRP CA . 18602 1 352 . 1 1 36 36 TRP CB C 13 33.799 . . 1 . . . A 86 TRP CB . 18602 1 353 . 1 1 36 36 TRP N N 15 123.282 . . 1 . . . A 86 TRP N . 18602 1 354 . 1 1 37 37 SER H H 1 7.383 . . 1 . . . A 87 SER H . 18602 1 355 . 1 1 37 37 SER HA H 1 4.946 . . 1 . . . A 87 SER HA . 18602 1 356 . 1 1 37 37 SER HB2 H 1 3.719 . . 2 . . . A 87 SER HB2 . 18602 1 357 . 1 1 37 37 SER HB3 H 1 3.421 . . 2 . . . A 87 SER HB3 . 18602 1 358 . 1 1 37 37 SER C C 13 171.207 . . 1 . . . A 87 SER C . 18602 1 359 . 1 1 37 37 SER CA C 13 56.604 . . 1 . . . A 87 SER CA . 18602 1 360 . 1 1 37 37 SER CB C 13 66.566 . . 1 . . . A 87 SER CB . 18602 1 361 . 1 1 37 37 SER N N 15 120.324 . . 1 . . . A 87 SER N . 18602 1 362 . 1 1 38 38 LEU H H 1 7.863 . . 1 . . . A 88 LEU H . 18602 1 363 . 1 1 38 38 LEU HA H 1 3.977 . . 1 . . . A 88 LEU HA . 18602 1 364 . 1 1 38 38 LEU HB2 H 1 0.970 . . 2 . . . A 88 LEU HB2 . 18602 1 365 . 1 1 38 38 LEU HB3 H 1 0.660 . . 2 . . . A 88 LEU HB3 . 18602 1 366 . 1 1 38 38 LEU HG H 1 1.289 . . 1 . . . A 88 LEU HG . 18602 1 367 . 1 1 38 38 LEU HD11 H 1 0.856 . . 2 . . . A 88 LEU HD11 . 18602 1 368 . 1 1 38 38 LEU HD12 H 1 0.856 . . 2 . . . A 88 LEU HD12 . 18602 1 369 . 1 1 38 38 LEU HD13 H 1 0.856 . . 2 . . . A 88 LEU HD13 . 18602 1 370 . 1 1 38 38 LEU C C 13 173.758 . . 1 . . . A 88 LEU C . 18602 1 371 . 1 1 38 38 LEU CA C 13 54.816 . . 1 . . . A 88 LEU CA . 18602 1 372 . 1 1 38 38 LEU CB C 13 47.100 . . 1 . . . A 88 LEU CB . 18602 1 373 . 1 1 38 38 LEU CG C 13 27.072 . . 1 . . . A 88 LEU CG . 18602 1 374 . 1 1 38 38 LEU CD1 C 13 23.841 . . 2 . . . A 88 LEU CD1 . 18602 1 375 . 1 1 38 38 LEU N N 15 120.876 . . 1 . . . A 88 LEU N . 18602 1 376 . 1 1 39 39 HIS H H 1 8.443 . . 1 . . . A 89 HIS H . 18602 1 377 . 1 1 39 39 HIS HA H 1 5.335 . . 1 . . . A 89 HIS HA . 18602 1 378 . 1 1 39 39 HIS HB2 H 1 2.883 . . 2 . . . A 89 HIS HB2 . 18602 1 379 . 1 1 39 39 HIS HB3 H 1 2.883 . . 2 . . . A 89 HIS HB3 . 18602 1 380 . 1 1 39 39 HIS C C 13 175.112 . . 1 . . . A 89 HIS C . 18602 1 381 . 1 1 39 39 HIS CA C 13 54.688 . . 1 . . . A 89 HIS CA . 18602 1 382 . 1 1 39 39 HIS CB C 13 32.548 . . 1 . . . A 89 HIS CB . 18602 1 383 . 1 1 39 39 HIS N N 15 125.317 . . 1 . . . A 89 HIS N . 18602 1 384 . 1 1 40 40 ILE H H 1 9.591 . . 1 . . . A 90 ILE H . 18602 1 385 . 1 1 40 40 ILE HA H 1 4.323 . . 1 . . . A 90 ILE HA . 18602 1 386 . 1 1 40 40 ILE HB H 1 1.690 . . 1 . . . A 90 ILE HB . 18602 1 387 . 1 1 40 40 ILE HG12 H 1 1.124 . . 2 . . . A 90 ILE HG12 . 18602 1 388 . 1 1 40 40 ILE HG13 H 1 1.468 . . 2 . . . A 90 ILE HG13 . 18602 1 389 . 1 1 40 40 ILE HG21 H 1 0.855 . . 1 . . . A 90 ILE HG21 . 18602 1 390 . 1 1 40 40 ILE HG22 H 1 0.855 . . 1 . . . A 90 ILE HG22 . 18602 1 391 . 1 1 40 40 ILE HG23 H 1 0.855 . . 1 . . . A 90 ILE HG23 . 18602 1 392 . 1 1 40 40 ILE C C 13 174.339 . . 1 . . . A 90 ILE C . 18602 1 393 . 1 1 40 40 ILE CA C 13 60.656 . . 1 . . . A 90 ILE CA . 18602 1 394 . 1 1 40 40 ILE CB C 13 41.853 . . 1 . . . A 90 ILE CB . 18602 1 395 . 1 1 40 40 ILE CG1 C 13 27.592 . . 1 . . . A 90 ILE CG1 . 18602 1 396 . 1 1 40 40 ILE CG2 C 13 17.418 . . 1 . . . A 90 ILE CG2 . 18602 1 397 . 1 1 40 40 ILE CD1 C 13 13.243 . . 1 . . . A 90 ILE CD1 . 18602 1 398 . 1 1 40 40 ILE N N 15 125.151 . . 1 . . . A 90 ILE N . 18602 1 399 . 1 1 41 41 THR H H 1 8.494 . . 1 . . . A 91 THR H . 18602 1 400 . 1 1 41 41 THR HA H 1 5.284 . . 1 . . . A 91 THR HA . 18602 1 401 . 1 1 41 41 THR HB H 1 3.938 . . 1 . . . A 91 THR HB . 18602 1 402 . 1 1 41 41 THR HG21 H 1 1.044 . . 1 . . . A 91 THR HG21 . 18602 1 403 . 1 1 41 41 THR HG22 H 1 1.044 . . 1 . . . A 91 THR HG22 . 18602 1 404 . 1 1 41 41 THR HG23 H 1 1.044 . . 1 . . . A 91 THR HG23 . 18602 1 405 . 1 1 41 41 THR C C 13 173.834 . . 1 . . . A 91 THR C . 18602 1 406 . 1 1 41 41 THR CA C 13 60.560 . . 1 . . . A 91 THR CA . 18602 1 407 . 1 1 41 41 THR CB C 13 70.316 . . 1 . . . A 91 THR CB . 18602 1 408 . 1 1 41 41 THR CG2 C 13 21.308 . . 1 . . . A 91 THR CG2 . 18602 1 409 . 1 1 41 41 THR N N 15 121.219 . . 1 . . . A 91 THR N . 18602 1 410 . 1 1 42 42 THR H H 1 8.730 . . 1 . . . A 92 THR H . 18602 1 411 . 1 1 42 42 THR HA H 1 4.732 . . 1 . . . A 92 THR HA . 18602 1 412 . 1 1 42 42 THR HB H 1 4.293 . . 1 . . . A 92 THR HB . 18602 1 413 . 1 1 42 42 THR HG21 H 1 1.099 . . 1 . . . A 92 THR HG21 . 18602 1 414 . 1 1 42 42 THR HG22 H 1 1.099 . . 1 . . . A 92 THR HG22 . 18602 1 415 . 1 1 42 42 THR HG23 H 1 1.099 . . 1 . . . A 92 THR HG23 . 18602 1 416 . 1 1 42 42 THR CA C 13 59.279 . . 1 . . . A 92 THR CA . 18602 1 417 . 1 1 42 42 THR CB C 13 69.963 . . 1 . . . A 92 THR CB . 18602 1 418 . 1 1 42 42 THR CG2 C 13 20.471 . . 1 . . . A 92 THR CG2 . 18602 1 419 . 1 1 42 42 THR N N 15 117.645 . . 1 . . . A 92 THR N . 18602 1 420 . 1 1 43 43 ASN C C 13 175.088 . . 1 . . . A 93 ASN C . 18602 1 421 . 1 1 44 44 ASP HA H 1 4.586 . . 1 . . . A 94 ASP HA . 18602 1 422 . 1 1 44 44 ASP HB2 H 1 2.588 . . 2 . . . A 94 ASP HB2 . 18602 1 423 . 1 1 44 44 ASP HB3 H 1 2.789 . . 2 . . . A 94 ASP HB3 . 18602 1 424 . 1 1 44 44 ASP C C 13 175.161 . . 1 . . . A 94 ASP C . 18602 1 425 . 1 1 44 44 ASP CA C 13 54.152 . . 1 . . . A 94 ASP CA . 18602 1 426 . 1 1 44 44 ASP CB C 13 41.689 . . 1 . . . A 94 ASP CB . 18602 1 427 . 1 1 45 45 ALA H H 1 8.080 . . 1 . . . A 95 ALA H . 18602 1 428 . 1 1 45 45 ALA HA H 1 4.302 . . 1 . . . A 95 ALA HA . 18602 1 429 . 1 1 45 45 ALA HB1 H 1 1.372 . . 1 . . . A 95 ALA HB1 . 18602 1 430 . 1 1 45 45 ALA HB2 H 1 1.372 . . 1 . . . A 95 ALA HB2 . 18602 1 431 . 1 1 45 45 ALA HB3 H 1 1.372 . . 1 . . . A 95 ALA HB3 . 18602 1 432 . 1 1 45 45 ALA C C 13 177.072 . . 1 . . . A 95 ALA C . 18602 1 433 . 1 1 45 45 ALA CA C 13 52.503 . . 1 . . . A 95 ALA CA . 18602 1 434 . 1 1 45 45 ALA CB C 13 19.530 . . 1 . . . A 95 ALA CB . 18602 1 435 . 1 1 45 45 ALA N N 15 123.405 . . 1 . . . A 95 ALA N . 18602 1 436 . 1 1 46 46 ALA H H 1 8.139 . . 1 . . . A 96 ALA H . 18602 1 437 . 1 1 46 46 ALA HA H 1 4.321 . . 1 . . . A 96 ALA HA . 18602 1 438 . 1 1 46 46 ALA HB1 H 1 1.336 . . 1 . . . A 96 ALA HB1 . 18602 1 439 . 1 1 46 46 ALA HB2 H 1 1.336 . . 1 . . . A 96 ALA HB2 . 18602 1 440 . 1 1 46 46 ALA HB3 H 1 1.336 . . 1 . . . A 96 ALA HB3 . 18602 1 441 . 1 1 46 46 ALA C C 13 176.981 . . 1 . . . A 96 ALA C . 18602 1 442 . 1 1 46 46 ALA CA C 13 52.312 . . 1 . . . A 96 ALA CA . 18602 1 443 . 1 1 46 46 ALA CB C 13 19.404 . . 1 . . . A 96 ALA CB . 18602 1 444 . 1 1 46 46 ALA N N 15 121.842 . . 1 . . . A 96 ALA N . 18602 1 445 . 1 1 47 47 VAL H H 1 7.586 . . 1 . . . A 97 VAL H . 18602 1 446 . 1 1 47 47 VAL HA H 1 4.036 . . 1 . . . A 97 VAL HA . 18602 1 447 . 1 1 47 47 VAL HB H 1 1.950 . . 1 . . . A 97 VAL HB . 18602 1 448 . 1 1 47 47 VAL HG11 H 1 0.801 . . 2 . . . A 97 VAL HG11 . 18602 1 449 . 1 1 47 47 VAL HG12 H 1 0.801 . . 2 . . . A 97 VAL HG12 . 18602 1 450 . 1 1 47 47 VAL HG13 H 1 0.801 . . 2 . . . A 97 VAL HG13 . 18602 1 451 . 1 1 47 47 VAL HG21 H 1 0.910 . . 2 . . . A 97 VAL HG21 . 18602 1 452 . 1 1 47 47 VAL HG22 H 1 0.910 . . 2 . . . A 97 VAL HG22 . 18602 1 453 . 1 1 47 47 VAL HG23 H 1 0.910 . . 2 . . . A 97 VAL HG23 . 18602 1 454 . 1 1 47 47 VAL C C 13 174.476 . . 1 . . . A 97 VAL C . 18602 1 455 . 1 1 47 47 VAL CA C 13 62.127 . . 1 . . . A 97 VAL CA . 18602 1 456 . 1 1 47 47 VAL CB C 13 33.377 . . 1 . . . A 97 VAL CB . 18602 1 457 . 1 1 47 47 VAL CG1 C 13 21.049 . . 2 . . . A 97 VAL CG1 . 18602 1 458 . 1 1 47 47 VAL CG2 C 13 21.687 . . 2 . . . A 97 VAL CG2 . 18602 1 459 . 1 1 47 47 VAL N N 15 119.316 . . 1 . . . A 97 VAL N . 18602 1 460 . 1 1 48 48 MET H H 1 8.129 . . 1 . . . A 98 MET H . 18602 1 461 . 1 1 48 48 MET HA H 1 4.567 . . 1 . . . A 98 MET HA . 18602 1 462 . 1 1 48 48 MET HB2 H 1 2.066 . . 2 . . . A 98 MET HB2 . 18602 1 463 . 1 1 48 48 MET HB3 H 1 2.066 . . 2 . . . A 98 MET HB3 . 18602 1 464 . 1 1 48 48 MET HG2 H 1 2.426 . . 2 . . . A 98 MET HG2 . 18602 1 465 . 1 1 48 48 MET HG3 H 1 2.426 . . 2 . . . A 98 MET HG3 . 18602 1 466 . 1 1 48 48 MET C C 13 174.643 . . 1 . . . A 98 MET C . 18602 1 467 . 1 1 48 48 MET CA C 13 54.422 . . 1 . . . A 98 MET CA . 18602 1 468 . 1 1 48 48 MET CB C 13 33.489 . . 1 . . . A 98 MET CB . 18602 1 469 . 1 1 48 48 MET CG C 13 31.738 . . 1 . . . A 98 MET CG . 18602 1 470 . 1 1 48 48 MET N N 15 124.733 . . 1 . . . A 98 MET N . 18602 1 471 . 1 1 49 49 GLY H H 1 8.440 . . 1 . . . A 99 GLY H . 18602 1 472 . 1 1 49 49 GLY HA2 H 1 4.571 . . 2 . . . A 99 GLY HA2 . 18602 1 473 . 1 1 49 49 GLY HA3 H 1 3.379 . . 2 . . . A 99 GLY HA3 . 18602 1 474 . 1 1 49 49 GLY C C 13 172.443 . . 1 . . . A 99 GLY C . 18602 1 475 . 1 1 49 49 GLY CA C 13 45.691 . . 1 . . . A 99 GLY CA . 18602 1 476 . 1 1 49 49 GLY N N 15 107.986 . . 1 . . . A 99 GLY N . 18602 1 477 . 1 1 50 50 ASN H H 1 8.482 . . 1 . . . A 100 ASN H . 18602 1 478 . 1 1 50 50 ASN HA H 1 5.158 . . 1 . . . A 100 ASN HA . 18602 1 479 . 1 1 50 50 ASN HB2 H 1 2.127 . . 2 . . . A 100 ASN HB2 . 18602 1 480 . 1 1 50 50 ASN HB3 H 1 2.299 . . 2 . . . A 100 ASN HB3 . 18602 1 481 . 1 1 50 50 ASN C C 13 172.509 . . 1 . . . A 100 ASN C . 18602 1 482 . 1 1 50 50 ASN CA C 13 53.464 . . 1 . . . A 100 ASN CA . 18602 1 483 . 1 1 50 50 ASN CB C 13 40.502 . . 1 . . . A 100 ASN CB . 18602 1 484 . 1 1 50 50 ASN N N 15 126.559 . . 1 . . . A 100 ASN N . 18602 1 485 . 1 1 51 51 ILE H H 1 8.966 . . 1 . . . A 101 ILE H . 18602 1 486 . 1 1 51 51 ILE HA H 1 5.322 . . 1 . . . A 101 ILE HA . 18602 1 487 . 1 1 51 51 ILE HB H 1 1.527 . . 1 . . . A 101 ILE HB . 18602 1 488 . 1 1 51 51 ILE HG21 H 1 1.004 . . 1 . . . A 101 ILE HG21 . 18602 1 489 . 1 1 51 51 ILE HG22 H 1 1.004 . . 1 . . . A 101 ILE HG22 . 18602 1 490 . 1 1 51 51 ILE HG23 H 1 1.004 . . 1 . . . A 101 ILE HG23 . 18602 1 491 . 1 1 51 51 ILE HD11 H 1 0.613 . . 1 . . . A 101 ILE HD11 . 18602 1 492 . 1 1 51 51 ILE HD12 H 1 0.613 . . 1 . . . A 101 ILE HD12 . 18602 1 493 . 1 1 51 51 ILE HD13 H 1 0.613 . . 1 . . . A 101 ILE HD13 . 18602 1 494 . 1 1 51 51 ILE C C 13 171.062 . . 1 . . . A 101 ILE C . 18602 1 495 . 1 1 51 51 ILE CA C 13 59.667 . . 1 . . . A 101 ILE CA . 18602 1 496 . 1 1 51 51 ILE CB C 13 40.835 . . 1 . . . A 101 ILE CB . 18602 1 497 . 1 1 51 51 ILE CG1 C 13 29.231 . . 1 . . . A 101 ILE CG1 . 18602 1 498 . 1 1 51 51 ILE CG2 C 13 15.900 . . 1 . . . A 101 ILE CG2 . 18602 1 499 . 1 1 51 51 ILE CD1 C 13 16.935 . . 1 . . . A 101 ILE CD1 . 18602 1 500 . 1 1 51 51 ILE N N 15 124.340 . . 1 . . . A 101 ILE N . 18602 1 501 . 1 1 52 52 VAL H H 1 8.760 . . 1 . . . A 102 VAL H . 18602 1 502 . 1 1 52 52 VAL HA H 1 4.885 . . 1 . . . A 102 VAL HA . 18602 1 503 . 1 1 52 52 VAL HB H 1 2.023 . . 1 . . . A 102 VAL HB . 18602 1 504 . 1 1 52 52 VAL HG11 H 1 0.914 . . 2 . . . A 102 VAL HG11 . 18602 1 505 . 1 1 52 52 VAL HG12 H 1 0.914 . . 2 . . . A 102 VAL HG12 . 18602 1 506 . 1 1 52 52 VAL HG13 H 1 0.914 . . 2 . . . A 102 VAL HG13 . 18602 1 507 . 1 1 52 52 VAL HG21 H 1 0.914 . . 2 . . . A 102 VAL HG21 . 18602 1 508 . 1 1 52 52 VAL HG22 H 1 0.914 . . 2 . . . A 102 VAL HG22 . 18602 1 509 . 1 1 52 52 VAL HG23 H 1 0.914 . . 2 . . . A 102 VAL HG23 . 18602 1 510 . 1 1 52 52 VAL C C 13 174.024 . . 1 . . . A 102 VAL C . 18602 1 511 . 1 1 52 52 VAL CA C 13 59.632 . . 1 . . . A 102 VAL CA . 18602 1 512 . 1 1 52 52 VAL CB C 13 35.427 . . 1 . . . A 102 VAL CB . 18602 1 513 . 1 1 52 52 VAL CG1 C 13 20.436 . . 2 . . . A 102 VAL CG1 . 18602 1 514 . 1 1 52 52 VAL CG2 C 13 20.464 . . 2 . . . A 102 VAL CG2 . 18602 1 515 . 1 1 52 52 VAL N N 15 122.838 . . 1 . . . A 102 VAL N . 18602 1 516 . 1 1 53 53 ALA H H 1 8.233 . . 1 . . . A 103 ALA H . 18602 1 517 . 1 1 53 53 ALA HA H 1 5.165 . . 1 . . . A 103 ALA HA . 18602 1 518 . 1 1 53 53 ALA HB1 H 1 0.915 . . 1 . . . A 103 ALA HB1 . 18602 1 519 . 1 1 53 53 ALA HB2 H 1 0.915 . . 1 . . . A 103 ALA HB2 . 18602 1 520 . 1 1 53 53 ALA HB3 H 1 0.915 . . 1 . . . A 103 ALA HB3 . 18602 1 521 . 1 1 53 53 ALA C C 13 173.901 . . 1 . . . A 103 ALA C . 18602 1 522 . 1 1 53 53 ALA CA C 13 50.956 . . 1 . . . A 103 ALA CA . 18602 1 523 . 1 1 53 53 ALA CB C 13 24.772 . . 1 . . . A 103 ALA CB . 18602 1 524 . 1 1 53 53 ALA N N 15 122.104 . . 1 . . . A 103 ALA N . 18602 1 525 . 1 1 54 54 GLN H H 1 8.401 . . 1 . . . A 104 GLN H . 18602 1 526 . 1 1 54 54 GLN HA H 1 5.003 . . 1 . . . A 104 GLN HA . 18602 1 527 . 1 1 54 54 GLN HB2 H 1 2.032 . . 2 . . . A 104 GLN HB2 . 18602 1 528 . 1 1 54 54 GLN C C 13 175.094 . . 1 . . . A 104 GLN C . 18602 1 529 . 1 1 54 54 GLN CA C 13 54.263 . . 1 . . . A 104 GLN CA . 18602 1 530 . 1 1 54 54 GLN CB C 13 32.034 . . 1 . . . A 104 GLN CB . 18602 1 531 . 1 1 54 54 GLN CG C 13 33.934 . . 1 . . . A 104 GLN CG . 18602 1 532 . 1 1 54 54 GLN N N 15 120.631 . . 1 . . . A 104 GLN N . 18602 1 533 . 1 1 55 55 GLY H H 1 8.929 . . 1 . . . A 105 GLY H . 18602 1 534 . 1 1 55 55 GLY HA2 H 1 4.077 . . 2 . . . A 105 GLY HA2 . 18602 1 535 . 1 1 55 55 GLY HA3 H 1 5.102 . . 2 . . . A 105 GLY HA3 . 18602 1 536 . 1 1 55 55 GLY C C 13 173.643 . . 1 . . . A 105 GLY C . 18602 1 537 . 1 1 55 55 GLY CA C 13 44.529 . . 1 . . . A 105 GLY CA . 18602 1 538 . 1 1 55 55 GLY N N 15 115.985 . . 1 . . . A 105 GLY N . 18602 1 539 . 1 1 56 56 ASN H H 1 7.797 . . 1 . . . A 106 ASN H . 18602 1 540 . 1 1 56 56 ASN HA H 1 5.069 . . 1 . . . A 106 ASN HA . 18602 1 541 . 1 1 56 56 ASN HB2 H 1 2.717 . . 2 . . . A 106 ASN HB2 . 18602 1 542 . 1 1 56 56 ASN HB3 H 1 3.255 . . 2 . . . A 106 ASN HB3 . 18602 1 543 . 1 1 56 56 ASN C C 13 175.984 . . 1 . . . A 106 ASN C . 18602 1 544 . 1 1 56 56 ASN CA C 13 51.607 . . 1 . . . A 106 ASN CA . 18602 1 545 . 1 1 56 56 ASN CB C 13 38.327 . . 1 . . . A 106 ASN CB . 18602 1 546 . 1 1 56 56 ASN N N 15 115.218 . . 1 . . . A 106 ASN N . 18602 1 547 . 1 1 57 57 SER H H 1 8.491 . . 1 . . . A 107 SER H . 18602 1 548 . 1 1 57 57 SER HA H 1 4.971 . . 1 . . . A 107 SER HA . 18602 1 549 . 1 1 57 57 SER HB2 H 1 3.873 . . 2 . . . A 107 SER HB2 . 18602 1 550 . 1 1 57 57 SER HB3 H 1 4.080 . . 2 . . . A 107 SER HB3 . 18602 1 551 . 1 1 57 57 SER C C 13 173.736 . . 1 . . . A 107 SER C . 18602 1 552 . 1 1 57 57 SER CA C 13 56.460 . . 1 . . . A 107 SER CA . 18602 1 553 . 1 1 57 57 SER CB C 13 65.300 . . 1 . . . A 107 SER CB . 18602 1 554 . 1 1 57 57 SER N N 15 118.363 . . 1 . . . A 107 SER N . 18602 1 555 . 1 1 58 58 ASP H H 1 8.303 . . 1 . . . A 108 ASP H . 18602 1 556 . 1 1 58 58 ASP HA H 1 5.089 . . 1 . . . A 108 ASP HA . 18602 1 557 . 1 1 58 58 ASP HB2 H 1 2.654 . . 2 . . . A 108 ASP HB2 . 18602 1 558 . 1 1 58 58 ASP HB3 H 1 2.557 . . 2 . . . A 108 ASP HB3 . 18602 1 559 . 1 1 58 58 ASP C C 13 175.977 . . 1 . . . A 108 ASP C . 18602 1 560 . 1 1 58 58 ASP CA C 13 53.828 . . 1 . . . A 108 ASP CA . 18602 1 561 . 1 1 58 58 ASP CB C 13 40.047 . . 1 . . . A 108 ASP CB . 18602 1 562 . 1 1 58 58 ASP N N 15 118.003 . . 1 . . . A 108 ASP N . 18602 1 563 . 1 1 59 59 SER H H 1 7.419 . . 1 . . . A 109 SER H . 18602 1 564 . 1 1 59 59 SER HA H 1 5.231 . . 1 . . . A 109 SER HA . 18602 1 565 . 1 1 59 59 SER HB2 H 1 3.820 . . 2 . . . A 109 SER HB2 . 18602 1 566 . 1 1 59 59 SER HB3 H 1 3.347 . . 2 . . . A 109 SER HB3 . 18602 1 567 . 1 1 59 59 SER C C 13 172.732 . . 1 . . . A 109 SER C . 18602 1 568 . 1 1 59 59 SER CA C 13 57.183 . . 1 . . . A 109 SER CA . 18602 1 569 . 1 1 59 59 SER CB C 13 64.846 . . 1 . . . A 109 SER CB . 18602 1 570 . 1 1 59 59 SER N N 15 110.418 . . 1 . . . A 109 SER N . 18602 1 571 . 1 1 60 60 ILE H H 1 8.145 . . 1 . . . A 110 ILE H . 18602 1 572 . 1 1 60 60 ILE HA H 1 4.547 . . 1 . . . A 110 ILE HA . 18602 1 573 . 1 1 60 60 ILE HB H 1 1.884 . . 1 . . . A 110 ILE HB . 18602 1 574 . 1 1 60 60 ILE HG12 H 1 1.428 . . 2 . . . A 110 ILE HG12 . 18602 1 575 . 1 1 60 60 ILE HG13 H 1 0.801 . . 2 . . . A 110 ILE HG13 . 18602 1 576 . 1 1 60 60 ILE HG21 H 1 0.420 . . 1 . . . A 110 ILE HG21 . 18602 1 577 . 1 1 60 60 ILE HG22 H 1 0.420 . . 1 . . . A 110 ILE HG22 . 18602 1 578 . 1 1 60 60 ILE HG23 H 1 0.420 . . 1 . . . A 110 ILE HG23 . 18602 1 579 . 1 1 60 60 ILE HD11 H 1 0.480 . . 1 . . . A 110 ILE HD11 . 18602 1 580 . 1 1 60 60 ILE HD12 H 1 0.480 . . 1 . . . A 110 ILE HD12 . 18602 1 581 . 1 1 60 60 ILE HD13 H 1 0.480 . . 1 . . . A 110 ILE HD13 . 18602 1 582 . 1 1 60 60 ILE C C 13 171.606 . . 1 . . . A 110 ILE C . 18602 1 583 . 1 1 60 60 ILE CA C 13 61.314 . . 1 . . . A 110 ILE CA . 18602 1 584 . 1 1 60 60 ILE CB C 13 39.980 . . 1 . . . A 110 ILE CB . 18602 1 585 . 1 1 60 60 ILE CG1 C 13 29.095 . . 1 . . . A 110 ILE CG1 . 18602 1 586 . 1 1 60 60 ILE CG2 C 13 15.632 . . 1 . . . A 110 ILE CG2 . 18602 1 587 . 1 1 60 60 ILE CD1 C 13 15.147 . . 1 . . . A 110 ILE CD1 . 18602 1 588 . 1 1 60 60 ILE N N 15 121.333 . . 1 . . . A 110 ILE N . 18602 1 589 . 1 1 61 61 GLY H H 1 8.608 . . 1 . . . A 111 GLY H . 18602 1 590 . 1 1 61 61 GLY HA2 H 1 2.558 . . 2 . . . A 111 GLY HA2 . 18602 1 591 . 1 1 61 61 GLY HA3 H 1 5.053 . . 2 . . . A 111 GLY HA3 . 18602 1 592 . 1 1 61 61 GLY C C 13 170.769 . . 1 . . . A 111 GLY C . 18602 1 593 . 1 1 61 61 GLY CA C 13 44.072 . . 1 . . . A 111 GLY CA . 18602 1 594 . 1 1 61 61 GLY N N 15 111.458 . . 1 . . . A 111 GLY N . 18602 1 595 . 1 1 62 62 CYS H H 1 8.235 . . 1 . . . A 112 CYS H . 18602 1 596 . 1 1 62 62 CYS HA H 1 5.716 . . 1 . . . A 112 CYS HA . 18602 1 597 . 1 1 62 62 CYS HB2 H 1 2.487 . . 2 . . . A 112 CYS HB2 . 18602 1 598 . 1 1 62 62 CYS HB3 H 1 2.854 . . 2 . . . A 112 CYS HB3 . 18602 1 599 . 1 1 62 62 CYS C C 13 172.527 . . 1 . . . A 112 CYS C . 18602 1 600 . 1 1 62 62 CYS CA C 13 50.865 . . 1 . . . A 112 CYS CA . 18602 1 601 . 1 1 62 62 CYS CB C 13 46.082 . . 1 . . . A 112 CYS CB . 18602 1 602 . 1 1 62 62 CYS N N 15 112.973 . . 1 . . . A 112 CYS N . 18602 1 603 . 1 1 63 63 ARG H H 1 9.020 . . 1 . . . A 113 ARG H . 18602 1 604 . 1 1 63 63 ARG HA H 1 5.157 . . 1 . . . A 113 ARG HA . 18602 1 605 . 1 1 63 63 ARG HB2 H 1 1.854 . . 2 . . . A 113 ARG HB2 . 18602 1 606 . 1 1 63 63 ARG HB3 H 1 1.956 . . 2 . . . A 113 ARG HB3 . 18602 1 607 . 1 1 63 63 ARG HG2 H 1 1.649 . . 2 . . . A 113 ARG HG2 . 18602 1 608 . 1 1 63 63 ARG HG3 H 1 1.822 . . 2 . . . A 113 ARG HG3 . 18602 1 609 . 1 1 63 63 ARG HD2 H 1 3.101 . . 2 . . . A 113 ARG HD2 . 18602 1 610 . 1 1 63 63 ARG HD3 H 1 3.187 . . 2 . . . A 113 ARG HD3 . 18602 1 611 . 1 1 63 63 ARG C C 13 176.770 . . 1 . . . A 113 ARG C . 18602 1 612 . 1 1 63 63 ARG CA C 13 55.661 . . 1 . . . A 113 ARG CA . 18602 1 613 . 1 1 63 63 ARG CB C 13 35.308 . . 1 . . . A 113 ARG CB . 18602 1 614 . 1 1 63 63 ARG CG C 13 28.581 . . 1 . . . A 113 ARG CG . 18602 1 615 . 1 1 63 63 ARG CD C 13 42.707 . . 1 . . . A 113 ARG CD . 18602 1 616 . 1 1 63 63 ARG N N 15 120.456 . . 1 . . . A 113 ARG N . 18602 1 617 . 1 1 64 64 ILE H H 1 8.938 . . 1 . . . A 114 ILE H . 18602 1 618 . 1 1 64 64 ILE HA H 1 5.102 . . 1 . . . A 114 ILE HA . 18602 1 619 . 1 1 64 64 ILE HB H 1 1.467 . . 1 . . . A 114 ILE HB . 18602 1 620 . 1 1 64 64 ILE HG12 H 1 1.547 . . 2 . . . A 114 ILE HG12 . 18602 1 621 . 1 1 64 64 ILE HG13 H 1 1.206 . . 2 . . . A 114 ILE HG13 . 18602 1 622 . 1 1 64 64 ILE HG21 H 1 0.599 . . 1 . . . A 114 ILE HG21 . 18602 1 623 . 1 1 64 64 ILE HG22 H 1 0.599 . . 1 . . . A 114 ILE HG22 . 18602 1 624 . 1 1 64 64 ILE HG23 H 1 0.599 . . 1 . . . A 114 ILE HG23 . 18602 1 625 . 1 1 64 64 ILE HD11 H 1 0.741 . . 1 . . . A 114 ILE HD11 . 18602 1 626 . 1 1 64 64 ILE HD12 H 1 0.741 . . 1 . . . A 114 ILE HD12 . 18602 1 627 . 1 1 64 64 ILE HD13 H 1 0.741 . . 1 . . . A 114 ILE HD13 . 18602 1 628 . 1 1 64 64 ILE C C 13 175.068 . . 1 . . . A 114 ILE C . 18602 1 629 . 1 1 64 64 ILE CA C 13 60.679 . . 1 . . . A 114 ILE CA . 18602 1 630 . 1 1 64 64 ILE CB C 13 40.640 . . 1 . . . A 114 ILE CB . 18602 1 631 . 1 1 64 64 ILE CG1 C 13 27.055 . . 1 . . . A 114 ILE CG1 . 18602 1 632 . 1 1 64 64 ILE CG2 C 13 17.473 . . 1 . . . A 114 ILE CG2 . 18602 1 633 . 1 1 64 64 ILE CD1 C 13 14.510 . . 1 . . . A 114 ILE CD1 . 18602 1 634 . 1 1 64 64 ILE N N 15 123.705 . . 1 . . . A 114 ILE N . 18602 1 635 . 1 1 65 65 THR H H 1 8.752 . . 1 . . . A 115 THR H . 18602 1 636 . 1 1 65 65 THR HA H 1 4.854 . . 1 . . . A 115 THR HA . 18602 1 637 . 1 1 65 65 THR HB H 1 3.767 . . 1 . . . A 115 THR HB . 18602 1 638 . 1 1 65 65 THR HG21 H 1 0.847 . . 1 . . . A 115 THR HG21 . 18602 1 639 . 1 1 65 65 THR HG22 H 1 0.847 . . 1 . . . A 115 THR HG22 . 18602 1 640 . 1 1 65 65 THR HG23 H 1 0.847 . . 1 . . . A 115 THR HG23 . 18602 1 641 . 1 1 65 65 THR C C 13 173.410 . . 1 . . . A 115 THR C . 18602 1 642 . 1 1 65 65 THR CA C 13 61.577 . . 1 . . . A 115 THR CA . 18602 1 643 . 1 1 65 65 THR CB C 13 69.700 . . 1 . . . A 115 THR CB . 18602 1 644 . 1 1 65 65 THR CG2 C 13 20.487 . . 1 . . . A 115 THR CG2 . 18602 1 645 . 1 1 65 65 THR N N 15 126.850 . . 1 . . . A 115 THR N . 18602 1 646 . 1 1 66 66 VAL H H 1 9.049 . . 1 . . . A 116 VAL H . 18602 1 647 . 1 1 66 66 VAL HA H 1 4.901 . . 1 . . . A 116 VAL HA . 18602 1 648 . 1 1 66 66 VAL HB H 1 1.948 . . 1 . . . A 116 VAL HB . 18602 1 649 . 1 1 66 66 VAL HG11 H 1 0.898 . . 2 . . . A 116 VAL HG11 . 18602 1 650 . 1 1 66 66 VAL HG12 H 1 0.898 . . 2 . . . A 116 VAL HG12 . 18602 1 651 . 1 1 66 66 VAL HG13 H 1 0.898 . . 2 . . . A 116 VAL HG13 . 18602 1 652 . 1 1 66 66 VAL CA C 13 60.900 . . 1 . . . A 116 VAL CA . 18602 1 653 . 1 1 66 66 VAL CB C 13 34.359 . . 1 . . . A 116 VAL CB . 18602 1 654 . 1 1 66 66 VAL N N 15 125.632 . . 1 . . . A 116 VAL N . 18602 1 655 . 1 1 67 67 ASP H H 1 9.931 . . 1 . . . A 117 ASP H . 18602 1 656 . 1 1 67 67 ASP HA H 1 4.434 . . 1 . . . A 117 ASP HA . 18602 1 657 . 1 1 67 67 ASP HB2 H 1 2.632 . . 2 . . . A 117 ASP HB2 . 18602 1 658 . 1 1 67 67 ASP HB3 H 1 2.894 . . 2 . . . A 117 ASP HB3 . 18602 1 659 . 1 1 67 67 ASP CA C 13 56.082 . . 1 . . . A 117 ASP CA . 18602 1 660 . 1 1 67 67 ASP CB C 13 39.595 . . 1 . . . A 117 ASP CB . 18602 1 661 . 1 1 67 67 ASP N N 15 130.901 . . 1 . . . A 117 ASP N . 18602 1 662 . 1 1 68 68 GLY H H 1 8.590 . . 1 . . . A 118 GLY H . 18602 1 663 . 1 1 68 68 GLY HA2 H 1 3.478 . . 2 . . . A 118 GLY HA2 . 18602 1 664 . 1 1 68 68 GLY HA3 H 1 4.139 . . 2 . . . A 118 GLY HA3 . 18602 1 665 . 1 1 68 68 GLY C C 13 177.250 . . 1 . . . A 118 GLY C . 18602 1 666 . 1 1 68 68 GLY CA C 13 45.253 . . 1 . . . A 118 GLY CA . 18602 1 667 . 1 1 68 68 GLY N N 15 102.511 . . 1 . . . A 118 GLY N . 18602 1 668 . 1 1 69 69 LYS H H 1 7.821 . . 1 . . . A 119 LYS H . 18602 1 669 . 1 1 69 69 LYS HA H 1 4.666 . . 1 . . . A 119 LYS HA . 18602 1 670 . 1 1 69 69 LYS HB2 H 1 1.718 . . 2 . . . A 119 LYS HB2 . 18602 1 671 . 1 1 69 69 LYS HB3 H 1 1.718 . . 2 . . . A 119 LYS HB3 . 18602 1 672 . 1 1 69 69 LYS HG2 H 1 1.397 . . 2 . . . A 119 LYS HG2 . 18602 1 673 . 1 1 69 69 LYS HG3 H 1 1.301 . . 2 . . . A 119 LYS HG3 . 18602 1 674 . 1 1 69 69 LYS HD2 H 1 1.658 . . 2 . . . A 119 LYS HD2 . 18602 1 675 . 1 1 69 69 LYS HE2 H 1 2.953 . . 2 . . . A 119 LYS HE2 . 18602 1 676 . 1 1 69 69 LYS HE3 H 1 2.953 . . 2 . . . A 119 LYS HE3 . 18602 1 677 . 1 1 69 69 LYS C C 13 175.773 . . 1 . . . A 119 LYS C . 18602 1 678 . 1 1 69 69 LYS CA C 13 53.994 . . 1 . . . A 119 LYS CA . 18602 1 679 . 1 1 69 69 LYS CB C 13 34.226 . . 1 . . . A 119 LYS CB . 18602 1 680 . 1 1 69 69 LYS CG C 13 24.536 . . 1 . . . A 119 LYS CG . 18602 1 681 . 1 1 69 69 LYS CD C 13 29.029 . . 1 . . . A 119 LYS CD . 18602 1 682 . 1 1 69 69 LYS CE C 13 41.902 . . 1 . . . A 119 LYS CE . 18602 1 683 . 1 1 69 69 LYS N N 15 121.052 . . 1 . . . A 119 LYS N . 18602 1 684 . 1 1 70 70 VAL H H 1 9.113 . . 1 . . . A 120 VAL H . 18602 1 685 . 1 1 70 70 VAL HA H 1 3.900 . . 1 . . . A 120 VAL HA . 18602 1 686 . 1 1 70 70 VAL HB H 1 2.036 . . 1 . . . A 120 VAL HB . 18602 1 687 . 1 1 70 70 VAL HG11 H 1 1.015 . . 2 . . . A 120 VAL HG11 . 18602 1 688 . 1 1 70 70 VAL HG12 H 1 1.015 . . 2 . . . A 120 VAL HG12 . 18602 1 689 . 1 1 70 70 VAL HG13 H 1 1.015 . . 2 . . . A 120 VAL HG13 . 18602 1 690 . 1 1 70 70 VAL C C 13 176.643 . . 1 . . . A 120 VAL C . 18602 1 691 . 1 1 70 70 VAL CA C 13 65.032 . . 1 . . . A 120 VAL CA . 18602 1 692 . 1 1 70 70 VAL CB C 13 31.352 . . 1 . . . A 120 VAL CB . 18602 1 693 . 1 1 70 70 VAL CG1 C 13 21.500 . . 2 . . . A 120 VAL CG1 . 18602 1 694 . 1 1 70 70 VAL N N 15 127.727 . . 1 . . . A 120 VAL N . 18602 1 695 . 1 1 71 71 ARG H H 1 8.948 . . 1 . . . A 121 ARG H . 18602 1 696 . 1 1 71 71 ARG HA H 1 4.645 . . 1 . . . A 121 ARG HA . 18602 1 697 . 1 1 71 71 ARG HB2 H 1 2.105 . . 2 . . . A 121 ARG HB2 . 18602 1 698 . 1 1 71 71 ARG HB3 H 1 1.377 . . 2 . . . A 121 ARG HB3 . 18602 1 699 . 1 1 71 71 ARG HG2 H 1 1.746 . . 2 . . . A 121 ARG HG2 . 18602 1 700 . 1 1 71 71 ARG HD2 H 1 3.268 . . 2 . . . A 121 ARG HD2 . 18602 1 701 . 1 1 71 71 ARG HD3 H 1 3.131 . . 2 . . . A 121 ARG HD3 . 18602 1 702 . 1 1 71 71 ARG C C 13 175.706 . . 1 . . . A 121 ARG C . 18602 1 703 . 1 1 71 71 ARG CA C 13 53.723 . . 1 . . . A 121 ARG CA . 18602 1 704 . 1 1 71 71 ARG CB C 13 32.541 . . 1 . . . A 121 ARG CB . 18602 1 705 . 1 1 71 71 ARG CG C 13 26.207 . . 1 . . . A 121 ARG CG . 18602 1 706 . 1 1 71 71 ARG CD C 13 40.856 . . 1 . . . A 121 ARG CD . 18602 1 707 . 1 1 71 71 ARG N N 15 127.209 . . 1 . . . A 121 ARG N . 18602 1 708 . 1 1 72 72 ALA H H 1 7.698 . . 1 . . . A 122 ALA H . 18602 1 709 . 1 1 72 72 ALA HA H 1 4.576 . . 1 . . . A 122 ALA HA . 18602 1 710 . 1 1 72 72 ALA HB1 H 1 1.166 . . 1 . . . A 122 ALA HB1 . 18602 1 711 . 1 1 72 72 ALA HB2 H 1 1.166 . . 1 . . . A 122 ALA HB2 . 18602 1 712 . 1 1 72 72 ALA HB3 H 1 1.166 . . 1 . . . A 122 ALA HB3 . 18602 1 713 . 1 1 72 72 ALA C C 13 174.973 . . 1 . . . A 122 ALA C . 18602 1 714 . 1 1 72 72 ALA CA C 13 52.368 . . 1 . . . A 122 ALA CA . 18602 1 715 . 1 1 72 72 ALA CB C 13 23.018 . . 1 . . . A 122 ALA CB . 18602 1 716 . 1 1 72 72 ALA N N 15 120.256 . . 1 . . . A 122 ALA N . 18602 1 717 . 1 1 73 73 GLU H H 1 8.386 . . 1 . . . A 123 GLU H . 18602 1 718 . 1 1 73 73 GLU HA H 1 5.168 . . 1 . . . A 123 GLU HA . 18602 1 719 . 1 1 73 73 GLU HB2 H 1 2.182 . . 2 . . . A 123 GLU HB2 . 18602 1 720 . 1 1 73 73 GLU HB3 H 1 1.912 . . 2 . . . A 123 GLU HB3 . 18602 1 721 . 1 1 73 73 GLU HG2 H 1 2.372 . . 2 . . . A 123 GLU HG2 . 18602 1 722 . 1 1 73 73 GLU HG3 H 1 2.115 . . 2 . . . A 123 GLU HG3 . 18602 1 723 . 1 1 73 73 GLU CA C 13 56.313 . . 1 . . . A 123 GLU CA . 18602 1 724 . 1 1 73 73 GLU CB C 13 30.917 . . 1 . . . A 123 GLU CB . 18602 1 725 . 1 1 73 73 GLU CG C 13 36.961 . . 1 . . . A 123 GLU CG . 18602 1 726 . 1 1 73 73 GLU N N 15 122.328 . . 1 . . . A 123 GLU N . 18602 1 727 . 1 1 74 74 ARG H H 1 8.413 . . 1 . . . A 124 ARG H . 18602 1 728 . 1 1 74 74 ARG HA H 1 4.554 . . 1 . . . A 124 ARG HA . 18602 1 729 . 1 1 74 74 ARG HB2 H 1 1.738 . . 2 . . . A 124 ARG HB2 . 18602 1 730 . 1 1 74 74 ARG C C 13 174.794 . . 1 . . . A 124 ARG C . 18602 1 731 . 1 1 74 74 ARG CA C 13 57.204 . . 1 . . . A 124 ARG CA . 18602 1 732 . 1 1 74 74 ARG CB C 13 32.544 . . 1 . . . A 124 ARG CB . 18602 1 733 . 1 1 74 74 ARG N N 15 127.001 . . 1 . . . A 124 ARG N . 18602 1 734 . 1 1 75 75 VAL H H 1 8.934 . . 1 . . . A 125 VAL H . 18602 1 735 . 1 1 75 75 VAL HA H 1 4.737 . . 1 . . . A 125 VAL HA . 18602 1 736 . 1 1 75 75 VAL HB H 1 1.914 . . 1 . . . A 125 VAL HB . 18602 1 737 . 1 1 75 75 VAL HG11 H 1 0.966 . . 2 . . . A 125 VAL HG11 . 18602 1 738 . 1 1 75 75 VAL HG12 H 1 0.966 . . 2 . . . A 125 VAL HG12 . 18602 1 739 . 1 1 75 75 VAL HG13 H 1 0.966 . . 2 . . . A 125 VAL HG13 . 18602 1 740 . 1 1 75 75 VAL HG21 H 1 0.784 . . 2 . . . A 125 VAL HG21 . 18602 1 741 . 1 1 75 75 VAL HG22 H 1 0.784 . . 2 . . . A 125 VAL HG22 . 18602 1 742 . 1 1 75 75 VAL HG23 H 1 0.784 . . 2 . . . A 125 VAL HG23 . 18602 1 743 . 1 1 75 75 VAL C C 13 175.220 . . 1 . . . A 125 VAL C . 18602 1 744 . 1 1 75 75 VAL CA C 13 61.079 . . 1 . . . A 125 VAL CA . 18602 1 745 . 1 1 75 75 VAL CB C 13 34.170 . . 1 . . . A 125 VAL CB . 18602 1 746 . 1 1 75 75 VAL CG1 C 13 21.410 . . 2 . . . A 125 VAL CG1 . 18602 1 747 . 1 1 75 75 VAL CG2 C 13 20.743 . . 2 . . . A 125 VAL CG2 . 18602 1 748 . 1 1 75 75 VAL N N 15 130.155 . . 1 . . . A 125 VAL N . 18602 1 749 . 1 1 76 76 SER H H 1 8.947 . . 1 . . . A 126 SER H . 18602 1 750 . 1 1 76 76 SER HA H 1 4.702 . . 1 . . . A 126 SER HA . 18602 1 751 . 1 1 76 76 SER HB2 H 1 3.680 . . 2 . . . A 126 SER HB2 . 18602 1 752 . 1 1 76 76 SER HB3 H 1 3.644 . . 2 . . . A 126 SER HB3 . 18602 1 753 . 1 1 76 76 SER C C 13 172.856 . . 1 . . . A 126 SER C . 18602 1 754 . 1 1 76 76 SER CA C 13 55.974 . . 1 . . . A 126 SER CA . 18602 1 755 . 1 1 76 76 SER CB C 13 65.862 . . 1 . . . A 126 SER CB . 18602 1 756 . 1 1 76 76 SER N N 15 122.379 . . 1 . . . A 126 SER N . 18602 1 757 . 1 1 77 77 ASN H H 1 8.660 . . 1 . . . A 127 ASN H . 18602 1 758 . 1 1 77 77 ASN HA H 1 5.477 . . 1 . . . A 127 ASN HA . 18602 1 759 . 1 1 77 77 ASN HB2 H 1 2.746 . . 2 . . . A 127 ASN HB2 . 18602 1 760 . 1 1 77 77 ASN HB3 H 1 2.746 . . 2 . . . A 127 ASN HB3 . 18602 1 761 . 1 1 77 77 ASN C C 13 173.524 . . 1 . . . A 127 ASN C . 18602 1 762 . 1 1 77 77 ASN CA C 13 52.530 . . 1 . . . A 127 ASN CA . 18602 1 763 . 1 1 77 77 ASN CB C 13 39.920 . . 1 . . . A 127 ASN CB . 18602 1 764 . 1 1 77 77 ASN N N 15 125.324 . . 1 . . . A 127 ASN N . 18602 1 765 . 1 1 78 78 GLU H H 1 7.635 . . 1 . . . A 128 GLU H . 18602 1 766 . 1 1 78 78 GLU HA H 1 4.449 . . 1 . . . A 128 GLU HA . 18602 1 767 . 1 1 78 78 GLU HB2 H 1 2.172 . . 2 . . . A 128 GLU HB2 . 18602 1 768 . 1 1 78 78 GLU HB3 H 1 1.872 . . 2 . . . A 128 GLU HB3 . 18602 1 769 . 1 1 78 78 GLU HG2 H 1 2.195 . . 2 . . . A 128 GLU HG2 . 18602 1 770 . 1 1 78 78 GLU HG3 H 1 2.122 . . 2 . . . A 128 GLU HG3 . 18602 1 771 . 1 1 78 78 GLU C C 13 173.657 . . 1 . . . A 128 GLU C . 18602 1 772 . 1 1 78 78 GLU CA C 13 54.949 . . 1 . . . A 128 GLU CA . 18602 1 773 . 1 1 78 78 GLU CB C 13 31.219 . . 1 . . . A 128 GLU CB . 18602 1 774 . 1 1 78 78 GLU CG C 13 35.227 . . 1 . . . A 128 GLU CG . 18602 1 775 . 1 1 78 78 GLU N N 15 120.936 . . 1 . . . A 128 GLU N . 18602 1 776 . 1 1 79 79 VAL H H 1 8.069 . . 1 . . . A 129 VAL H . 18602 1 777 . 1 1 79 79 VAL HA H 1 3.636 . . 1 . . . A 129 VAL HA . 18602 1 778 . 1 1 79 79 VAL HB H 1 1.879 . . 1 . . . A 129 VAL HB . 18602 1 779 . 1 1 79 79 VAL HG11 H 1 0.991 . . 2 . . . A 129 VAL HG11 . 18602 1 780 . 1 1 79 79 VAL HG12 H 1 0.991 . . 2 . . . A 129 VAL HG12 . 18602 1 781 . 1 1 79 79 VAL HG13 H 1 0.991 . . 2 . . . A 129 VAL HG13 . 18602 1 782 . 1 1 79 79 VAL HG21 H 1 0.891 . . 2 . . . A 129 VAL HG21 . 18602 1 783 . 1 1 79 79 VAL HG22 H 1 0.891 . . 2 . . . A 129 VAL HG22 . 18602 1 784 . 1 1 79 79 VAL HG23 H 1 0.891 . . 2 . . . A 129 VAL HG23 . 18602 1 785 . 1 1 79 79 VAL C C 13 176.831 . . 1 . . . A 129 VAL C . 18602 1 786 . 1 1 79 79 VAL CA C 13 64.109 . . 1 . . . A 129 VAL CA . 18602 1 787 . 1 1 79 79 VAL CB C 13 31.488 . . 1 . . . A 129 VAL CB . 18602 1 788 . 1 1 79 79 VAL CG1 C 13 21.425 . . 2 . . . A 129 VAL CG1 . 18602 1 789 . 1 1 79 79 VAL CG2 C 13 20.839 . . 2 . . . A 129 VAL CG2 . 18602 1 790 . 1 1 79 79 VAL N N 15 119.528 . . 1 . . . A 129 VAL N . 18602 1 791 . 1 1 80 80 ASN H H 1 8.221 . . 1 . . . A 130 ASN H . 18602 1 792 . 1 1 80 80 ASN HA H 1 4.380 . . 1 . . . A 130 ASN HA . 18602 1 793 . 1 1 80 80 ASN HB2 H 1 2.749 . . 2 . . . A 130 ASN HB2 . 18602 1 794 . 1 1 80 80 ASN HB3 H 1 2.877 . . 2 . . . A 130 ASN HB3 . 18602 1 795 . 1 1 80 80 ASN C C 13 175.382 . . 1 . . . A 130 ASN C . 18602 1 796 . 1 1 80 80 ASN CA C 13 54.237 . . 1 . . . A 130 ASN CA . 18602 1 797 . 1 1 80 80 ASN CB C 13 37.074 . . 1 . . . A 130 ASN CB . 18602 1 798 . 1 1 80 80 ASN N N 15 123.643 . . 1 . . . A 130 ASN N . 18602 1 799 . 1 1 81 81 ALA H H 1 7.612 . . 1 . . . A 131 ALA H . 18602 1 800 . 1 1 81 81 ALA HA H 1 3.881 . . 1 . . . A 131 ALA HA . 18602 1 801 . 1 1 81 81 ALA HB1 H 1 1.264 . . 1 . . . A 131 ALA HB1 . 18602 1 802 . 1 1 81 81 ALA HB2 H 1 1.264 . . 1 . . . A 131 ALA HB2 . 18602 1 803 . 1 1 81 81 ALA HB3 H 1 1.264 . . 1 . . . A 131 ALA HB3 . 18602 1 804 . 1 1 81 81 ALA CA C 13 54.281 . . 1 . . . A 131 ALA CA . 18602 1 805 . 1 1 81 81 ALA CB C 13 20.170 . . 1 . . . A 131 ALA CB . 18602 1 806 . 1 1 81 81 ALA N N 15 121.390 . . 1 . . . A 131 ALA N . 18602 1 807 . 1 1 84 84 TYR HA H 1 4.878 . . 1 . . . A 134 TYR HA . 18602 1 808 . 1 1 84 84 TYR HB2 H 1 2.702 . . 2 . . . A 134 TYR HB2 . 18602 1 809 . 1 1 84 84 TYR HB3 H 1 2.883 . . 2 . . . A 134 TYR HB3 . 18602 1 810 . 1 1 84 84 TYR C C 13 175.088 . . 1 . . . A 134 TYR C . 18602 1 811 . 1 1 84 84 TYR CA C 13 53.371 . . 1 . . . A 134 TYR CA . 18602 1 812 . 1 1 84 84 TYR CB C 13 38.941 . . 1 . . . A 134 TYR CB . 18602 1 813 . 1 1 85 85 CYS CA C 13 59.821 . . 1 . . . A 135 CYS CA . 18602 1 814 . 1 1 85 85 CYS CB C 13 41.739 . . 1 . . . A 135 CYS CB . 18602 1 815 . 1 1 88 88 LYS HA H 1 4.446 . . 1 . . . A 138 LYS HA . 18602 1 816 . 1 1 88 88 LYS HB2 H 1 2.179 . . 2 . . . A 138 LYS HB2 . 18602 1 817 . 1 1 88 88 LYS HB3 H 1 2.179 . . 2 . . . A 138 LYS HB3 . 18602 1 818 . 1 1 88 88 LYS CA C 13 62.388 . . 1 . . . A 138 LYS CA . 18602 1 819 . 1 1 88 88 LYS CB C 13 32.851 . . 1 . . . A 138 LYS CB . 18602 1 820 . 1 1 89 89 SER CA C 13 59.821 . . 1 . . . A 139 SER CA . 18602 1 821 . 1 1 89 89 SER CB C 13 64.636 . . 1 . . . A 139 SER CB . 18602 1 822 . 1 1 90 90 ALA CA C 13 52.641 . . 1 . . . A 140 ALA CA . 18602 1 823 . 1 1 90 90 ALA CB C 13 19.427 . . 1 . . . A 140 ALA CB . 18602 1 stop_ save_